NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
610729 |
2n9v   |
18565 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
!
! peak name 3dC10
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40600.000000
! from proton shift 0.205000
! to proton shift 3.477000
! from heavyatom shift 13.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 10
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name ha) 3.650000 1.850000 1.850000
or (resid 27 and resn ile and name hd*) (resid 54 and resn ile and name ha)
!
! peak name 3dC100
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 311000.000000
! from proton shift 4.091000
! to proton shift 1.244000
! from heavyatom shift 66.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 100
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name ha) (resid 75 and resn thr and name hg2#) 2.500000 0.700000 0.700000
!
! peak name 3dC1000
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97600.000000
! from proton shift 3.235000
! to proton shift 4.466000
! from heavyatom shift 36.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn PHE and name hb*) (resid 70 and resn phe and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1002
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 176000.000000
! from proton shift 3.216000
! to proton shift 0.952000
! from heavyatom shift 36.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1002
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn PHE and name hb*) (resid 54 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC1004
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 2.637000
! to proton shift 4.370000
! from heavyatom shift 40.510000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1004
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn ASP and name hb*) (resid 41 and resn asp and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1005
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 1.522000
! to proton shift 1.056000
! from heavyatom shift 41.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1005
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1006
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.528000
! to proton shift 0.953000
! from heavyatom shift 41.483000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1006
! note degeneracy 95, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg) 2.800000 1.000000 1.000000
or (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hg2#)
!
! peak name 3dC1007
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 1.519000
! to proton shift 1.165000
! from heavyatom shift 41.630000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1007
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000
or (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name hg)
or (resid 73 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*)
!
! peak name 3dC1008
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64100.000000
! from proton shift 1.472000
! to proton shift 4.100000
! from heavyatom shift 41.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1008
! note degeneracy 135, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha)
!
! peak name 3dC1009
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.018000
! to proton shift 3.768000
! from heavyatom shift 41.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1009
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC101
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 4.125000
! to proton shift 2.019000
! from heavyatom shift 66.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 101
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1010
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27200.000000
! from proton shift 1.468000
! to proton shift 3.933000
! from heavyatom shift 41.013000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1010
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 47 and resn met and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1011
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46700.000000
! from proton shift 1.989000
! to proton shift 3.924000
! from heavyatom shift 40.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1011
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1012
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98800.000000
! from proton shift 1.890000
! to proton shift 0.893000
! from heavyatom shift 39.185000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1012
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hb) (resid 39 and resn ile and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1013
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79100.000000
! from proton shift 1.893000
! to proton shift 1.598000
! from heavyatom shift 39.193000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1013
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hb) (resid 39 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC1018
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.004000
! to proton shift 0.897000
! from heavyatom shift 41.003000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1018
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC1019
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63100.000000
! from proton shift 2.007000
! to proton shift 4.106000
! from heavyatom shift 41.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1019
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha)
!
! peak name 3dC102
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 287000.000000
! from proton shift 4.122000
! to proton shift 2.321000
! from heavyatom shift 66.174000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 102
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1020
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 54100.000000
! from proton shift 1.590000
! to proton shift 0.881000
! from heavyatom shift 29.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1020
! note degeneracy 100, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn GLU and name hb*) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1021
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 1.592000
! to proton shift 2.754000
! from heavyatom shift 29.576000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1021
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hd*) (resid 10 and resn LYS and name he*) 2.550000 0.750000 0.750000
!
! peak name 3dC1024
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 1.897000
! to proton shift 3.820000
! from heavyatom shift 28.827000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1024
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn glu and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1025
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 3.481000
! to proton shift 4.196000
! from heavyatom shift 28.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1025
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn HIS and name hb*) (resid 48 and resn his and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1026
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 0.900000
! to proton shift 1.154000
! from heavyatom shift 28.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1026
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1029
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 45300.000000
! from proton shift 0.968000
! to proton shift 1.156000
! from heavyatom shift 27.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1029
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 73 and resn leu and name hg) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC103
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 333000.000000
! from proton shift 4.093000
! to proton shift 4.279000
! from heavyatom shift 66.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 103
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name ha) (resid 75 and resn thr and name hb) 2.250000 0.450000 0.450000
!
! peak name 3dC1030
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 11300.000000
! from proton shift 0.973000
! to proton shift 1.754000
! from heavyatom shift 27.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1030
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 54 and resn ile and name hg11) 3.900000 2.100000 2.100000
!
! peak name 3dC1031
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 0.964000
! to proton shift 1.420000
! from heavyatom shift 27.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1031
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1032
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 1.499000
! to proton shift 0.882000
! from heavyatom shift 27.393000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1032
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hg) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1034
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 59100.000000
! from proton shift 3.832000
! to proton shift 0.530000
! from heavyatom shift 58.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1034
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name ha) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dC1035
! bounds 3.300000 1.800000
! likelihood 0.940000
! intensity 137000.000000
! from proton shift 3.852000
! to proton shift 3.194000
! from heavyatom shift 58.215000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1035
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name ha) (resid 70 and resn PHE and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1036
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 139000.000000
! from proton shift 3.679000
! to proton shift 0.858000
! from heavyatom shift 59.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1036
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1037
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 3.680000
! to proton shift 2.347000
! from heavyatom shift 60.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1037
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1038
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87300.000000
! from proton shift 3.677000
! to proton shift 2.514000
! from heavyatom shift 60.058000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1038
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 78 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1039
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74000.000000
! from proton shift 3.687000
! to proton shift 1.796000
! from heavyatom shift 60.102000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1039
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC104
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67700.000000
! from proton shift 2.767000
! to proton shift 0.341000
! from heavyatom shift 41.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 104
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1041
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 107000.000000
! from proton shift 4.206000
! to proton shift 0.408000
! from heavyatom shift 60.495000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1041
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1042
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 261000.000000
! from proton shift 4.284000
! to proton shift 0.757000
! from heavyatom shift 60.675000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1042
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name ha) (resid 3 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1043
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 218000.000000
! from proton shift 4.283000
! to proton shift 0.981000
! from heavyatom shift 60.688000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1043
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name ha) (resid 3 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1045
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 185000.000000
! from proton shift 4.204000
! to proton shift 3.351000
! from heavyatom shift 60.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1045
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name ha) (resid 48 and resn HIS and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1046
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.205000
! to proton shift 3.462000
! from heavyatom shift 60.572000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1046
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name ha) (resid 48 and resn HIS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1049
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39400.000000
! from proton shift 4.162000
! to proton shift 0.898000
! from heavyatom shift 45.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1049
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn GLY and name ha*) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC105
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 57400.000000
! from proton shift 2.765000
! to proton shift 3.824000
! from heavyatom shift 41.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 105
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1051
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 4.524000
! to proton shift 2.172000
! from heavyatom shift 55.022000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1051
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hb*)
!
! peak name 3dC1052
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20600.000000
! from proton shift 4.502000
! to proton shift 2.070000
! from heavyatom shift 54.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1052
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1053
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 4.522000
! to proton shift 1.408000
! from heavyatom shift 54.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1053
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name ha) (resid 69 and resn ala and name hb#) 2.500000 0.700000 0.700000
!
! peak name 3dC1054
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 204000.000000
! from proton shift 4.230000
! to proton shift 1.775000
! from heavyatom shift 55.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1054
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1055
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 3.967000
! to proton shift 3.465000
! from heavyatom shift 47.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1055
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn GLY and name ha*) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1056
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54700.000000
! from proton shift 1.441000
! to proton shift 4.220000
! from heavyatom shift 43.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1056
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1057
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54400.000000
! from proton shift 1.805000
! to proton shift 4.223000
! from heavyatom shift 43.579000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1057
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1058
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 1.804000
! to proton shift 1.434000
! from heavyatom shift 43.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1058
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn leu and name hg) 2.250000 0.450000 0.450000
!
! peak name 3dC106
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 1.780000
! to proton shift 0.342000
! from heavyatom shift 41.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 106
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1060
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65800.000000
! from proton shift 2.075000
! to proton shift 0.926000
! from heavyatom shift 44.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1060
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1062
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65200.000000
! from proton shift 2.080000
! to proton shift 3.807000
! from heavyatom shift 44.113000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1062
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1064
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97300.000000
! from proton shift 3.295000
! to proton shift 1.450000
! from heavyatom shift 43.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1064
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1065
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 253000.000000
! from proton shift 3.177000
! to proton shift 1.954000
! from heavyatom shift 43.462000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1065
! note degeneracy 102, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hd*) (resid 71 and resn ARG and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1067
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 43200.000000
! from proton shift 2.129000
! to proton shift 1.773000
! from heavyatom shift 34.139000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1067
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1068
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 2.231000
! to proton shift 3.677000
! from heavyatom shift 32.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1068
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1069
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 130000.000000
! from proton shift 2.354000
! to proton shift 4.089000
! from heavyatom shift 29.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1069
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 59 and resn glu and name ha) 2.550000 0.750000 0.750000
or (resid 78 and resn GLU and name hb*) (resid 75 and resn thr and name ha)
!
! peak name 3dC107
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97400.000000
! from proton shift 1.412000
! to proton shift 0.341000
! from heavyatom shift 41.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 107
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1070
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 2.248000
! to proton shift 4.238000
! from heavyatom shift 29.831000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1070
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hb*) (resid 65 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1071
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47100.000000
! from proton shift 2.227000
! to proton shift 3.923000
! from heavyatom shift 30.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1071
! note degeneracy 102, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hb*) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1072
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 2.021000
! to proton shift 3.731000
! from heavyatom shift 27.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1072
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC1073
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 2.014000
! to proton shift 4.000000
! from heavyatom shift 27.180000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1073
! note degeneracy 88, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC1074
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 86700.000000
! from proton shift 2.018000
! to proton shift 3.388000
! from heavyatom shift 27.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1074
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hg*) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC1075
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 264000.000000
! from proton shift 2.023000
! to proton shift 2.316000
! from heavyatom shift 27.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1075
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hg*) (resid 19 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1076
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 1.716000
! to proton shift 0.738000
! from heavyatom shift 27.429000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1076
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000
or (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hd*)
!
! peak name 3dC1078
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 3.850000
! to proton shift 4.497000
! from heavyatom shift 63.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1078
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn SER and name hb*) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC108
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16800.000000
! from proton shift 1.408000
! to proton shift 3.673000
! from heavyatom shift 41.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 108
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 25 and resn lys and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1080
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 114000.000000
! from proton shift 4.295000
! to proton shift 4.014000
! from heavyatom shift 68.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1080
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 72 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1084
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29500.000000
! from proton shift 3.412000
! to proton shift 1.643000
! from heavyatom shift 66.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1084
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name ha) (resid 31 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1085
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 3.493000
! to proton shift 0.953000
! from heavyatom shift 66.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1085
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hg2#) 2.500000 0.700000 0.700000
or (resid 8 and resn val and name ha) (resid 8 and resn VAL and name hg*)
!
! peak name 3dC1086
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41200.000000
! from proton shift 3.483000
! to proton shift 3.116000
! from heavyatom shift 66.319000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1086
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1087
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69200.000000
! from proton shift 3.492000
! to proton shift 3.318000
! from heavyatom shift 66.255000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1087
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name ha) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC109
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 1.776000
! to proton shift 3.673000
! from heavyatom shift 41.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 109
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1094
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 39200.000000
! from proton shift 4.105000
! to proton shift 0.905000
! from heavyatom shift 62.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1094
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name ha) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1097
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 4.199000
! to proton shift 0.844000
! from heavyatom shift 61.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1097
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name ha) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1098
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97900.000000
! from proton shift 4.202000
! to proton shift 1.921000
! from heavyatom shift 61.717000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1098
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name ha) (resid 15 and resn val and name hb) 2.550000 0.750000 0.750000
!
! peak name 3dC1099
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 4.066000
! to proton shift 3.323000
! from heavyatom shift 61.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1099
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC11
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 17400.000000
! from proton shift 0.204000
! to proton shift 3.110000
! from heavyatom shift 13.453000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 11
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC110
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 117000.000000
! from proton shift 1.885000
! to proton shift 4.168000
! from heavyatom shift 42.189000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 110
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn LEU and name hb*) (resid 56 and resn leu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1100
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 459000.000000
! from proton shift 4.360000
! to proton shift 1.267000
! from heavyatom shift 51.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1100
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name ha) (resid 13 and resn ala and name hb#) 2.500000 0.700000 0.700000
!
! peak name 3dC1101
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 4.008000
! to proton shift 2.012000
! from heavyatom shift 51.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1101
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1102
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 440000.000000
! from proton shift 4.402000
! to proton shift 0.841000
! from heavyatom shift 54.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1102
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name ha) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1103
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 4.402000
! to proton shift 1.549000
! from heavyatom shift 54.247000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1103
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name ha) (resid 83 and resn LEU and name hb*) 2.250000 0.450000 0.450000
or (resid 83 and resn leu and name ha) (resid 83 and resn leu and name hg)
!
! peak name 3dC1106
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 4.037000
! to proton shift 1.400000
! from heavyatom shift 56.725000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1106
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name ha) (resid 12 and resn ARG and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1107
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 4.038000
! to proton shift 1.616000
! from heavyatom shift 56.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1107
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name ha) (resid 12 and resn ARG and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1109
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 4.185000
! to proton shift 1.895000
! from heavyatom shift 56.508000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1109
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name ha) (resid 84 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1110
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87600.000000
! from proton shift 4.182000
! to proton shift 2.099000
! from heavyatom shift 56.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1110
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name ha) (resid 84 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1111
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79600.000000
! from proton shift 3.553000
! to proton shift 1.425000
! from heavyatom shift 57.416000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1111
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 3.560000
! to proton shift 0.959000
! from heavyatom shift 57.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1112
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 73 and resn leu and name hg) 3.400000 1.600000 1.600000
!
! peak name 3dC1113
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 3.538000
! to proton shift 1.876000
! from heavyatom shift 57.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1113
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1114
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 3.554000
! to proton shift 2.134000
! from heavyatom shift 57.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1114
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37600.000000
! from proton shift 3.554000
! to proton shift 2.341000
! from heavyatom shift 57.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1115
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1116
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74000.000000
! from proton shift 3.554000
! to proton shift 2.469000
! from heavyatom shift 57.458000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1116
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 76 and resn GLN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1117
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 4.353000
! to proton shift 0.893000
! from heavyatom shift 60.132000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1117
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC112
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 27500.000000
! from proton shift 1.796000
! to proton shift 2.113000
! from heavyatom shift 33.515000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 112
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 44 and resn GLN and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1121
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 4.278000
! to proton shift 3.005000
! from heavyatom shift 59.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1121
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name ha) (resid 35 and resn HIS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1123
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 35700.000000
! from proton shift 3.731000
! to proton shift 0.800000
! from heavyatom shift 63.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1123
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn SER and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1124
! bounds 2.700000 1.800000
! likelihood 0.950000
! intensity 468000.000000
! from proton shift 3.690000
! to proton shift 1.888000
! from heavyatom shift 60.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1124
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name ha) (resid 74 and resn ARG and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1125
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87600.000000
! from proton shift 3.940000
! to proton shift 3.120000
! from heavyatom shift 60.841000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1125
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name ha) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1126
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80500.000000
! from proton shift 3.814000
! to proton shift 1.652000
! from heavyatom shift 61.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1126
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name ha) (resid 43 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1129
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 126000.000000
! from proton shift 3.943000
! to proton shift 1.776000
! from heavyatom shift 60.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1129
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name ha) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC113
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 1.795000
! to proton shift 2.471000
! from heavyatom shift 33.512000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 113
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1130
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74100.000000
! from proton shift 3.891000
! to proton shift 1.740000
! from heavyatom shift 50.294000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1130
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1131
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 3.885000
! to proton shift 0.984000
! from heavyatom shift 50.269000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1131
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1)
!
! peak name 3dC1132
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56700.000000
! from proton shift 3.882000
! to proton shift 2.037000
! from heavyatom shift 50.256000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1132
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1135
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44700.000000
! from proton shift 1.463000
! to proton shift 3.696000
! from heavyatom shift 28.274000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1135
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hg*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hg*) (resid 74 and resn arg and name ha)
!
! peak name 3dC1136
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 311000.000000
! from proton shift 1.477000
! to proton shift 1.899000
! from heavyatom shift 28.895000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1136
! note degeneracy 102, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn GLN and name hb*) (resid 61 and resn GLN and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1137
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 2.267000
! to proton shift 2.682000
! from heavyatom shift 28.155000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1137
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hb*) (resid 44 and resn GLN and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1139
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41700.000000
! from proton shift 1.386000
! to proton shift 4.027000
! from heavyatom shift 29.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1139
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hb*) (resid 12 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC114
! bounds 2.700000 1.800000
! likelihood 0.960000
! intensity 185000.000000
! from proton shift 2.421000
! to proton shift 4.035000
! from heavyatom shift 33.592000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 114
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn GLN and name hg*) (resid 32 and resn gln and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1140
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 1.649000
! to proton shift 2.885000
! from heavyatom shift 29.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1140
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hd*) (resid 79 and resn LYS and name he*) 2.550000 0.750000 0.750000
!
! peak name 3dC1141
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29600.000000
! from proton shift 2.137000
! to proton shift 0.863000
! from heavyatom shift 37.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1141
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1143
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54800.000000
! from proton shift 1.888000
! to proton shift 1.051000
! from heavyatom shift 41.708000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1143
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1144
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88200.000000
! from proton shift 3.157000
! to proton shift 1.421000
! from heavyatom shift 42.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1144
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1146
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 1.579000
! to proton shift 4.196000
! from heavyatom shift 42.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1146
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 31 and resn leu and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41500.000000
! from proton shift 2.132000
! to proton shift 4.190000
! from heavyatom shift 42.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1147
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 31 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1150
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72400.000000
! from proton shift 3.911000
! to proton shift 1.985000
! from heavyatom shift 57.742000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1150
! note degeneracy 78, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name ha) (resid 78 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 66 and resn arg and name ha) (resid 65 and resn GLU and name hb*)
!
! peak name 3dC1151
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 93900.000000
! from proton shift 3.920000
! to proton shift 2.170000
! from heavyatom shift 57.786000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1151
! note degeneracy 75, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name ha) (resid 77 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38600.000000
! from proton shift 4.030000
! to proton shift 1.245000
! from heavyatom shift 59.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1159
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name ha) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dC1160
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64400.000000
! from proton shift 3.829000
! to proton shift 2.340000
! from heavyatom shift 60.128000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1160
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name ha) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000
or (resid 7 and resn glu and name ha) (resid 7 and resn GLU and name hg*)
!
! peak name 3dC1161
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 3.829000
! to proton shift 2.226000
! from heavyatom shift 60.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1161
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name ha) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1166
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 4.452000
! to proton shift 2.956000
! from heavyatom shift 57.002000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1166
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name ha) (resid 68 and resn ASN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1167
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 4.453000
! to proton shift 2.885000
! from heavyatom shift 56.989000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1167
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name ha) (resid 68 and resn ASN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1173
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54600.000000
! from proton shift 1.281000
! to proton shift 3.941000
! from heavyatom shift 18.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1173
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hb#) (resid 14 and resn SER and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC1175
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38600.000000
! from proton shift 0.956000
! to proton shift 2.215000
! from heavyatom shift 17.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1175
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 51 and resn MET and name hb*) 3.650000 1.850000 1.850000
or (resid 54 and resn ile and name hg2#) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC1176
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75500.000000
! from proton shift 0.957000
! to proton shift 0.513000
! from heavyatom shift 17.637000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1176
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hg12) 2.800000 1.000000 1.000000
!
! peak name 3dC1177
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 69300.000000
! from proton shift 0.414000
! to proton shift 1.907000
! from heavyatom shift 25.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1177
! note degeneracy 68, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hg) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1179
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.986000
! to proton shift 1.836000
! from heavyatom shift 21.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1179
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 3 and resn val and name hb) 2.500000 0.700000 0.700000
!
! peak name 3dC1184
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 69900.000000
! from proton shift 0.993000
! to proton shift 1.905000
! from heavyatom shift 21.674000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1184
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000
or (resid 3 and resn VAL and name hg*) (resid 34 and resn ile and name hg12)
or (resid 3 and resn VAL and name hg*) (resid 39 and resn ile and name hg2#)
!
! peak name 3dC1186
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 0.981000
! to proton shift 4.272000
! from heavyatom shift 21.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1186
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 3 and resn val and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC1188
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 0.890000
! to proton shift 4.188000
! from heavyatom shift 21.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1188
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn VAL and name hg*) (resid 14 and resn ser and name ha) 2.800000 1.000000 1.000000
or (resid 15 and resn VAL and name hg*) (resid 15 and resn val and name ha)
!
! peak name 3dC1192
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.930000
! to proton shift 4.148000
! from heavyatom shift 22.440000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1192
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hd*) (resid 53 and resn leu and name ha) 2.500000 0.700000 0.700000
or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha)
!
! peak name 3dC1193
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64600.000000
! from proton shift 0.938000
! to proton shift 1.448000
! from heavyatom shift 22.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1193
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*) 3.650000 1.850000 1.850000
or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*)
or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*)
or (resid 53 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*)
or (resid 53 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*)
or (resid 53 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*)
!
! peak name 3dC1195
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 1.256000
! to proton shift 4.280000
! from heavyatom shift 22.172000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1195
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hg2#) (resid 75 and resn thr and name hb) 2.800000 1.000000 1.000000
!
! peak name 3dC1196
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 84500.000000
! from proton shift 1.459000
! to proton shift 4.088000
! from heavyatom shift 25.405000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1196
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn lys and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1197
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59200.000000
! from proton shift 0.847000
! to proton shift 4.391000
! from heavyatom shift 22.745000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1197
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hd*) (resid 83 and resn leu and name ha) 3.650000 1.850000 1.850000
!
! peak name 3dC1198
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 290000.000000
! from proton shift 0.883000
! to proton shift 0.408000
! from heavyatom shift 23.350000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1198
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn LEU and name hd*) (resid 56 and resn leu and name hg) 2.500000 0.700000 0.700000
!
! peak name 3dC12
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 7550.000000
! from proton shift 0.207000
! to proton shift 3.330000
! from heavyatom shift 13.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 12
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 57 and resn TYR and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC120
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 0.850000
! to proton shift 3.487000
! from heavyatom shift 23.146000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 120
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 8 and resn val and name ha) 2.500000 0.700000 0.700000
!
! peak name 3dC1200
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69800.000000
! from proton shift 0.351000
! to proton shift 1.403000
! from heavyatom shift 24.771000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1200
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 11 and resn ala and name hb#) 3.900000 2.100000 2.100000
or (resid 28 and resn LEU and name hd*) (resid 11 and resn ala and name hb#)
or (resid 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*)
!
! peak name 3dC1201
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29100.000000
! from proton shift 0.885000
! to proton shift 4.120000
! from heavyatom shift 24.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1201
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 6 and resn pro and name ha) 4.150000 2.350000 2.350000
or (resid 28 and resn LEU and name hd*) (resid 26 and resn arg and name ha)
or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name ha)
!
! peak name 3dC1203
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80200.000000
! from proton shift 0.892000
! to proton shift 1.390000
! from heavyatom shift 24.315000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1203
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*) 2.800000 1.000000 1.000000
!
! peak name 3dC1204
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 0.887000
! to proton shift 1.486000
! from heavyatom shift 24.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1204
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name hg) 3.050000 1.250000 1.250000
or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name hb#)
!
! peak name 3dC1209
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43100.000000
! from proton shift 1.252000
! to proton shift 2.023000
! from heavyatom shift 24.090000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1209
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hd*) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC121
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50600.000000
! from proton shift 0.868000
! to proton shift 2.470000
! from heavyatom shift 23.462000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 121
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hd*) (resid 47 and resn MET and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC1211
! bounds 3.300000 1.800000
! likelihood 0.960000
! intensity 177000.000000
! from proton shift 1.245000
! to proton shift 1.411000
! from heavyatom shift 23.951000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1211
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 3.050000 1.250000 1.250000
!
! peak name 3dC1212
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 343000.000000
! from proton shift 1.247000
! to proton shift 1.038000
! from heavyatom shift 23.958000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1212
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hd*) (resid 9 and resn leu and name hg) 2.500000 0.700000 0.700000
!
! peak name 3dC1215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69500.000000
! from proton shift 1.283000
! to proton shift 0.742000
! from heavyatom shift 25.912000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1215
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 25 and resn LYS and name hg*) (resid 20 and resn ile and name hd*)
!
! peak name 3dC1216
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39600.000000
! from proton shift 0.827000
! to proton shift 4.090000
! from heavyatom shift 25.738000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1216
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 50 and resn leu and name ha) 3.650000 1.850000 1.850000
!
! peak name 3dC1217
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29200.000000
! from proton shift 0.816000
! to proton shift 3.459000
! from heavyatom shift 25.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1217
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 27 and resn ile and name ha) 4.150000 2.350000 2.350000
or (resid 46 and resn LEU and name hd*) (resid 48 and resn HIS and name hb*)
!
! peak name 3dC1218
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23200.000000
! from proton shift 0.820000
! to proton shift 2.711000
! from heavyatom shift 25.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1218
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name he*) 4.150000 2.350000 2.350000
or (resid 46 and resn LEU and name hd*) (resid 42 and resn GLU and name hg*)
!
! peak name 3dC1219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51700.000000
! from proton shift 3.139000
! to proton shift 0.815000
! from heavyatom shift 34.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1219
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 47 and resn MET and name hb*) (resid 77 and resn LEU and name hd*)
!
! peak name 3dC1223
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 136000.000000
! from proton shift 3.118000
! to proton shift 4.059000
! from heavyatom shift 38.543000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1223
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 57 and resn tyr and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1226
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37100.000000
! from proton shift 2.131000
! to proton shift 4.085000
! from heavyatom shift 37.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1226
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1227
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 2.230000
! to proton shift 3.827000
! from heavyatom shift 36.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1227
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1229
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 1.985000
! to proton shift 2.173000
! from heavyatom shift 36.012000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1229
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000
or (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*)
!
! peak name 3dC1230
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 2.097000
! to proton shift 4.144000
! from heavyatom shift 42.411000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1230
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 53 and resn LEU and name hb*) (resid 52 and resn glu and name ha)
or (resid 53 and resn LEU and name hb*) (resid 53 and resn leu and name ha)
!
! peak name 3dC1231
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 2.095000
! to proton shift 4.092000
! from heavyatom shift 42.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1231
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 50 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1232
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 1.522000
! to proton shift 1.056000
! from heavyatom shift 41.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1232
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1236
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70800.000000
! from proton shift 1.464000
! to proton shift 1.236000
! from heavyatom shift 41.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1236
! note degeneracy 70, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1237
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61000.000000
! from proton shift 2.161000
! to proton shift 3.701000
! from heavyatom shift 41.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1237
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000
or (resid 77 and resn LEU and name hb*) (resid 74 and resn arg and name ha)
!
! peak name 3dC1238
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 248000.000000
! from proton shift 2.146000
! to proton shift 1.516000
! from heavyatom shift 41.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1238
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 77 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1239
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 1.736000
! to proton shift 3.957000
! from heavyatom shift 41.437000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1239
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn LEU and name hb*) (resid 40 and resn leu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC124
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 1.218000
! to proton shift 4.147000
! from heavyatom shift 44.064000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 124
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 46 and resn LEU and name hb*) (resid 46 and resn leu and name ha)
!
! peak name 3dC1240
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 301000.000000
! from proton shift 2.464000
! to proton shift 1.967000
! from heavyatom shift 36.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1240
! note degeneracy 128, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hg*) (resid 65 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67100.000000
! from proton shift 1.428000
! to proton shift 1.983000
! from heavyatom shift 25.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1243
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hb*) 3.400000 1.600000 1.600000
or (resid 30 and resn LYS and name hg*) (resid 33 and resn ARG and name hg*)
or (resid 30 and resn LYS and name hg*) (resid 50 and resn LEU and name hb*)
!
! peak name 3dC1244
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35800.000000
! from proton shift 1.420000
! to proton shift 0.818000
! from heavyatom shift 25.193000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1244
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1247
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 49200.000000
! from proton shift 1.376000
! to proton shift 4.158000
! from heavyatom shift 26.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1247
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dC1249
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 72800.000000
! from proton shift 1.964000
! to proton shift 4.109000
! from heavyatom shift 27.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1249
! note degeneracy 112, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hg*) (resid 33 and resn arg and name ha) 2.550000 0.750000 0.750000
or (resid 26 and resn ARG and name hg*) (resid 26 and resn arg and name ha)
!
! peak name 3dC125
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13400.000000
! from proton shift 1.226000
! to proton shift 3.826000
! from heavyatom shift 43.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 125
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 37 and resn SER and name hb*) 3.900000 2.100000 2.100000
or (resid 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha)
!
! peak name 3dC1251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70800.000000
! from proton shift 1.876000
! to proton shift 3.854000
! from heavyatom shift 27.843000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1251
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1255
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79200.000000
! from proton shift 2.488000
! to proton shift 3.857000
! from heavyatom shift 27.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1255
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 76 and resn gln and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1256
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78200.000000
! from proton shift 2.478000
! to proton shift 2.117000
! from heavyatom shift 27.927000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1256
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1257
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 2.043000
! to proton shift 2.322000
! from heavyatom shift 31.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1257
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1258
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79000.000000
! from proton shift 2.043000
! to proton shift 1.750000
! from heavyatom shift 31.725000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1258
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1259
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 60200.000000
! from proton shift 2.126000
! to proton shift 3.819000
! from heavyatom shift 42.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1259
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52500.000000
! from proton shift 2.087000
! to proton shift 4.202000
! from heavyatom shift 38.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1260
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hb) (resid 31 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1261
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73100.000000
! from proton shift 1.966000
! to proton shift 4.233000
! from heavyatom shift 29.870000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1261
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hb*) (resid 65 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1262
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66000.000000
! from proton shift 1.983000
! to proton shift 3.925000
! from heavyatom shift 29.946000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1262
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hb*) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hb*) (resid 71 and resn arg and name ha)
or (resid 78 and resn GLU and name hb*) (resid 77 and resn leu and name ha)
or (resid 65 and resn GLU and name hb*) (resid 66 and resn arg and name ha)
!
! peak name 3dC1263
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 259000.000000
! from proton shift 1.976000
! to proton shift 2.455000
! from heavyatom shift 29.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1263
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hb*) (resid 65 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1264
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 556000.000000
! from proton shift 1.972000
! to proton shift 2.348000
! from heavyatom shift 29.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1264
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC1266
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92800.000000
! from proton shift 1.987000
! to proton shift 3.172000
! from heavyatom shift 29.894000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1266
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hb*) (resid 74 and resn ARG and name hd*) 2.550000 0.750000 0.750000
or (resid 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*)
!
! peak name 3dC1267
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 61300.000000
! from proton shift 1.970000
! to proton shift 2.653000
! from heavyatom shift 29.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1267
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hb*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1268
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 1.904000
! to proton shift 4.168000
! from heavyatom shift 30.504000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1268
! note degeneracy 208, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hb*) (resid 30 and resn lys and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1269
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 55900.000000
! from proton shift 2.088000
! to proton shift 3.268000
! from heavyatom shift 30.794000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1269
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC1272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70100.000000
! from proton shift 3.034000
! to proton shift 4.260000
! from heavyatom shift 31.216000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1272
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn HIS and name hb*) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1273
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 95900.000000
! from proton shift 3.262000
! to proton shift 4.263000
! from heavyatom shift 31.110000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1273
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn HIS and name hb*) (resid 35 and resn his and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1277
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28900.000000
! from proton shift 3.745000
! to proton shift 1.907000
! from heavyatom shift 51.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1277
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1278
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 222000.000000
! from proton shift 4.025000
! to proton shift 2.268000
! from heavyatom shift 59.723000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1278
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name ha) (resid 32 and resn GLN and name hb*) 2.250000 0.450000 0.450000
or (resid 44 and resn gln and name ha) (resid 44 and resn GLN and name hb*)
!
! peak name 3dC128
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82200.000000
! from proton shift 1.204000
! to proton shift 0.931000
! from heavyatom shift 44.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 128
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1280
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 117000.000000
! from proton shift 4.128000
! to proton shift 2.657000
! from heavyatom shift 59.322000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1280
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1281
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 236000.000000
! from proton shift 4.250000
! to proton shift 2.236000
! from heavyatom shift 58.659000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1281
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn glu and name ha) (resid 65 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1282
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 4.381000
! to proton shift 2.269000
! from heavyatom shift 57.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1282
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name ha) (resid 44 and resn GLN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1283
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30600.000000
! from proton shift 4.915000
! to proton shift 3.875000
! from heavyatom shift 55.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1283
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name ha) (resid 6 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1284
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 86900.000000
! from proton shift 3.780000
! to proton shift 2.012000
! from heavyatom shift 58.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1284
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name ha) (resid 9 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1286
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 289000.000000
! from proton shift 4.956000
! to proton shift 4.000000
! from heavyatom shift 52.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1286
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 19 and resn PRO and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC1287
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 246000.000000
! from proton shift 4.955000
! to proton shift 3.733000
! from heavyatom shift 52.908000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1287
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 19 and resn PRO and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC1288
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 4.959000
! to proton shift 1.425000
! from heavyatom shift 53.026000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1288
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 4.959000
! to proton shift 1.425000
! from heavyatom shift 53.026000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1289
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1291
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 361000.000000
! from proton shift 4.094000
! to proton shift 1.865000
! from heavyatom shift 59.053000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1291
! note degeneracy 252, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn lys and name ha) (resid 79 and resn LYS and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1294
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62800.000000
! from proton shift 4.095000
! to proton shift 1.452000
! from heavyatom shift 58.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1294
! note degeneracy 184, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name ha) (resid 9 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 79 and resn lys and name ha) (resid 79 and resn LYS and name hg*)
!
! peak name 3dC1298
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 315000.000000
! from proton shift 1.749000
! to proton shift 2.322000
! from heavyatom shift 28.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1298
! note degeneracy 85, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1299
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 1.990000
! to proton shift 3.827000
! from heavyatom shift 28.909000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1299
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC13
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48300.000000
! from proton shift 0.208000
! to proton shift 2.131000
! from heavyatom shift 13.395000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 13
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hb) 3.650000 1.850000 1.850000
!
! peak name 3dC1301
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.386000
! to proton shift 2.758000
! from heavyatom shift 26.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1301
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 10 and resn LYS and name he*) 3.900000 2.100000 2.100000
!
! peak name 3dC1302
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25900.000000
! from proton shift 1.372000
! to proton shift 0.341000
! from heavyatom shift 26.125000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1302
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 28 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1303
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 407000.000000
! from proton shift 4.045000
! to proton shift 4.196000
! from heavyatom shift 63.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1303
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn SER and name hb*) (resid 14 and resn ser and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1304
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45200.000000
! from proton shift 1.723000
! to proton shift 0.899000
! from heavyatom shift 29.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1304
! note degeneracy 126, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hb*) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dC1306
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 2.332000
! to proton shift 4.006000
! from heavyatom shift 32.368000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1306
! note degeneracy 88, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1307
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17700.000000
! from proton shift 2.321000
! to proton shift 3.731000
! from heavyatom shift 32.423000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1307
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1311
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 47500.000000
! from proton shift 2.138000
! to proton shift 1.051000
! from heavyatom shift 29.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1311
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1314
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14400.000000
! from proton shift 4.628000
! to proton shift 1.996000
! from heavyatom shift 57.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1314
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name ha) (resid 62 and resn PRO and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1316
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80400.000000
! from proton shift 0.873000
! to proton shift 1.426000
! from heavyatom shift 23.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1316
! note degeneracy 126, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#) 3.050000 1.250000 1.250000
or (resid 81 and resn LEU and name hd*) (resid 80 and resn ala and name hb#)
or (resid 81 and resn LEU and name hd*) (resid 81 and resn LEU and name hb*)
or (resid 81 and resn LEU and name hd*) (resid 81 and resn leu and name hg)
!
! peak name 3dC1317
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 0.886000
! to proton shift 4.223000
! from heavyatom shift 23.371000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1317
! note degeneracy 114, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hd*) (resid 81 and resn leu and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC1321
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 2.914000
! to proton shift 1.651000
! from heavyatom shift 41.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1321
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name he*) (resid 25 and resn LYS and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC1325
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44000.000000
! from proton shift 1.671000
! to proton shift 2.464000
! from heavyatom shift 28.730000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1325
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hg*) (resid 66 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC1332
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 89000.000000
! from proton shift 2.114000
! to proton shift 3.864000
! from heavyatom shift 32.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1332
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hg*) (resid 76 and resn gln and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1335
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 33600.000000
! from proton shift 2.226000
! to proton shift 1.460000
! from heavyatom shift 30.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1335
! note degeneracy 115, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hb*) (resid 74 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1336
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 2.200000
! to proton shift 4.019000
! from heavyatom shift 28.549000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1336
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hb*) (resid 72 and resn glu and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1338
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 700000.000000
! from proton shift 2.179000
! to proton shift 1.981000
! from heavyatom shift 28.645000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1338
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hb*) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1339
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 3.934000
! to proton shift 2.216000
! from heavyatom shift 60.290000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1339
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name ha) (resid 71 and resn ARG and name hb*) 2.550000 0.750000 0.750000
or (resid 71 and resn arg and name ha) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC1342
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56400.000000
! from proton shift 1.906000
! to proton shift 3.276000
! from heavyatom shift 30.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1342
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hb*) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC1344
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 112000.000000
! from proton shift 4.469000
! to proton shift 2.139000
! from heavyatom shift 58.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1344
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 73 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1345
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 30800.000000
! from proton shift 4.486000
! to proton shift 1.055000
! from heavyatom shift 58.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1345
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1347
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 1.171000
! to proton shift 1.860000
! from heavyatom shift 25.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1347
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hg) (resid 67 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1348
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77000.000000
! from proton shift 1.168000
! to proton shift 1.517000
! from heavyatom shift 25.477000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1348
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hg) (resid 67 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1349
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34700.000000
! from proton shift 0.892000
! to proton shift 3.936000
! from heavyatom shift 30.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1349
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1350
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25200.000000
! from proton shift 0.984000
! to proton shift 3.937000
! from heavyatom shift 30.248000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1350
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn arg and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1351
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31400.000000
! from proton shift 0.979000
! to proton shift 1.199000
! from heavyatom shift 30.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1351
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1354
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 4.249000
! to proton shift 2.456000
! from heavyatom shift 58.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1354
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn glu and name ha) (resid 65 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1355
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.249000
! to proton shift 1.967000
! from heavyatom shift 58.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1355
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn glu and name ha) (resid 65 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1357
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 60300.000000
! from proton shift 1.976000
! to proton shift 0.898000
! from heavyatom shift 29.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1357
! note degeneracy 147, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hb*) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1361
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 4.320000
! to proton shift 2.959000
! from heavyatom shift 57.985000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1361
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1362
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 64400.000000
! from proton shift 4.320000
! to proton shift 2.131000
! from heavyatom shift 57.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1362
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name ha) (resid 59 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1363
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 4.313000
! to proton shift 1.881000
! from heavyatom shift 57.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1363
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name ha) (resid 54 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dC1364
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 0.904000
! to proton shift 1.561000
! from heavyatom shift 24.714000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1364
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn LEU and name hd*) (resid 40 and resn leu and name hg) 2.800000 1.000000 1.000000
!
! peak name 3dC1365
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61100.000000
! from proton shift 2.110000
! to proton shift 4.135000
! from heavyatom shift 36.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1365
! note degeneracy 174, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 52 and resn GLU and name hg*) (resid 52 and resn glu and name ha)
!
! peak name 3dC1367
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 2.108000
! to proton shift 2.192000
! from heavyatom shift 36.221000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1367
! note degeneracy 105, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000
or (resid 72 and resn GLU and name hg*) (resid 72 and resn GLU and name hb*)
!
! peak name 3dC1369
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 4.156000
! to proton shift 1.198000
! from heavyatom shift 57.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1369
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name ha) (resid 46 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1370
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 2.081000
! to proton shift 4.126000
! from heavyatom shift 30.441000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1370
! note degeneracy 168, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hb*) (resid 26 and resn arg and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1371
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 2.358000
! to proton shift 2.661000
! from heavyatom shift 29.905000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1371
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 59 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1376
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 1.513000
! to proton shift 1.268000
! from heavyatom shift 18.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1376
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hb#) (resid 25 and resn LYS and name hg*) 2.800000 1.000000 1.000000
!
! peak name 3dC1377
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 306000.000000
! from proton shift 4.192000
! to proton shift 2.127000
! from heavyatom shift 57.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1377
! note degeneracy 130, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name ha) (resid 31 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1378
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 357000.000000
! from proton shift 4.160000
! to proton shift 1.876000
! from heavyatom shift 57.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1378
! note degeneracy 240, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000
or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
!
! peak name 3dC1380
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 4.203000
! to proton shift 1.563000
! from heavyatom shift 57.514000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1380
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name ha) (resid 31 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1382
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42500.000000
! from proton shift 0.969000
! to proton shift 2.129000
! from heavyatom shift 26.888000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1382
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1383
! bounds 6.000000 1.800000
! likelihood 0.930000
! intensity 17900.000000
! from proton shift 0.958000
! to proton shift 1.739000
! from heavyatom shift 26.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1383
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1384
! bounds 6.000000 1.800000
! likelihood 0.950000
! intensity 27900.000000
! from proton shift 0.950000
! to proton shift 1.438000
! from heavyatom shift 26.789000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1384
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1387
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 16100.000000
! from proton shift 0.811000
! to proton shift 0.503000
! from heavyatom shift 26.894000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1387
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 54 and resn ile and name hg12) 3.900000 2.100000 2.100000
!
! peak name 3dC1388
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34900.000000
! from proton shift 0.811000
! to proton shift 1.071000
! from heavyatom shift 27.084000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1388
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1390
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 1.572000
! to proton shift 0.899000
! from heavyatom shift 26.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1390
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hg) (resid 40 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1391
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 292000.000000
! from proton shift 1.831000
! to proton shift 2.011000
! from heavyatom shift 32.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1391
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1392
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 39400.000000
! from proton shift 0.995000
! to proton shift 1.786000
! from heavyatom shift 21.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1392
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC1393
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 4.104000
! to proton shift 2.119000
! from heavyatom shift 66.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1393
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 75 and resn thr and name ha) (resid 78 and resn GLU and name hg*)
!
! peak name 3dC1395
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 4.197000
! to proton shift 0.897000
! from heavyatom shift 61.695000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1395
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name ha) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1397
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 25800.000000
! from proton shift 0.905000
! to proton shift 2.117000
! from heavyatom shift 28.935000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1397
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 47 and resn MET and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1398
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 27400.000000
! from proton shift 0.916000
! to proton shift 1.634000
! from heavyatom shift 28.942000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1398
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 30 and resn LYS and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC14
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69200.000000
! from proton shift 0.207000
! to proton shift 1.792000
! from heavyatom shift 13.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 14
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hg12) 3.650000 1.850000 1.850000
or (resid 27 and resn ile and name hd*) (resid 28 and resn LEU and name hb*)
!
! peak name 3dC140
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53600.000000
! from proton shift 1.394000
! to proton shift 0.619000
! from heavyatom shift 29.947000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 140
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hb*) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1402
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77500.000000
! from proton shift 1.446000
! to proton shift 0.897000
! from heavyatom shift 40.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1402
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC1403
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 1.448000
! to proton shift 0.784000
! from heavyatom shift 41.032000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1403
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 77 and resn leu and name hg) 3.400000 1.600000 1.600000
!
! peak name 3dC1406
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83800.000000
! from proton shift 1.400000
! to proton shift 0.879000
! from heavyatom shift 41.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1406
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1407
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 1.890000
! to proton shift 1.474000
! from heavyatom shift 33.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1407
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn GLN and name hg*) (resid 61 and resn GLN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1408
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 72500.000000
! from proton shift 2.023000
! to proton shift 1.469000
! from heavyatom shift 33.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1408
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn GLN and name hg*) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1410
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 1.891000
! to proton shift 0.945000
! from heavyatom shift 30.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1410
! note degeneracy 114, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 30 and resn LYS and name hb*) (resid 53 and resn LEU and name hd*)
!
! peak name 3dC1414
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19100.000000
! from proton shift 0.985000
! to proton shift 2.479000
! from heavyatom shift 30.188000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1414
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1415
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19400.000000
! from proton shift 0.882000
! to proton shift 2.478000
! from heavyatom shift 30.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1415
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1416
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94600.000000
! from proton shift 3.414000
! to proton shift 2.321000
! from heavyatom shift 50.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1416
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 2.550000 0.750000 0.750000
or (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*)
!
! peak name 3dC1417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48200.000000
! from proton shift 3.399000
! to proton shift 2.392000
! from heavyatom shift 50.207000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1417
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1418
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 174000.000000
! from proton shift 3.396000
! to proton shift 2.008000
! from heavyatom shift 50.240000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1418
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1419
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65100.000000
! from proton shift 3.391000
! to proton shift 1.902000
! from heavyatom shift 50.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1419
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000
or (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hg*)
or (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*)
!
! peak name 3dC142
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 1.551000
! to proton shift 3.668000
! from heavyatom shift 26.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 142
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1420
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69900.000000
! from proton shift 3.412000
! to proton shift 1.739000
! from heavyatom shift 50.220000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1420
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1421
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 46700.000000
! from proton shift 3.412000
! to proton shift 1.640000
! from heavyatom shift 50.272000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1421
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1422
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 3.533000
! to proton shift 1.909000
! from heavyatom shift 50.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1422
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 2.550000 0.750000 0.750000
or (resid 62 and resn PRO and name hd*) (resid 61 and resn GLN and name hb*)
!
! peak name 3dC1423
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 3.527000
! to proton shift 2.005000
! from heavyatom shift 50.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1423
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1424
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35700.000000
! from proton shift 3.525000
! to proton shift 2.385000
! from heavyatom shift 50.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1424
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hd*) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1425
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 33500.000000
! from proton shift 3.889000
! to proton shift 1.650000
! from heavyatom shift 50.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1425
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC143
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 129000.000000
! from proton shift 1.800000
! to proton shift 0.200000
! from heavyatom shift 31.513000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 143
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1431
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 32200.000000
! from proton shift 4.012000
! to proton shift 1.896000
! from heavyatom shift 51.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1431
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1432
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35300.000000
! from proton shift 4.010000
! to proton shift 1.826000
! from heavyatom shift 51.182000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1432
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1433
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 4.011000
! to proton shift 1.591000
! from heavyatom shift 51.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1433
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1434
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18900.000000
! from proton shift 3.748000
! to proton shift 1.436000
! from heavyatom shift 51.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1434
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC1435
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29700.000000
! from proton shift 3.738000
! to proton shift 2.314000
! from heavyatom shift 51.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1435
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1439
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74400.000000
! from proton shift 4.666000
! to proton shift 3.519000
! from heavyatom shift 57.340000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1439
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name ha) (resid 24 and resn TYR and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC144
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 1.799000
! to proton shift 0.654000
! from heavyatom shift 31.550000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 144
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name hg2#) 2.500000 0.700000 0.700000
!
! peak name 3dC1440
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37500.000000
! from proton shift 4.652000
! to proton shift 3.399000
! from heavyatom shift 57.401000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1440
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name ha) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1444
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 19900.000000
! from proton shift 4.288000
! to proton shift 1.056000
! from heavyatom shift 63.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1444
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn SER and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1449
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 402000.000000
! from proton shift 3.833000
! to proton shift 0.880000
! from heavyatom shift 58.398000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1449
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name ha) (resid 28 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1450
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 3.850000
! to proton shift 1.161000
! from heavyatom shift 58.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1450
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name ha) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000
or (resid 67 and resn leu and name ha) (resid 67 and resn leu and name hg)
or (resid 28 and resn leu and name ha) (resid 31 and resn LEU and name hd*)
!
! peak name 3dC1451
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 270000.000000
! from proton shift 3.868000
! to proton shift 1.876000
! from heavyatom shift 58.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1451
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1452
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 3.836000
! to proton shift 1.780000
! from heavyatom shift 58.411000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1452
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name ha) (resid 28 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1453
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 3.818000
! to proton shift 1.405000
! from heavyatom shift 58.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1453
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name ha) (resid 28 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1455
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 4.725000
! to proton shift 1.903000
! from heavyatom shift 53.715000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1455
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hb*) 2.550000 0.750000 0.750000
or (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hg*)
!
! peak name 3dC1456
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96200.000000
! from proton shift 4.727000
! to proton shift 2.015000
! from heavyatom shift 53.721000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1456
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1457
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50000.000000
! from proton shift 4.727000
! to proton shift 1.469000
! from heavyatom shift 53.750000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1457
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn gln and name ha) (resid 61 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC1458
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 4.729000
! to proton shift 3.386000
! from heavyatom shift 53.736000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1458
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn gln and name ha) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC146
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 1.805000
! to proton shift 1.082000
! from heavyatom shift 31.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 146
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1460
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19800.000000
! from proton shift 4.358000
! to proton shift 1.630000
! from heavyatom shift 51.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1460
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name ha) (resid 12 and resn ARG and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1464
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 2.877000
! to proton shift 0.623000
! from heavyatom shift 41.555000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1464
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1465
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 223000.000000
! from proton shift 4.096000
! to proton shift 1.443000
! from heavyatom shift 57.666000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1465
! note degeneracy 138, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name ha) (resid 50 and resn LEU and name hb*) 2.250000 0.450000 0.450000
or (resid 50 and resn leu and name ha) (resid 53 and resn LEU and name hb*)
!
! peak name 3dC1466
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87500.000000
! from proton shift 4.094000
! to proton shift 1.546000
! from heavyatom shift 57.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1466
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name ha) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1468
! bounds 2.700000 1.800000
! likelihood 0.900000
! intensity 220000.000000
! from proton shift 4.101000
! to proton shift 0.817000
! from heavyatom shift 57.627000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1468
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name ha) (resid 46 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1470
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 4.501000
! to proton shift 3.736000
! from heavyatom shift 58.420000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1470
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name ha) (resid 37 and resn SER and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1472
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 23900.000000
! from proton shift 4.122000
! to proton shift 1.640000
! from heavyatom shift 66.180000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1472
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 31 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1473
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 18300.000000
! from proton shift 4.117000
! to proton shift 1.567000
! from heavyatom shift 66.210000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1473
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 31 and resn LEU and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1475
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27400.000000
! from proton shift 4.524000
! to proton shift 3.535000
! from heavyatom shift 64.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1475
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1476
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54900.000000
! from proton shift 4.512000
! to proton shift 1.911000
! from heavyatom shift 64.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1476
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
or (resid 62 and resn pro and name ha) (resid 61 and resn GLN and name hb*)
!
! peak name 3dC1477
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 142000.000000
! from proton shift 3.944000
! to proton shift 2.110000
! from heavyatom shift 60.885000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1477
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name ha) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC148
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40600.000000
! from proton shift 1.795000
! to proton shift 2.116000
! from heavyatom shift 31.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 148
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dC1481
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 4.117000
! to proton shift 1.907000
! from heavyatom shift 59.572000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1481
! note degeneracy 170, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name ha) (resid 26 and resn ARG and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1483
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 4.103000
! to proton shift 2.093000
! from heavyatom shift 59.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1483
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name ha) (resid 26 and resn ARG and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1485
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 4.120000
! to proton shift 2.276000
! from heavyatom shift 59.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1485
! note degeneracy 114, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name ha) (resid 49 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1486
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 4.026000
! to proton shift 2.155000
! from heavyatom shift 59.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1486
! note degeneracy 200, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name ha) (resid 72 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1488
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 342000.000000
! from proton shift 4.024000
! to proton shift 1.977000
! from heavyatom shift 59.652000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1488
! note degeneracy 232, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name ha) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC1489
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 371000.000000
! from proton shift 4.026000
! to proton shift 2.102000
! from heavyatom shift 59.703000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1489
! note degeneracy 200, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name ha) (resid 72 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC149
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66300.000000
! from proton shift 1.803000
! to proton shift 3.460000
! from heavyatom shift 31.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 149
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1490
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75300.000000
! from proton shift 3.971000
! to proton shift 1.563000
! from heavyatom shift 59.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1490
! note degeneracy 133, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name ha) (resid 40 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC1495
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 32400.000000
! from proton shift 1.919000
! to proton shift 2.465000
! from heavyatom shift 18.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1495
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg2#) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC1496
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25300.000000
! from proton shift 1.915000
! to proton shift 2.260000
! from heavyatom shift 18.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1496
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg2#) (resid 44 and resn GLN and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC1498
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 39400.000000
! from proton shift 1.918000
! to proton shift 1.771000
! from heavyatom shift 18.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1498
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg2#) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC15
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 123000.000000
! from proton shift 0.208000
! to proton shift 0.530000
! from heavyatom shift 13.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 15
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hg11) 2.800000 1.000000 1.000000
!
! peak name 3dC150
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 1.732000
! to proton shift -0.071000
! from heavyatom shift 31.869000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 150
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hb) (resid 8 and resn VAL and name hg*) 2.800000 1.000000 1.000000
!
! peak name 3dC1500
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 1.916000
! to proton shift 0.880000
! from heavyatom shift 18.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1500
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg2#) (resid 39 and resn ile and name hd*) 3.050000 1.250000 1.250000
!
! peak name 3dC1509
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 408000.000000
! from proton shift 1.580000
! to proton shift 1.250000
! from heavyatom shift 28.063000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1509
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hg12) (resid 16 and resn ile and name hg2#) 2.500000 0.700000 0.700000
!
! peak name 3dC151
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 255000.000000
! from proton shift 1.729000
! to proton shift 0.844000
! from heavyatom shift 31.906000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 151
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hb) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1512
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 80100.000000
! from proton shift 1.886000
! to proton shift 2.340000
! from heavyatom shift 28.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1512
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1513
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 1.887000
! to proton shift 2.226000
! from heavyatom shift 28.814000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1513
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1514
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 1.987000
! to proton shift 2.336000
! from heavyatom shift 28.967000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1514
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hb*) (resid 7 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1515
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 161000.000000
! from proton shift 2.484000
! to proton shift 1.774000
! from heavyatom shift 33.470000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1515
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1517
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 37100.000000
! from proton shift 1.887000
! to proton shift 3.187000
! from heavyatom shift 30.955000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1517
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC1519
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 1.889000
! to proton shift 1.665000
! from heavyatom shift 30.736000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1519
! note degeneracy 114, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hb*) (resid 26 and resn ARG and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC152
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 19700.000000
! from proton shift 1.736000
! to proton shift 3.117000
! from heavyatom shift 31.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 152
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hb) (resid 4 and resn TRP and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1522
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 2.878000
! to proton shift 1.302000
! from heavyatom shift 41.606000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1522
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1523
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 2.871000
! to proton shift 1.401000
! from heavyatom shift 41.590000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1523
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name he*) (resid 79 and resn LYS and name hd*) 2.550000 0.750000 0.750000
or (resid 12 and resn ARG and name hd*) (resid 12 and resn ARG and name hb*)
!
! peak name 3dC1525
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 283000.000000
! from proton shift 2.875000
! to proton shift 4.028000
! from heavyatom shift 41.552000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1525
! note degeneracy 78, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hd*) (resid 12 and resn arg and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC1530
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39700.000000
! from proton shift 2.768000
! to proton shift 1.359000
! from heavyatom shift 41.744000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1530
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC1532
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77100.000000
! from proton shift 1.924000
! to proton shift 1.422000
! from heavyatom shift 34.106000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1532
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1534
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 349000.000000
! from proton shift 1.173000
! to proton shift 1.600000
! from heavyatom shift 26.997000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1534
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hg2#) 2.500000 0.700000 0.700000
!
! peak name 3dC1535
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 1.173000
! to proton shift 1.704000
! from heavyatom shift 27.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1535
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hg12) (resid 20 and resn ile and name hg11) 2.250000 0.450000 0.450000
!
! peak name 3dC1536
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46600.000000
! from proton shift 1.173000
! to proton shift 1.882000
! from heavyatom shift 27.091000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1536
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hb) 3.650000 1.850000 1.850000
or (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hg2#)
!
! peak name 3dC1537
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 288000.000000
! from proton shift 1.161000
! to proton shift 0.892000
! from heavyatom shift 26.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1537
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1538
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 1.167000
! to proton shift 0.739000
! from heavyatom shift 27.448000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1538
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hg12) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000
or (resid 20 and resn ile and name hg12) (resid 20 and resn ile and name hd*)
!
! peak name 3dC154
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70500.000000
! from proton shift 1.718000
! to proton shift 3.486000
! from heavyatom shift 31.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 154
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hb) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1540
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77300.000000
! from proton shift 0.828000
! to proton shift 1.446000
! from heavyatom shift 25.805000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1540
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hg*) 2.800000 1.000000 1.000000
or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*)
!
! peak name 3dC1541
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 71100.000000
! from proton shift 0.814000
! to proton shift 1.086000
! from heavyatom shift 25.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1541
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 73 and resn LEU and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1545
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 40700.000000
! from proton shift 0.884000
! to proton shift 2.012000
! from heavyatom shift 24.273000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1545
! note degeneracy 78, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC1546
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44400.000000
! from proton shift 0.879000
! to proton shift 1.627000
! from heavyatom shift 24.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1546
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 31 and resn LEU and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1549
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 1.934000
! to proton shift 3.669000
! from heavyatom shift 32.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1549
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hg*) (resid 51 and resn met and name ha) 2.550000 0.750000 0.750000
or (resid 51 and resn MET and name hg*) (resid 51 and resn met and name ha)
!
! peak name 3dC1551
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25100.000000
! from proton shift 2.384000
! to proton shift 3.521000
! from heavyatom shift 32.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1551
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC1558
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 17400.000000
! from proton shift 4.447000
! to proton shift 3.389000
! from heavyatom shift 44.502000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1558
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn GLY and name ha*) (resid 24 and resn TYR and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC156
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.339000
! to proton shift 0.954000
! from heavyatom shift 31.734000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 156
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC1561
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31500.000000
! from proton shift 2.489000
! to proton shift 1.903000
! from heavyatom shift 33.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1561
! note degeneracy 68, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 39 and resn ile and name hg2#) 4.150000 2.350000 2.350000
or (resid 47 and resn MET and name hb*) (resid 43 and resn ARG and name hb*)
or (resid 47 and resn MET and name hb*) (resid 51 and resn MET and name hg*)
or (resid 47 and resn MET and name hb*) (resid 51 and resn MET and name hg*)
!
! peak name 3dC1564
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48800.000000
! from proton shift 2.516000
! to proton shift 4.023000
! from heavyatom shift 33.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1564
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000
or (resid 47 and resn MET and name hb*) (resid 45 and resn GLY and name ha*)
!
! peak name 3dC1565
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82300.000000
! from proton shift 1.505000
! to proton shift 3.841000
! from heavyatom shift 41.659000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1565
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1568
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13600.000000
! from proton shift 2.421000
! to proton shift 3.261000
! from heavyatom shift 33.455000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1568
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn GLN and name hg*) (resid 35 and resn HIS and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC157
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 87700.000000
! from proton shift 2.329000
! to proton shift 1.738000
! from heavyatom shift 31.766000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 157
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 6 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1570
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24900.000000
! from proton shift 1.794000
! to proton shift 3.125000
! from heavyatom shift 33.431000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1570
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1571
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24200.000000
! from proton shift 1.781000
! to proton shift 0.407000
! from heavyatom shift 33.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1571
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC1572
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34300.000000
! from proton shift 1.785000
! to proton shift 0.814000
! from heavyatom shift 33.487000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1572
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 47 and resn MET and name hg*) (resid 77 and resn LEU and name hd*)
or (resid 47 and resn MET and name hg*) (resid 77 and resn leu and name hg)
!
! peak name 3dC1576
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25400.000000
! from proton shift 3.743000
! to proton shift 3.410000
! from heavyatom shift 63.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1576
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn SER and name hb*) (resid 34 and resn ile and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1578
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 288000.000000
! from proton shift 2.235000
! to proton shift 1.978000
! from heavyatom shift 36.910000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1578
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC1579
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 179000.000000
! from proton shift 0.961000
! to proton shift 1.154000
! from heavyatom shift 26.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1579
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 31 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC1580
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 3.865000
! to proton shift 2.335000
! from heavyatom shift 58.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1580
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC1581
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96500.000000
! from proton shift 3.863000
! to proton shift 2.475000
! from heavyatom shift 58.854000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1581
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC1582
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 364000.000000
! from proton shift 4.143000
! to proton shift 1.882000
! from heavyatom shift 57.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1582
! note degeneracy 240, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000
or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
!
! peak name 3dC159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53400.000000
! from proton shift 1.589000
! to proton shift 0.339000
! from heavyatom shift 29.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 159
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hd*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1591
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41200.000000
! from proton shift 1.588000
! to proton shift 3.894000
! from heavyatom shift 28.016000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1591
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hg12) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1592
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 1.981000
! to proton shift 0.925000
! from heavyatom shift 26.814000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1592
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hg) (resid 46 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC1595
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18400.000000
! from proton shift 1.545000
! to proton shift 1.909000
! from heavyatom shift 43.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1595
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hb*) (resid 84 and resn GLU and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC1597
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 51300.000000
! from proton shift 1.922000
! to proton shift 0.979000
! from heavyatom shift 18.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1597
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg2#) (resid 3 and resn VAL and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC16
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55500.000000
! from proton shift 0.205000
! to proton shift 0.660000
! from heavyatom shift 13.376000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 16
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 27 and resn ile and name hg2#) 3.900000 2.100000 2.100000
!
! peak name 3dC160
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91200.000000
! from proton shift 1.635000
! to proton shift 4.019000
! from heavyatom shift 29.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 160
! note degeneracy 125, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hb*) (resid 12 and resn arg and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1600
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 239000.000000
! from proton shift 0.857000
! to proton shift 1.726000
! from heavyatom shift 23.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1600
! note degeneracy 108, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 8 and resn val and name hb) 2.500000 0.700000 0.700000
!
! peak name 3dC1601
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88300.000000
! from proton shift 4.086000
! to proton shift 2.413000
! from heavyatom shift 58.388000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1601
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name ha) (resid 42 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC161
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45100.000000
! from proton shift 1.918000
! to proton shift 4.186000
! from heavyatom shift 34.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 161
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hb) (resid 15 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1612
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 0.901000
! to proton shift 0.695000
! from heavyatom shift 28.933000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1612
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC1613
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 78900.000000
! from proton shift 2.016000
! to proton shift 3.525000
! from heavyatom shift 27.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1613
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hg*) (resid 62 and resn PRO and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC1615
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50500.000000
! from proton shift 3.408000
! to proton shift 0.982000
! from heavyatom shift 50.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1615
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1)
!
! peak name 3dC1616
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37800.000000
! from proton shift 2.160000
! to proton shift 3.891000
! from heavyatom shift 41.690000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1616
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC162
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 234000.000000
! from proton shift 1.915000
! to proton shift 0.844000
! from heavyatom shift 34.921000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 162
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hb) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC1622
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33900.000000
! from proton shift 1.997000
! to proton shift 2.713000
! from heavyatom shift 30.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1622
! note degeneracy 55, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hb*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC1625
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14900.000000
! from proton shift 4.295000
! to proton shift 1.977000
! from heavyatom shift 68.842000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1625
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 74 and resn ARG and name hb*) 3.900000 2.100000 2.100000
or (resid 75 and resn thr and name hb) (resid 78 and resn GLU and name hb*)
or (resid 75 and resn thr and name hb) (resid 72 and resn GLU and name hg*)
!
! peak name 3dC1627
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 8980.000000
! from proton shift 0.210000
! to proton shift 4.077000
! from heavyatom shift 13.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1627
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 57 and resn tyr and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC1630
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 4.019000
! to proton shift 4.944000
! from heavyatom shift 51.297000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1630
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn lys and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1631
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 3.878000
! to proton shift 4.539000
! from heavyatom shift 50.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1631
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1636
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14800.000000
! from proton shift 1.296000
! to proton shift 4.114000
! from heavyatom shift 25.947000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1636
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 26 and resn arg and name ha) 3.900000 2.100000 2.100000
or (resid 25 and resn LYS and name hg*) (resid 29 and resn ala and name ha)
!
! peak name 3dC1637
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 2.818000
! to proton shift 4.979000
! from heavyatom shift 39.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1637
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn ASN and name hb*) (resid 38 and resn asn and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1638
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 2.928000
! to proton shift 4.983000
! from heavyatom shift 39.638000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1638
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn ASN and name hb*) (resid 38 and resn asn and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1639
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91700.000000
! from proton shift 2.896000
! to proton shift 4.439000
! from heavyatom shift 37.357000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1639
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn ASN and name hb*) (resid 68 and resn asn and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1640
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 88800.000000
! from proton shift 2.975000
! to proton shift 4.441000
! from heavyatom shift 37.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1640
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn ASN and name hb*) (resid 68 and resn asn and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1641
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19600.000000
! from proton shift 2.145000
! to proton shift 4.475000
! from heavyatom shift 41.584000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1641
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 70 and resn phe and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1642
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30200.000000
! from proton shift 1.584000
! to proton shift 4.952000
! from heavyatom shift 25.107000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1642
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1643
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19500.000000
! from proton shift 1.438000
! to proton shift 4.941000
! from heavyatom shift 24.915000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1643
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1644
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 2.279000
! to proton shift 4.374000
! from heavyatom shift 28.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1644
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hb*) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1645
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31900.000000
! from proton shift 3.349000
! to proton shift 4.926000
! from heavyatom shift 30.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1645
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 4 and resn trp and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1646
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 13000.000000
! from proton shift 3.258000
! to proton shift 4.137000
! from heavyatom shift 31.164000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1646
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn HIS and name hb*) (resid 6 and resn pro and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1647
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14800.000000
! from proton shift 1.711000
! to proton shift 4.957000
! from heavyatom shift 29.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1647
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hd*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1649
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27300.000000
! from proton shift 2.030000
! to proton shift 4.940000
! from heavyatom shift 27.191000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1649
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hg*) (resid 18 and resn lys and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1651
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45600.000000
! from proton shift 2.333000
! to proton shift 4.518000
! from heavyatom shift 32.542000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1651
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn pro and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1655
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43200.000000
! from proton shift 1.181000
! to proton shift 3.843000
! from heavyatom shift 25.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1655
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hg) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1656
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15500.000000
! from proton shift 1.222000
! to proton shift 3.940000
! from heavyatom shift 28.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1656
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hg*) (resid 66 and resn arg and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC1658
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 3.750000
! to proton shift 4.943000
! from heavyatom shift 51.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1658
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn lys and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC1661
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63900.000000
! from proton shift 3.516000
! to proton shift 4.683000
! from heavyatom shift 37.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1661
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn TYR and name hb*) (resid 24 and resn tyr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC1663
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14500.000000
! from proton shift 0.908000
! to proton shift 3.678000
! from heavyatom shift 24.369000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1663
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 25 and resn lys and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC1664
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 0.820000
! to proton shift 4.147000
! from heavyatom shift 25.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1664
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn lys and name ha) 4.150000 2.350000 2.350000
or (resid 46 and resn LEU and name hd*) (resid 45 and resn GLY and name ha*)
or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha)
or (resid 46 and resn LEU and name hd*) (resid 49 and resn glu and name ha)
!
! peak name 3dC1665
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 36100.000000
! from proton shift 1.888000
! to proton shift 4.283000
! from heavyatom shift 27.889000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1665
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 75 and resn thr and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dC1666
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 51300.000000
! from proton shift 3.253000
! to proton shift 3.881000
! from heavyatom shift 31.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 1666
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn HIS and name hb*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC168
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 55700.000000
! from proton shift 2.698000
! to proton shift 0.879000
! from heavyatom shift 34.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 168
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hg*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC17
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13300.000000
! from proton shift 0.212000
! to proton shift 1.078000
! from heavyatom shift 13.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 17
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*) 4.400000 2.600000 2.600000
!
! peak name 3dC173
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 62600.000000
! from proton shift 2.133000
! to proton shift 0.772000
! from heavyatom shift 34.015000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 173
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC174
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 1.624000
! to proton shift 1.425000
! from heavyatom shift 34.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 174
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC176
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 2.344000
! to proton shift 0.842000
! from heavyatom shift 36.995000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 176
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC179
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 593000.000000
! from proton shift 2.694000
! to proton shift 2.278000
! from heavyatom shift 34.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 179
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hg*) (resid 44 and resn GLN and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC18
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8660.000000
! from proton shift 0.198000
! to proton shift 1.439000
! from heavyatom shift 13.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 18
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hb*) 4.400000 2.600000 2.600000
or (resid 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*)
!
! peak name 3dC180
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20900.000000
! from proton shift 2.693000
! to proton shift 1.904000
! from heavyatom shift 34.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 180
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hg*) (resid 39 and resn ile and name hb) 4.150000 2.350000 2.350000
or (resid 44 and resn GLN and name hg*) (resid 39 and resn ile and name hg2#)
or (resid 44 and resn GLN and name hg*) (resid 43 and resn ARG and name hb*)
!
! peak name 3dC186
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 1.936000
! to proton shift 1.556000
! from heavyatom shift 32.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 186
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 25 and resn LYS and name hb*) (resid 25 and resn LYS and name hg*)
or (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC187
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 192000.000000
! from proton shift 1.881000
! to proton shift 1.641000
! from heavyatom shift 32.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 187
! note degeneracy 115, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hb*) (resid 79 and resn LYS and name hd*) 2.250000 0.450000 0.450000
or (resid 79 and resn LYS and name hb*) (resid 79 and resn LYS and name hg*)
!
! peak name 3dC189
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 93900.000000
! from proton shift 1.748000
! to proton shift 3.828000
! from heavyatom shift 32.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 189
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hb*) (resid 7 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC190
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 1.741000
! to proton shift 1.368000
! from heavyatom shift 32.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 190
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hb*) (resid 10 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC192
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20400.000000
! from proton shift 2.239000
! to proton shift 0.408000
! from heavyatom shift 32.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 192
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC193
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18800.000000
! from proton shift 2.245000
! to proton shift 0.695000
! from heavyatom shift 32.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 193
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 54 and resn ile and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62600.000000
! from proton shift 2.285000
! to proton shift 0.932000
! from heavyatom shift 36.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 195
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn GLU and name hg*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 59 and resn GLU and name hg*) (resid 56 and resn LEU and name hd*)
!
! peak name 3dC196
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 2.139000
! to proton shift 0.199000
! from heavyatom shift 38.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 196
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hb) (resid 27 and resn ile and name hd*) 2.800000 1.000000 1.000000
or (resid 27 and resn ile and name hb) (resid 54 and resn ile and name hd*)
!
! peak name 3dC197
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 158000.000000
! from proton shift 2.096000
! to proton shift 0.771000
! from heavyatom shift 38.188000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 197
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hb) (resid 34 and resn ile and name hg11) 2.550000 0.750000 0.750000
!
! peak name 3dC199
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 2.105000
! to proton shift 1.158000
! from heavyatom shift 38.209000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 199
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hb) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 34 and resn ile and name hb) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC2
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92700.000000
! from proton shift 0.902000
! to proton shift 1.889000
! from heavyatom shift 12.589000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 2
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hb) 3.050000 1.250000 1.250000
or (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hg2#)
!
! peak name 3dC200
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52800.000000
! from proton shift 3.522000
! to proton shift 0.744000
! from heavyatom shift 37.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 200
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*)
!
! peak name 3dC201
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69700.000000
! from proton shift 3.421000
! to proton shift 0.744000
! from heavyatom shift 37.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 201
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 24 and resn TYR and name hb*) (resid 20 and resn ile and name hd*)
!
! peak name 3dC202
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 44000.000000
! from proton shift 3.324000
! to proton shift 0.195000
! from heavyatom shift 38.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 202
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name hd*)
!
! peak name 3dC203
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 90400.000000
! from proton shift 3.323000
! to proton shift 3.480000
! from heavyatom shift 38.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 203
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC204
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82100.000000
! from proton shift 3.327000
! to proton shift 4.056000
! from heavyatom shift 38.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 204
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 57 and resn tyr and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC206
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31800.000000
! from proton shift 3.229000
! to proton shift 1.165000
! from heavyatom shift 36.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 206
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn PHE and name hb*) (resid 9 and resn LEU and name hd*) 4.150000 2.350000 2.350000
or (resid 70 and resn PHE and name hb*) (resid 67 and resn LEU and name hd*)
or (resid 70 and resn PHE and name hb*) (resid 67 and resn leu and name hg)
!
! peak name 3dC212
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61700.000000
! from proton shift 1.461000
! to proton shift 3.767000
! from heavyatom shift 41.051000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 212
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC213
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59900.000000
! from proton shift 1.524000
! to proton shift 3.542000
! from heavyatom shift 41.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 213
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC214
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 1.895000
! to proton shift 1.055000
! from heavyatom shift 39.161000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 214
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hb) (resid 39 and resn ile and name hg12) 2.250000 0.450000 0.450000
!
! peak name 3dC215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 1.892000
! to proton shift 1.163000
! from heavyatom shift 39.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 215
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hb) (resid 39 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dC216
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.004000
! to proton shift 0.897000
! from heavyatom shift 41.003000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 216
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC217
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 2.024000
! to proton shift 0.950000
! from heavyatom shift 41.167000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 217
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC218
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 110000.000000
! from proton shift 2.017000
! to proton shift 1.031000
! from heavyatom shift 41.071000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 218
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 1.998000
! to proton shift 1.082000
! from heavyatom shift 40.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 219
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 9 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*)
!
! peak name 3dC220
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 2.015000
! to proton shift 1.235000
! from heavyatom shift 41.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 220
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC221
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59100.000000
! from proton shift 2.002000
! to proton shift 4.098000
! from heavyatom shift 41.038000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 221
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 50 and resn LEU and name hb*) (resid 50 and resn leu and name ha)
!
! peak name 3dC222
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65000.000000
! from proton shift 1.473000
! to proton shift 0.952000
! from heavyatom shift 41.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 222
! note degeneracy 95, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn LEU and name hb*) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 9 and resn LEU and name hb*) (resid 8 and resn VAL and name hg*)
!
! peak name 3dC224
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 40200.000000
! from proton shift 1.591000
! to proton shift 3.828000
! from heavyatom shift 29.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 224
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hd*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC225
! bounds 6.000000 1.800000
! likelihood 0.940000
! intensity 28700.000000
! from proton shift 1.599000
! to proton shift 4.159000
! from heavyatom shift 29.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 225
! note degeneracy 174, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hd*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000
!
! peak name 3dC226
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 45600.000000
! from proton shift 1.643000
! to proton shift 0.742000
! from heavyatom shift 29.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 226
! note degeneracy 35, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hd*) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 25 and resn LYS and name hd*) (resid 20 and resn ile and name hd*)
!
! peak name 3dC227
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 1.619000
! to proton shift 0.625000
! from heavyatom shift 29.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 227
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hb*) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC230
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 3.354000
! to proton shift 4.196000
! from heavyatom shift 28.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 230
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn HIS and name hb*) (resid 48 and resn his and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC231
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 34900.000000
! from proton shift 0.903000
! to proton shift 0.527000
! from heavyatom shift 28.931000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 231
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 34 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC234
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81300.000000
! from proton shift 0.904000
! to proton shift 1.440000
! from heavyatom shift 28.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 234
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC235
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 0.907000
! to proton shift 1.541000
! from heavyatom shift 28.920000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 235
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC236
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98800.000000
! from proton shift 0.904000
! to proton shift 1.987000
! from heavyatom shift 28.919000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 236
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 50 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC237
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 19400.000000
! from proton shift 0.910000
! to proton shift 1.697000
! from heavyatom shift 28.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 237
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 30 and resn LYS and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC240
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 82500.000000
! from proton shift 0.955000
! to proton shift 0.696000
! from heavyatom shift 27.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 240
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC241
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64500.000000
! from proton shift 0.960000
! to proton shift 1.520000
! from heavyatom shift 27.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 241
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 73 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 73 and resn leu and name hg) (resid 77 and resn LEU and name hd*)
!
! peak name 3dC243
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12100.000000
! from proton shift 0.963000
! to proton shift 3.544000
! from heavyatom shift 27.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 243
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 73 and resn leu and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC244
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 141000.000000
! from proton shift 1.497000
! to proton shift 0.343000
! from heavyatom shift 27.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 244
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hg) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC246
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 1.509000
! to proton shift 3.821000
! from heavyatom shift 27.366000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 246
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hg) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61700.000000
! from proton shift 3.827000
! to proton shift 0.341000
! from heavyatom shift 58.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 249
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name ha) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC250
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 3.855000
! to proton shift 2.124000
! from heavyatom shift 58.663000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 250
! note degeneracy 125, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name ha) (resid 76 and resn GLN and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC251
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24600.000000
! from proton shift 3.784000
! to proton shift -0.069000
! from heavyatom shift 58.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 251
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name ha) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC252
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 79000.000000
! from proton shift 3.679000
! to proton shift 0.410000
! from heavyatom shift 60.029000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 252
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC253
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 3.679000
! to proton shift 2.120000
! from heavyatom shift 60.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 253
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 78 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC255
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43900.000000
! from proton shift 3.678000
! to proton shift 1.427000
! from heavyatom shift 59.997000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 255
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name ha) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 78 and resn glu and name ha) (resid 81 and resn LEU and name hb*)
!
! peak name 3dC258
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39400.000000
! from proton shift 4.162000
! to proton shift 0.898000
! from heavyatom shift 45.243000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 258
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn GLY and name ha*) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC259
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 66500.000000
! from proton shift 4.528000
! to proton shift 1.986000
! from heavyatom shift 54.953000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 259
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name ha) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61400.000000
! from proton shift 4.231000
! to proton shift 0.408000
! from heavyatom shift 55.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 260
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC261
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 486000.000000
! from proton shift 4.231000
! to proton shift 0.875000
! from heavyatom shift 55.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 261
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC262
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 4.225000
! to proton shift 1.429000
! from heavyatom shift 55.056000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 262
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name ha) (resid 81 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC269
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30600.000000
! from proton shift 1.791000
! to proton shift 3.672000
! from heavyatom shift 43.630000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 269
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 78 and resn glu and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC270
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 98500.000000
! from proton shift 1.803000
! to proton shift 0.865000
! from heavyatom shift 43.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 270
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC271
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 1.804000
! to proton shift 0.408000
! from heavyatom shift 43.661000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 271
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC274
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65800.000000
! from proton shift 2.075000
! to proton shift 0.926000
! from heavyatom shift 44.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 274
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC276
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27800.000000
! from proton shift 2.078000
! to proton shift 3.406000
! from heavyatom shift 44.134000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 276
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 34 and resn ile and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43000.000000
! from proton shift 2.083000
! to proton shift 4.149000
! from heavyatom shift 44.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 277
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 46 and resn LEU and name hb*) (resid 46 and resn leu and name ha)
!
! peak name 3dC280
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52700.000000
! from proton shift 3.170000
! to proton shift 0.948000
! from heavyatom shift 43.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 280
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hd*) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dC281
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 43900.000000
! from proton shift 3.277000
! to proton shift 0.815000
! from heavyatom shift 43.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 281
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hd*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC283
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81900.000000
! from proton shift 3.160000
! to proton shift 1.457000
! from heavyatom shift 43.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 283
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC284
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 3.273000
! to proton shift 1.671000
! from heavyatom shift 43.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 284
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hg*) 2.250000 0.450000 0.450000
or (resid 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hg*)
!
! peak name 3dC285
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 432000.000000
! from proton shift 3.284000
! to proton shift 1.884000
! from heavyatom shift 43.822000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 285
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hb*) 2.250000 0.450000 0.450000
or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hg*)
!
! peak name 3dC286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56000.000000
! from proton shift 3.287000
! to proton shift 2.214000
! from heavyatom shift 43.820000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 286
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hd*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC287
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 3.155000
! to proton shift 2.217000
! from heavyatom shift 43.900000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 287
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hd*) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hd*) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56700.000000
! from proton shift 1.893000
! to proton shift 3.682000
! from heavyatom shift 38.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 289
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hb) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
or (resid 54 and resn ile and name hb) (resid 74 and resn arg and name ha)
!
! peak name 3dC290
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45000.000000
! from proton shift 1.894000
! to proton shift 3.480000
! from heavyatom shift 38.078000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 290
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hb) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC291
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9740.000000
! from proton shift 1.898000
! to proton shift 3.282000
! from heavyatom shift 37.996000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 291
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hb) (resid 74 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC292
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16400.000000
! from proton shift 1.908000
! to proton shift 3.159000
! from heavyatom shift 37.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 292
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hb) (resid 74 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC293
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 198000.000000
! from proton shift 2.122000
! to proton shift 3.126000
! from heavyatom shift 34.051000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 293
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC294
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76900.000000
! from proton shift 2.131000
! to proton shift 3.930000
! from heavyatom shift 33.968000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 294
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 47 and resn met and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC295
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 2.137000
! to proton shift 2.473000
! from heavyatom shift 34.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 295
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC296
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13500.000000
! from proton shift 2.137000
! to proton shift 1.086000
! from heavyatom shift 33.900000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 296
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC297
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 25800.000000
! from proton shift 2.131000
! to proton shift 0.985000
! from heavyatom shift 33.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 297
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 3 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC298
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41500.000000
! from proton shift 2.488000
! to proton shift 0.875000
! from heavyatom shift 33.497000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 298
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC299
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 32800.000000
! from proton shift 2.490000
! to proton shift 0.406000
! from heavyatom shift 33.493000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 299
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC3
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 209000.000000
! from proton shift 0.900000
! to proton shift 1.589000
! from heavyatom shift 12.542000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 3
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hg2#) 2.750000 0.950000 0.950000
!
! peak name 3dC300
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39800.000000
! from proton shift 2.517000
! to proton shift 3.927000
! from heavyatom shift 33.482000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 300
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000
or (resid 47 and resn MET and name hb*) (resid 77 and resn leu and name ha)
!
! peak name 3dC302
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24900.000000
! from proton shift 2.670000
! to proton shift 1.205000
! from heavyatom shift 33.005000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 302
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 77 and resn LEU and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC303
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21500.000000
! from proton shift 2.684000
! to proton shift 0.408000
! from heavyatom shift 32.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 303
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC304
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21800.000000
! from proton shift 2.230000
! to proton shift 1.466000
! from heavyatom shift 32.970000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 304
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 53 and resn LEU and name hb*) 3.900000 2.100000 2.100000
or (resid 51 and resn MET and name hb*) (resid 74 and resn ARG and name hg*)
!
! peak name 3dC306
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67800.000000
! from proton shift 2.237000
! to proton shift 4.198000
! from heavyatom shift 33.005000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 306
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 48 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC307
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 2.231000
! to proton shift 3.677000
! from heavyatom shift 32.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 307
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC309
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 2.219000
! to proton shift 3.155000
! from heavyatom shift 30.137000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 309
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn ARG and name hb*) (resid 71 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC310
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 2.020000
! to proton shift 2.394000
! from heavyatom shift 27.312000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 310
! note degeneracy 68, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hg*) (resid 62 and resn PRO and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC311
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 406000.000000
! from proton shift 1.710000
! to proton shift 1.163000
! from heavyatom shift 27.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 311
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hg12) 2.500000 0.700000 0.700000
or (resid 20 and resn ile and name hg11) (resid 20 and resn ile and name hg2#)
!
! peak name 3dC315
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 471000.000000
! from proton shift 4.289000
! to proton shift 1.244000
! from heavyatom shift 68.679000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 315
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 75 and resn thr and name hg2#) 2.500000 0.700000 0.700000
!
! peak name 3dC316
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17400.000000
! from proton shift 4.301000
! to proton shift 2.116000
! from heavyatom shift 68.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 316
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 73 and resn LEU and name hb*) 3.900000 2.100000 2.100000
or (resid 75 and resn thr and name hb) (resid 76 and resn GLN and name hg*)
!
! peak name 3dC317
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14900.000000
! from proton shift 4.304000
! to proton shift 2.189000
! from heavyatom shift 68.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 317
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 72 and resn GLU and name hb*) 3.900000 2.100000 2.100000
or (resid 75 and resn thr and name hb) (resid 72 and resn GLU and name hb*)
!
! peak name 3dC319
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 287000.000000
! from proton shift 4.290000
! to proton shift 4.082000
! from heavyatom shift 68.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 319
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hb) (resid 75 and resn thr and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC323
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 488000.000000
! from proton shift 3.497000
! to proton shift 0.843000
! from heavyatom shift 66.202000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 323
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name ha) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC324
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 248000.000000
! from proton shift 3.493000
! to proton shift -0.069000
! from heavyatom shift 66.237000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 324
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name ha) (resid 8 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC325
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 134000.000000
! from proton shift 3.488000
! to proton shift 0.197000
! from heavyatom shift 66.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 325
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name ha) (resid 27 and resn ile and name hd*) 2.800000 1.000000 1.000000
or (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hd*)
!
! peak name 3dC329
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 3.418000
! to proton shift 0.901000
! from heavyatom shift 66.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 329
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name ha) (resid 34 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC330
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31300.000000
! from proton shift 3.414000
! to proton shift 1.181000
! from heavyatom shift 66.435000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 330
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name ha) (resid 46 and resn LEU and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC331
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 3.496000
! to proton shift 1.405000
! from heavyatom shift 66.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 331
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name ha) (resid 11 and resn ala and name hb#) 2.500000 0.700000 0.700000
or (resid 8 and resn val and name ha) (resid 11 and resn ala and name hb#)
!
! peak name 3dC333
! bounds 3.300000 1.800000
! likelihood 0.980000
! intensity 173000.000000
! from proton shift 3.497000
! to proton shift 1.741000
! from heavyatom shift 66.192000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 333
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hg11) 2.550000 0.750000 0.750000
!
! peak name 3dC334
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 3.497000
! to proton shift 1.887000
! from heavyatom shift 66.126000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 334
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name ha) (resid 30 and resn LYS and name hb*) 2.550000 0.750000 0.750000
or (resid 54 and resn ile and name ha) (resid 54 and resn ile and name hb)
!
! peak name 3dC337
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65500.000000
! from proton shift 4.124000
! to proton shift 1.741000
! from heavyatom shift 66.104000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 337
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn pro and name ha) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC339
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 45600.000000
! from proton shift 4.514000
! to proton shift 1.051000
! from heavyatom shift 64.613000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 339
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn pro and name ha) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC340
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 214000.000000
! from proton shift 4.516000
! to proton shift 2.392000
! from heavyatom shift 64.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 340
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC341
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42900.000000
! from proton shift 4.511000
! to proton shift 3.379000
! from heavyatom shift 64.731000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 341
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn pro and name ha) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC343
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 323000.000000
! from proton shift 3.969000
! to proton shift 4.378000
! from heavyatom shift 64.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 343
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn SER and name hb*) (resid 60 and resn ser and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC351
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 4.528000
! to proton shift 2.314000
! from heavyatom shift 62.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 351
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn pro and name ha) (resid 19 and resn PRO and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC352
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81600.000000
! from proton shift 4.529000
! to proton shift 2.009000
! from heavyatom shift 62.548000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 352
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn pro and name ha) (resid 19 and resn PRO and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC354
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71400.000000
! from proton shift 4.514000
! to proton shift 4.090000
! from heavyatom shift 62.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 354
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn pro and name ha) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC355
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 4.527000
! to proton shift 1.828000
! from heavyatom shift 62.580000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 355
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn pro and name ha) (resid 19 and resn PRO and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC356
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55400.000000
! from proton shift 3.914000
! to proton shift 1.571000
! from heavyatom shift 62.750000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 356
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name ha) (resid 16 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dC357
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 3.916000
! to proton shift 1.822000
! from heavyatom shift 62.702000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 357
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name ha) (resid 16 and resn ile and name hb) 2.550000 0.750000 0.750000
!
! peak name 3dC358
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 95200.000000
! from proton shift 3.909000
! to proton shift 1.254000
! from heavyatom shift 62.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 358
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name ha) (resid 16 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC360
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 4.097000
! to proton shift 1.164000
! from heavyatom shift 62.717000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 360
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name ha) (resid 20 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC361
! bounds 3.300000 1.800000
! likelihood 0.900000
! intensity 77400.000000
! from proton shift 4.097000
! to proton shift 1.706000
! from heavyatom shift 62.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 361
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name ha) (resid 20 and resn ile and name hg11) 2.550000 0.750000 0.750000
!
! peak name 3dC362
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 92100.000000
! from proton shift 4.091000
! to proton shift 1.850000
! from heavyatom shift 62.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 362
! note degeneracy 62, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name ha) (resid 20 and resn ile and name hb) 2.550000 0.750000 0.750000
!
! peak name 3dC366
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 155000.000000
! from proton shift 4.069000
! to proton shift 3.111000
! from heavyatom shift 61.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 366
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name ha) (resid 57 and resn TYR and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC370
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38100.000000
! from proton shift 4.014000
! to proton shift 2.317000
! from heavyatom shift 51.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 370
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC372
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 1040000.000000
! from proton shift 4.117000
! to proton shift 1.415000
! from heavyatom shift 54.660000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 372
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name ha) (resid 11 and resn ala and name hb#) 2.500000 0.700000 0.700000
or (resid 11 and resn ala and name ha) (resid 11 and resn ala and name hb#)
!
! peak name 3dC377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42800.000000
! from proton shift 4.039000
! to proton shift 0.626000
! from heavyatom shift 56.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 377
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name ha) (resid 12 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC378
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83400.000000
! from proton shift 4.047000
! to proton shift 1.318000
! from heavyatom shift 56.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 378
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name ha) (resid 12 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC379
! bounds 2.700000 1.800000
! likelihood 0.980000
! intensity 213000.000000
! from proton shift 4.040000
! to proton shift 2.869000
! from heavyatom shift 56.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 379
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name ha) (resid 12 and resn ARG and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC381
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43100.000000
! from proton shift 4.177000
! to proton shift 2.196000
! from heavyatom shift 56.354000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 381
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name ha) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC383
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 136000.000000
! from proton shift 3.553000
! to proton shift 1.513000
! from heavyatom shift 57.443000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 383
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 73 and resn LEU and name hb*) 2.800000 1.000000 1.000000
or (resid 73 and resn leu and name ha) (resid 77 and resn LEU and name hd*)
!
! peak name 3dC385
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19500.000000
! from proton shift 3.547000
! to proton shift 1.978000
! from heavyatom shift 57.446000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 385
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name ha) (resid 74 and resn ARG and name hb*) 3.900000 2.100000 2.100000
or (resid 73 and resn leu and name ha) (resid 72 and resn GLU and name hg*)
!
! peak name 3dC388
! bounds 3.300000 1.800000
! likelihood 0.950000
! intensity 104000.000000
! from proton shift 4.353000
! to proton shift 1.161000
! from heavyatom shift 60.169000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 388
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hg11) 2.550000 0.750000 0.750000
!
! peak name 3dC389
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 77000.000000
! from proton shift 4.349000
! to proton shift 1.600000
! from heavyatom shift 60.131000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 389
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hg2#) 2.800000 1.000000 1.000000
!
! peak name 3dC390
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 72900.000000
! from proton shift 4.354000
! to proton shift 1.890000
! from heavyatom shift 60.114000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 390
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hb) 2.800000 1.000000 1.000000
or (resid 39 and resn ile and name ha) (resid 39 and resn ile and name hg2#)
!
! peak name 3dC391
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 399000.000000
! from proton shift 4.389000
! to proton shift 3.954000
! from heavyatom shift 59.970000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 391
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name ha) (resid 60 and resn SER and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC393
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 4.274000
! to proton shift 3.248000
! from heavyatom shift 59.523000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 393
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name ha) (resid 35 and resn HIS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC395
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 378000.000000
! from proton shift 3.925000
! to proton shift 2.339000
! from heavyatom shift 59.284000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 395
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name ha) (resid 58 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC4
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 247000.000000
! from proton shift 0.907000
! to proton shift 1.165000
! from heavyatom shift 12.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 4
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hg11) 2.500000 0.700000 0.700000
!
! peak name 3dC400
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 56300.000000
! from proton shift 3.745000
! to proton shift 2.079000
! from heavyatom shift 63.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 400
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn SER and name hb*) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 37 and resn SER and name hb*) (resid 42 and resn GLU and name hb*)
!
! peak name 3dC408
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94500.000000
! from proton shift 3.681000
! to proton shift 1.277000
! from heavyatom shift 60.888000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 408
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name ha) (resid 25 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC409
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51900.000000
! from proton shift 3.692000
! to proton shift 2.669000
! from heavyatom shift 60.950000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 409
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name ha) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn arg and name ha) (resid 51 and resn MET and name hb*)
!
! peak name 3dC410
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 462000.000000
! from proton shift 3.692000
! to proton shift 2.225000
! from heavyatom shift 60.948000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 410
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name ha) (resid 51 and resn MET and name hb*) 2.250000 0.450000 0.450000
or (resid 74 and resn arg and name ha) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC411
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 3.705000
! to proton shift 1.453000
! from heavyatom shift 60.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 411
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name ha) (resid 74 and resn ARG and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC413
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65600.000000
! from proton shift 3.950000
! to proton shift 2.470000
! from heavyatom shift 60.922000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 413
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name ha) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC414
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 263000.000000
! from proton shift 3.818000
! to proton shift 2.076000
! from heavyatom shift 61.010000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 414
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name ha) (resid 46 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC416
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 42200.000000
! from proton shift 3.830000
! to proton shift 1.205000
! from heavyatom shift 61.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 416
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name ha) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC42
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 0.510000
! to proton shift 2.099000
! from heavyatom shift 16.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 42
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 34 and resn ile and name hb) 2.800000 1.000000 1.000000
!
! peak name 3dC423
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 3.885000
! to proton shift 0.984000
! from heavyatom shift 50.269000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 423
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 6 and resn PRO and name hd*) (resid 5 and resn thr and name hg1)
!
! peak name 3dC424
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 3.883000
! to proton shift 2.320000
! from heavyatom shift 50.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 424
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hb*) 2.550000 0.750000 0.750000
or (resid 6 and resn PRO and name hd*) (resid 6 and resn PRO and name hg*)
!
! peak name 3dC425
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 38000.000000
! from proton shift 2.491000
! to proton shift 0.757000
! from heavyatom shift 27.916000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 425
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC427
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36700.000000
! from proton shift 1.460000
! to proton shift 3.282000
! from heavyatom shift 28.204000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 427
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC428
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44700.000000
! from proton shift 1.463000
! to proton shift 3.696000
! from heavyatom shift 28.274000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 428
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hg*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hg*) (resid 74 and resn arg and name ha)
!
! peak name 3dC429
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44900.000000
! from proton shift 1.457000
! to proton shift 3.148000
! from heavyatom shift 28.189000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 429
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC43
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22700.000000
! from proton shift 0.512000
! to proton shift 1.640000
! from heavyatom shift 16.507000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 43
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 31 and resn LEU and name hd*) 4.400000 2.600000 2.600000
!
! peak name 3dC430
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 1.455000
! to proton shift 2.218000
! from heavyatom shift 28.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 430
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn ARG and name hg*) (resid 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn ARG and name hg*) (resid 74 and resn ARG and name hb*)
!
! peak name 3dC431
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 85100.000000
! from proton shift 1.983000
! to proton shift 3.670000
! from heavyatom shift 29.700000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 431
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hb*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC432
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27900.000000
! from proton shift 1.395000
! to proton shift 3.777000
! from heavyatom shift 29.945000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 432
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hb*) (resid 9 and resn leu and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC433
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74500.000000
! from proton shift 2.541000
! to proton shift 3.669000
! from heavyatom shift 37.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 433
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC436
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 2.131000
! to proton shift 1.980000
! from heavyatom shift 37.438000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 436
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC437
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 2.129000
! to proton shift 2.347000
! from heavyatom shift 37.290000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 437
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC438
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.210000
! to proton shift 0.803000
! from heavyatom shift 41.631000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 438
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 77 and resn LEU and name hd*) 2.800000 1.000000 1.000000
or (resid 77 and resn LEU and name hb*) (resid 77 and resn leu and name hg)
!
! peak name 3dC439
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 20500.000000
! from proton shift 1.205000
! to proton shift 0.410000
! from heavyatom shift 41.590000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 439
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC44
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79800.000000
! from proton shift 0.509000
! to proton shift 3.406000
! from heavyatom shift 16.469000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 44
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 34 and resn ile and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC441
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 36900.000000
! from proton shift 1.203000
! to proton shift 1.982000
! from heavyatom shift 41.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 441
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 77 and resn LEU and name hb*) (resid 78 and resn GLU and name hb*)
or (resid 77 and resn LEU and name hb*) (resid 50 and resn LEU and name hb*)
!
! peak name 3dC442
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27200.000000
! from proton shift 1.213000
! to proton shift 1.909000
! from heavyatom shift 41.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 442
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000
or (resid 77 and resn LEU and name hb*) (resid 51 and resn MET and name hg*)
or (resid 77 and resn LEU and name hb*) (resid 51 and resn MET and name hg*)
!
! peak name 3dC443
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25700.000000
! from proton shift 1.206000
! to proton shift 1.779000
! from heavyatom shift 41.543000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 443
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 47 and resn MET and name hg*) 3.900000 2.100000 2.100000
or (resid 77 and resn LEU and name hb*) (resid 81 and resn LEU and name hb*)
!
! peak name 3dC444
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27700.000000
! from proton shift 1.208000
! to proton shift 3.686000
! from heavyatom shift 41.515000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 444
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 51 and resn met and name ha) 3.900000 2.100000 2.100000
or (resid 77 and resn LEU and name hb*) (resid 74 and resn arg and name ha)
or (resid 77 and resn LEU and name hb*) (resid 78 and resn glu and name ha)
!
! peak name 3dC445
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 1.210000
! to proton shift 3.905000
! from heavyatom shift 41.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 445
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hb*) (resid 77 and resn leu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC446
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 1.882000
! to proton shift 1.164000
! from heavyatom shift 41.737000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 446
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn LEU and name hd*) 2.800000 1.000000 1.000000
or (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name hg)
!
! peak name 3dC447
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43500.000000
! from proton shift 1.555000
! to proton shift 4.393000
! from heavyatom shift 43.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 447
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hb*) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC449
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62900.000000
! from proton shift 1.568000
! to proton shift 1.153000
! from heavyatom shift 42.925000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 449
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*)
or (resid 31 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC45
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.511000
! to proton shift 3.277000
! from heavyatom shift 16.475000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 45
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC450
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 89800.000000
! from proton shift 1.570000
! to proton shift 0.953000
! from heavyatom shift 42.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 450
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 31 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC451
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 3.916000
! to proton shift 1.194000
! from heavyatom shift 57.691000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 451
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name ha) (resid 66 and resn ARG and name hg*) 2.550000 0.750000 0.750000
or (resid 77 and resn leu and name ha) (resid 77 and resn LEU and name hb*)
!
! peak name 3dC452
! bounds 2.700000 1.800000
! likelihood 0.970000
! intensity 228000.000000
! from proton shift 3.922000
! to proton shift 1.426000
! from heavyatom shift 57.732000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 452
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name ha) (resid 80 and resn ala and name hb#) 2.500000 0.700000 0.700000
!
! peak name 3dC453
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 398000.000000
! from proton shift 3.916000
! to proton shift 0.815000
! from heavyatom shift 57.706000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 453
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name ha) (resid 77 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC455
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 47500.000000
! from proton shift 4.477000
! to proton shift 1.241000
! from heavyatom shift 58.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 455
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC457
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 1160000.000000
! from proton shift 4.161000
! to proton shift 0.925000
! from heavyatom shift 57.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 457
! note degeneracy 184, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name ha) (resid 46 and resn LEU and name hd*) 2.500000 0.700000 0.700000
or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hd*)
or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hd*)
!
! peak name 3dC46
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 0.520000
! to proton shift 3.179000
! from heavyatom shift 16.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 46
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC460
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 136000.000000
! from proton shift 4.159000
! to proton shift 2.951000
! from heavyatom shift 59.485000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 460
! note degeneracy 70, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC461
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 63200.000000
! from proton shift 3.843000
! to proton shift 2.757000
! from heavyatom shift 60.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 461
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name ha) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC462
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 3.832000
! to proton shift 1.976000
! from heavyatom shift 60.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 462
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name ha) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000
or (resid 7 and resn glu and name ha) (resid 10 and resn LYS and name hb*)
!
! peak name 3dC463
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 4.837000
! to proton shift 2.997000
! from heavyatom shift 53.173000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 463
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name ha) (resid 36 and resn ASN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC464
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94100.000000
! from proton shift 4.837000
! to proton shift 2.744000
! from heavyatom shift 53.147000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 464
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name ha) (resid 36 and resn ASN and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC466
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 99000.000000
! from proton shift 4.439000
! to proton shift 3.214000
! from heavyatom shift 57.075000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 466
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 86 and resn his and name ha) (resid 86 and resn HIS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC468
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 119000.000000
! from proton shift 3.417000
! to proton shift 2.091000
! from heavyatom shift 66.447000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 468
! note degeneracy 75, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name ha) (resid 34 and resn ile and name hb) 2.550000 0.750000 0.750000
!
! peak name 3dC47
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 21200.000000
! from proton shift 0.512000
! to proton shift 3.120000
! from heavyatom shift 16.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 47
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC470
! bounds 3.300000 1.800000
! likelihood 0.910000
! intensity 97700.000000
! from proton shift 3.429000
! to proton shift 1.912000
! from heavyatom shift 66.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 470
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name ha) (resid 34 and resn ile and name hg12) 2.550000 0.750000 0.750000
!
! peak name 3dC472
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 9280.000000
! from proton shift 0.206000
! to proton shift 0.934000
! from heavyatom shift 13.385000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 472
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 46 and resn LEU and name hd*) 4.400000 2.600000 2.600000
or (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hd*)
or (resid 27 and resn ile and name hd*) (resid 54 and resn ile and name hg2#)
!
! peak name 3dC473
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 18500.000000
! from proton shift 0.205000
! to proton shift 0.817000
! from heavyatom shift 13.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 473
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 46 and resn LEU and name hd*) 4.400000 2.600000 2.600000
or (resid 27 and resn ile and name hd*) (resid 77 and resn LEU and name hd*)
!
! peak name 3dC474
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 8660.000000
! from proton shift 0.198000
! to proton shift 1.439000
! from heavyatom shift 13.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 474
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hd*) (resid 53 and resn LEU and name hb*) 4.400000 2.600000 2.600000
or (resid 27 and resn ile and name hd*) (resid 73 and resn LEU and name hd*)
!
! peak name 3dC48
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 0.519000
! to proton shift 4.259000
! from heavyatom shift 16.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 48
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 35 and resn his and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC482
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10500.000000
! from proton shift -0.060000
! to proton shift 0.617000
! from heavyatom shift 20.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 482
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC483
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19200.000000
! from proton shift -0.064000
! to proton shift 1.307000
! from heavyatom shift 20.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 483
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC484
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12000.000000
! from proton shift -0.058000
! to proton shift 1.407000
! from heavyatom shift 20.268000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 484
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#) 4.400000 2.600000 2.600000
or (resid 8 and resn VAL and name hg*) (resid 11 and resn ala and name hb#)
or (resid 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hb*)
or (resid 8 and resn VAL and name hg*) (resid 73 and resn LEU and name hd*)
!
! peak name 3dC485
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 74900.000000
! from proton shift -0.063000
! to proton shift 1.717000
! from heavyatom shift 20.174000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 485
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 8 and resn val and name hb) 2.800000 1.000000 1.000000
!
! peak name 3dC486
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 6110.000000
! from proton shift -0.073000
! to proton shift 2.858000
! from heavyatom shift 20.128000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 486
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 12 and resn ARG and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC487
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11900.000000
! from proton shift -0.062000
! to proton shift 3.334000
! from heavyatom shift 20.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 487
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 4 and resn TRP and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC488
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63800.000000
! from proton shift -0.061000
! to proton shift 3.487000
! from heavyatom shift 20.164000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 488
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn VAL and name hg*) (resid 8 and resn val and name ha) 3.650000 1.850000 1.850000
!
! peak name 3dC49
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11600.000000
! from proton shift 0.514000
! to proton shift 4.194000
! from heavyatom shift 16.534000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 49
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 31 and resn leu and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC492
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 0.960000
! to proton shift 3.483000
! from heavyatom shift 17.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 492
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC493
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 19300.000000
! from proton shift 0.958000
! to proton shift 3.683000
! from heavyatom shift 17.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 493
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 51 and resn met and name ha) 4.150000 2.350000 2.350000
or (resid 54 and resn ile and name hg2#) (resid 74 and resn arg and name ha)
!
! peak name 3dC494
! bounds 3.300000 1.800000
! likelihood 0.970000
! intensity 110000.000000
! from proton shift 0.961000
! to proton shift 3.179000
! from heavyatom shift 17.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 494
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 70 and resn PHE and name hb*) 2.800000 1.000000 1.000000
!
! peak name 3dC495
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 53300.000000
! from proton shift 0.959000
! to proton shift 3.280000
! from heavyatom shift 17.611000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 495
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 74 and resn ARG and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC496
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 12800.000000
! from proton shift 0.953000
! to proton shift 2.336000
! from heavyatom shift 17.683000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 496
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 58 and resn GLU and name hb*) 4.150000 2.350000 2.350000
or (resid 54 and resn ile and name hg2#) (resid 59 and resn GLU and name hb*)
!
! peak name 3dC497
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16600.000000
! from proton shift 0.963000
! to proton shift 2.141000
! from heavyatom shift 17.501000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 497
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 27 and resn ile and name hb) 4.150000 2.350000 2.350000
or (resid 54 and resn ile and name hg2#) (resid 52 and resn GLU and name hb*)
or (resid 54 and resn ile and name hg2#) (resid 58 and resn GLU and name hg*)
or (resid 54 and resn ile and name hg2#) (resid 59 and resn GLU and name hb*)
or (resid 54 and resn ile and name hg2#) (resid 73 and resn LEU and name hb*)
!
! peak name 3dC498
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59000.000000
! from proton shift 0.959000
! to proton shift 1.754000
! from heavyatom shift 17.644000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 498
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hg11) 3.650000 1.850000 1.850000
!
! peak name 3dC499
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 262000.000000
! from proton shift 0.959000
! to proton shift 1.884000
! from heavyatom shift 17.646000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 499
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hb) 2.500000 0.700000 0.700000
!
! peak name 3dC5
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 0.741000
! to proton shift 1.701000
! from heavyatom shift 12.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 5
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 2.800000 1.000000 1.000000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11)
!
! peak name 3dC50
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 10800.000000
! from proton shift 0.516000
! to proton shift 3.805000
! from heavyatom shift 16.536000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 50
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 43 and resn arg and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC500
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 224000.000000
! from proton shift 0.956000
! to proton shift 0.695000
! from heavyatom shift 17.658000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 500
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hd*) 2.750000 0.950000 0.950000
!
! peak name 3dC501
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15800.000000
! from proton shift 0.945000
! to proton shift 0.202000
! from heavyatom shift 17.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 501
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg2#) (resid 27 and resn ile and name hd*) 4.400000 2.600000 2.600000
or (resid 54 and resn ile and name hg2#) (resid 54 and resn ile and name hd*)
!
! peak name 3dC505
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 0.417000
! to proton shift 0.872000
! from heavyatom shift 25.196000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 505
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hg) (resid 56 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC507
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55300.000000
! from proton shift 0.350000
! to proton shift 3.671000
! from heavyatom shift 24.772000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 507
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 25 and resn lys and name ha) 3.650000 1.850000 1.850000
!
! peak name 3dC508
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 0.349000
! to proton shift 3.814000
! from heavyatom shift 24.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 508
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 7 and resn glu and name ha) 4.150000 2.350000 2.350000
or (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name ha)
!
! peak name 3dC509
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.986000
! to proton shift 1.836000
! from heavyatom shift 21.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 509
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 3 and resn val and name hb) 2.500000 0.700000 0.700000
!
! peak name 3dC516
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 69900.000000
! from proton shift 0.993000
! to proton shift 1.905000
! from heavyatom shift 21.674000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 516
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 76 and resn GLN and name hb*) 3.900000 2.100000 2.100000
or (resid 3 and resn VAL and name hg*) (resid 34 and resn ile and name hg12)
or (resid 3 and resn VAL and name hg*) (resid 39 and resn ile and name hg2#)
!
! peak name 3dC517
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76600.000000
! from proton shift 0.981000
! to proton shift 4.272000
! from heavyatom shift 21.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 517
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 3 and resn val and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC518
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 0.890000
! to proton shift 4.188000
! from heavyatom shift 21.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 518
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn VAL and name hg*) (resid 14 and resn ser and name ha) 2.800000 1.000000 1.000000
or (resid 15 and resn VAL and name hg*) (resid 15 and resn val and name ha)
!
! peak name 3dC524
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 0.930000
! to proton shift 4.148000
! from heavyatom shift 22.440000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 524
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hd*) (resid 53 and resn leu and name ha) 2.500000 0.700000 0.700000
or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name ha)
!
! peak name 3dC527
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46700.000000
! from proton shift 0.927000
! to proton shift 2.081000
! from heavyatom shift 22.390000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 527
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 33 and resn ARG and name hb*) 3.650000 1.850000 1.850000
or (resid 53 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*)
or (resid 46 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*)
or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*)
or (resid 53 and resn LEU and name hd*) (resid 26 and resn ARG and name hb*)
!
! peak name 3dC528
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 0.933000
! to proton shift 1.971000
! from heavyatom shift 22.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 528
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hd*) (resid 53 and resn leu and name hg) 2.800000 1.000000 1.000000
or (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hb*)
!
! peak name 3dC530
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 1.252000
! to proton shift 4.083000
! from heavyatom shift 22.159000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 530
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hg2#) (resid 75 and resn thr and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC531
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 1.254000
! to proton shift 2.916000
! from heavyatom shift 22.187000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 531
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hg2#) (resid 79 and resn LYS and name he*) 3.650000 1.850000 1.850000
!
! peak name 3dC543
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 1.596000
! to proton shift 4.090000
! from heavyatom shift 25.252000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 543
! note degeneracy 150, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn lys and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC544
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 1.245000
! to proton shift 3.769000
! from heavyatom shift 23.961000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 544
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hd*) (resid 9 and resn leu and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC545
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82500.000000
! from proton shift 0.349000
! to proton shift 1.769000
! from heavyatom shift 24.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 545
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hb*) 2.800000 1.000000 1.000000
or (resid 28 and resn LEU and name hd*) (resid 28 and resn LEU and name hb*)
!
! peak name 3dC546
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30800.000000
! from proton shift 0.352000
! to proton shift 1.577000
! from heavyatom shift 24.751000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 546
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hd*) 4.150000 2.350000 2.350000
or (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name hg*)
or (resid 28 and resn LEU and name hd*) (resid 31 and resn LEU and name hb*)
!
! peak name 3dC548
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 102000.000000
! from proton shift 0.350000
! to proton shift 1.488000
! from heavyatom shift 24.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 548
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name hg) 3.050000 1.250000 1.250000
or (resid 28 and resn LEU and name hd*) (resid 29 and resn ala and name hb#)
!
! peak name 3dC549
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12400.000000
! from proton shift 0.354000
! to proton shift 2.767000
! from heavyatom shift 24.755000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 549
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000
or (resid 28 and resn LEU and name hd*) (resid 25 and resn LYS and name he*)
!
! peak name 3dC550
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 60300.000000
! from proton shift 0.890000
! to proton shift 2.323000
! from heavyatom shift 24.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 550
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 7 and resn GLU and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC551
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 157000.000000
! from proton shift 0.887000
! to proton shift 3.821000
! from heavyatom shift 24.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 551
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 7 and resn glu and name ha) 2.800000 1.000000 1.000000
or (resid 28 and resn LEU and name hd*) (resid 28 and resn leu and name ha)
!
! peak name 3dC552
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17400.000000
! from proton shift 0.887000
! to proton shift 2.759000
! from heavyatom shift 24.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 552
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000
or (resid 28 and resn LEU and name hd*) (resid 25 and resn LYS and name he*)
!
! peak name 3dC553
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23800.000000
! from proton shift 0.891000
! to proton shift 0.531000
! from heavyatom shift 24.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 553
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hd*) (resid 27 and resn ile and name hg11) 4.400000 2.600000 2.600000
or (resid 28 and resn LEU and name hd*) (resid 34 and resn ile and name hd*)
!
! peak name 3dC554
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 0.909000
! to proton shift 1.748000
! from heavyatom shift 24.664000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 554
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn LEU and name hd*) (resid 40 and resn LEU and name hb*) 2.800000 1.000000 1.000000
!
! peak name 3dC555
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 68100.000000
! from proton shift 0.960000
! to proton shift 4.118000
! from heavyatom shift 26.828000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 555
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC556
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 59500.000000
! from proton shift 1.186000
! to proton shift 4.087000
! from heavyatom shift 27.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 556
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hg12) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC557
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24300.000000
! from proton shift 1.173000
! to proton shift 4.339000
! from heavyatom shift 26.937000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 557
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg11) (resid 39 and resn ile and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC568
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 15300.000000
! from proton shift 1.260000
! to proton shift 2.143000
! from heavyatom shift 24.024000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 568
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hd*) (resid 31 and resn LEU and name hb*) 4.150000 2.350000 2.350000
or (resid 9 and resn LEU and name hd*) (resid 73 and resn LEU and name hb*)
or (resid 9 and resn LEU and name hd*) (resid 76 and resn GLN and name hg*)
!
! peak name 3dC570
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26900.000000
! from proton shift 0.633000
! to proton shift -0.075000
! from heavyatom shift 25.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 570
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 46900.000000
! from proton shift 1.319000
! to proton shift -0.070000
! from heavyatom shift 25.958000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 571
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61200.000000
! from proton shift 0.622000
! to proton shift 1.391000
! from heavyatom shift 25.952000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 573
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 11 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hb*)
!
! peak name 3dC574
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44800.000000
! from proton shift 0.628000
! to proton shift 1.616000
! from heavyatom shift 25.949000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 574
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC576
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 30300.000000
! from proton shift 0.626000
! to proton shift 2.870000
! from heavyatom shift 25.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 576
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC577
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66400.000000
! from proton shift 1.308000
! to proton shift 2.878000
! from heavyatom shift 25.956000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 577
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 12 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC578
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 23500.000000
! from proton shift 1.330000
! to proton shift 4.031000
! from heavyatom shift 25.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 578
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 12 and resn arg and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC579
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18200.000000
! from proton shift 0.606000
! to proton shift 4.035000
! from heavyatom shift 26.101000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 579
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn ARG and name hg*) (resid 12 and resn arg and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC580
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56800.000000
! from proton shift 1.283000
! to proton shift 3.669000
! from heavyatom shift 25.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 580
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC581
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 70100.000000
! from proton shift 1.290000
! to proton shift 1.882000
! from heavyatom shift 25.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 581
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC582
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 393000.000000
! from proton shift 1.373000
! to proton shift 1.589000
! from heavyatom shift 26.178000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 582
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC584
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70400.000000
! from proton shift 0.828000
! to proton shift 2.086000
! from heavyatom shift 25.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 584
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 33 and resn ARG and name hb*) 3.650000 1.850000 1.850000
or (resid 46 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*)
or (resid 46 and resn LEU and name hd*) (resid 53 and resn LEU and name hb*)
!
! peak name 3dC585
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 107000.000000
! from proton shift 0.825000
! to proton shift 1.977000
! from heavyatom shift 25.840000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 585
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 30 and resn LYS and name hb*) 2.800000 1.000000 1.000000
or (resid 46 and resn LEU and name hd*) (resid 46 and resn leu and name hg)
or (resid 46 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*)
!
! peak name 3dC586
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 0.825000
! to proton shift 3.910000
! from heavyatom shift 23.311000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 586
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hd*) (resid 47 and resn met and name ha) 2.800000 1.000000 1.000000
or (resid 77 and resn LEU and name hd*) (resid 77 and resn leu and name ha)
!
! peak name 3dC587
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41000.000000
! from proton shift 2.696000
! to proton shift 4.010000
! from heavyatom shift 34.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 587
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hg*) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000
or (resid 44 and resn GLN and name hg*) (resid 45 and resn GLY and name ha*)
!
! peak name 3dC588
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28400.000000
! from proton shift 2.975000
! to proton shift 4.305000
! from heavyatom shift 39.529000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 588
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn ASP and name hb*) (resid 55 and resn asp and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC590
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61800.000000
! from proton shift 2.975000
! to proton shift 4.141000
! from heavyatom shift 39.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 590
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn ASP and name hb*) (resid 52 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 55 and resn ASP and name hb*) (resid 53 and resn leu and name ha)
or (resid 30 and resn LYS and name he*) (resid 30 and resn lys and name ha)
!
! peak name 3dC594
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 69300.000000
! from proton shift 3.116000
! to proton shift 3.480000
! from heavyatom shift 38.540000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 594
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC595
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 50900.000000
! from proton shift 3.128000
! to proton shift 0.198000
! from heavyatom shift 38.580000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 595
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn TYR and name hb*) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 57 and resn TYR and name hb*) (resid 54 and resn ile and name hd*)
!
! peak name 3dC596
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91100.000000
! from proton shift 2.134000
! to proton shift 3.671000
! from heavyatom shift 37.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 596
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC597
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49900.000000
! from proton shift 2.347000
! to proton shift 3.822000
! from heavyatom shift 37.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 597
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC599
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 167000.000000
! from proton shift 2.344000
! to proton shift 1.978000
! from heavyatom shift 36.898000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 599
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC6
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13900.000000
! from proton shift 0.748000
! to proton shift 4.089000
! from heavyatom shift 12.650000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 6
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 4.150000 2.350000 2.350000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha)
!
! peak name 3dC600
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 124000.000000
! from proton shift 2.346000
! to proton shift 1.882000
! from heavyatom shift 36.963000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 600
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC601
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 191000.000000
! from proton shift 2.231000
! to proton shift 1.886000
! from heavyatom shift 36.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 601
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn GLU and name hg*) (resid 7 and resn GLU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC603
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67300.000000
! from proton shift 2.099000
! to proton shift 4.167000
! from heavyatom shift 36.389000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 603
! note degeneracy 140, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn GLU and name hg*) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC604
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64900.000000
! from proton shift 2.103000
! to proton shift 4.012000
! from heavyatom shift 36.030000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 604
! note degeneracy 110, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC605
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62700.000000
! from proton shift 1.985000
! to proton shift 4.015000
! from heavyatom shift 36.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 605
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn GLU and name hg*) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC608
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68500.000000
! from proton shift 1.464000
! to proton shift 4.145000
! from heavyatom shift 42.259000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 608
! note degeneracy 112, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 53 and resn LEU and name hb*) (resid 52 and resn glu and name ha)
or (resid 53 and resn LEU and name hb*) (resid 53 and resn leu and name ha)
!
! peak name 3dC612
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 27100.000000
! from proton shift 1.450000
! to proton shift 0.660000
! from heavyatom shift 42.144000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 612
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 27 and resn ile and name hg2#) 4.150000 2.350000 2.350000
!
! peak name 3dC613
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28100.000000
! from proton shift 1.464000
! to proton shift 0.196000
! from heavyatom shift 42.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 613
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000
or (resid 53 and resn LEU and name hb*) (resid 54 and resn ile and name hd*)
!
! peak name 3dC617
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 1.442000
! to proton shift 0.869000
! from heavyatom shift 43.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 617
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC618
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91800.000000
! from proton shift 1.441000
! to proton shift 0.408000
! from heavyatom shift 43.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 618
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hb*) (resid 81 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC619
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 3.132000
! to proton shift 1.711000
! from heavyatom shift 42.209000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 619
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hd*) 2.550000 0.750000 0.750000
!
! peak name 3dC620
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 196000.000000
! from proton shift 3.143000
! to proton shift 1.595000
! from heavyatom shift 42.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 620
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*) 2.250000 0.450000 0.450000
or (resid 18 and resn LYS and name he*) (resid 18 and resn LYS and name hg*)
!
! peak name 3dC621
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56300.000000
! from proton shift 2.150000
! to proton shift 3.535000
! from heavyatom shift 41.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 621
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC623
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47600.000000
! from proton shift 2.145000
! to proton shift 0.699000
! from heavyatom shift 41.525000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 623
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 77 and resn LEU and name hb*) (resid 54 and resn ile and name hd*)
!
! peak name 3dC624
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 2.146000
! to proton shift 0.954000
! from heavyatom shift 41.491000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 624
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 54 and resn ile and name hg2#) 2.800000 1.000000 1.000000
or (resid 73 and resn LEU and name hb*) (resid 73 and resn leu and name hg)
!
! peak name 3dC625
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 84100.000000
! from proton shift 2.154000
! to proton shift 1.065000
! from heavyatom shift 41.562000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 625
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC627
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 2.148000
! to proton shift 1.427000
! from heavyatom shift 41.562000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 627
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 73 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC628
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70700.000000
! from proton shift 2.159000
! to proton shift 1.978000
! from heavyatom shift 41.577000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 628
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 77 and resn LEU and name hb*) (resid 50 and resn LEU and name hb*)
or (resid 77 and resn LEU and name hb*) (resid 74 and resn ARG and name hb*)
or (resid 77 and resn LEU and name hb*) (resid 78 and resn GLU and name hb*)
!
! peak name 3dC629
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 1.693000
! to proton shift 4.173000
! from heavyatom shift 42.120000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 629
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn LEU and name hb*) (resid 56 and resn leu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC631
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 1.746000
! to proton shift 0.901000
! from heavyatom shift 41.485000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 631
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn LEU and name hb*) (resid 40 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC632
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58300.000000
! from proton shift 1.893000
! to proton shift 3.849000
! from heavyatom shift 41.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 632
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hb*) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC634
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 2.535000
! to proton shift 2.346000
! from heavyatom shift 37.135000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 634
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 78 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC636
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 68300.000000
! from proton shift 2.534000
! to proton shift 1.905000
! from heavyatom shift 37.282000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 636
! note degeneracy 68, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hg*) (resid 51 and resn MET and name hg*) 3.400000 1.600000 1.600000
or (resid 78 and resn GLU and name hg*) (resid 51 and resn MET and name hg*)
!
! peak name 3dC637
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34900.000000
! from proton shift 1.428000
! to proton shift 2.716000
! from heavyatom shift 25.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 637
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC638
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 387000.000000
! from proton shift 1.608000
! to proton shift 1.867000
! from heavyatom shift 25.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 638
! note degeneracy 140, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000
or (resid 30 and resn LYS and name hg*) (resid 30 and resn LYS and name hd*)
!
! peak name 3dC639
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 1.454000
! to proton shift 1.869000
! from heavyatom shift 25.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 639
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn LYS and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC640
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 35000.000000
! from proton shift 1.607000
! to proton shift 0.774000
! from heavyatom shift 25.108000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 640
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 34 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dC643
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 114000.000000
! from proton shift 1.697000
! to proton shift 4.109000
! from heavyatom shift 27.862000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 643
! note degeneracy 168, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hg*) (resid 33 and resn arg and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC645
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39600.000000
! from proton shift 1.868000
! to proton shift 2.712000
! from heavyatom shift 27.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 645
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hd*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC648
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 44800.000000
! from proton shift 2.276000
! to proton shift 0.877000
! from heavyatom shift 28.181000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 648
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hb*) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC650
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 180000.000000
! from proton shift 2.278000
! to proton shift 4.024000
! from heavyatom shift 28.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 650
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn GLN and name hb*) (resid 44 and resn gln and name ha) 2.250000 0.450000 0.450000
or (resid 32 and resn GLN and name hb*) (resid 32 and resn gln and name ha)
!
! peak name 3dC651
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 2.486000
! to proton shift 3.541000
! from heavyatom shift 27.842000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 651
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hb*) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC653
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62300.000000
! from proton shift 2.332000
! to proton shift 3.399000
! from heavyatom shift 28.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 653
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC654
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 48400.000000
! from proton shift 2.043000
! to proton shift 4.115000
! from heavyatom shift 31.755000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 654
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC655
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47800.000000
! from proton shift 2.098000
! to proton shift 3.404000
! from heavyatom shift 38.217000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 655
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hb) (resid 34 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC656
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 190000.000000
! from proton shift 2.465000
! to proton shift 4.240000
! from heavyatom shift 36.938000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 656
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 65 and resn GLU and name hg*) (resid 65 and resn glu and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC657
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 1.979000
! to proton shift 4.096000
! from heavyatom shift 29.826000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 657
! note degeneracy 196, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hb*) (resid 75 and resn thr and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC660
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 73200.000000
! from proton shift 2.356000
! to proton shift 3.669000
! from heavyatom shift 29.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 660
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn GLU and name hb*) (resid 78 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC661
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96800.000000
! from proton shift 1.891000
! to proton shift 1.437000
! from heavyatom shift 30.415000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 661
! note degeneracy 132, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hb*) (resid 30 and resn LYS and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC662
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 178000.000000
! from proton shift 1.903000
! to proton shift 4.109000
! from heavyatom shift 30.603000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 662
! note degeneracy 196, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hb*) (resid 26 and resn arg and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC664
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 25300.000000
! from proton shift 1.899000
! to proton shift 3.466000
! from heavyatom shift 30.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 664
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hb*) (resid 27 and resn ile and name ha) 3.900000 2.100000 2.100000
or (resid 30 and resn LYS and name hb*) (resid 27 and resn ile and name ha)
!
! peak name 3dC666
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63900.000000
! from proton shift 1.895000
! to proton shift 3.808000
! from heavyatom shift 30.990000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 666
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC667
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 94400.000000
! from proton shift 2.078000
! to proton shift 3.809000
! from heavyatom shift 30.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 667
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 43 and resn arg and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC668
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 38800.000000
! from proton shift 2.090000
! to proton shift 3.186000
! from heavyatom shift 31.046000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 668
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC669
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 1.893000
! to proton shift 3.958000
! from heavyatom shift 30.921000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 669
! note degeneracy 100, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC670
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37000.000000
! from proton shift 2.087000
! to proton shift 3.963000
! from heavyatom shift 31.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 670
! note degeneracy 88, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hb*) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC671
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68600.000000
! from proton shift 1.902000
! to proton shift 0.819000
! from heavyatom shift 30.570000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 671
! note degeneracy 105, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 30 and resn LYS and name hb*) (resid 77 and resn LEU and name hd*)
!
! peak name 3dC673
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 72400.000000
! from proton shift 3.140000
! to proton shift 1.066000
! from heavyatom shift 30.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 673
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC674
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 50000.000000
! from proton shift 3.339000
! to proton shift 1.064000
! from heavyatom shift 30.492000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 674
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC675
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34200.000000
! from proton shift 3.359000
! to proton shift 0.953000
! from heavyatom shift 30.569000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 675
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC676
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 3.133000
! to proton shift 0.953000
! from heavyatom shift 30.603000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 676
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC677
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 31700.000000
! from proton shift 3.339000
! to proton shift -0.070000
! from heavyatom shift 30.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 677
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC679
! bounds 6.000000 1.800000
! likelihood 0.970000
! intensity 21500.000000
! from proton shift 3.143000
! to proton shift 1.706000
! from heavyatom shift 30.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 679
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn TRP and name hb*) (resid 8 and resn val and name hb) 3.900000 2.100000 2.100000
!
! peak name 3dC68
! bounds 2.700000 1.800000
! likelihood 0.910000
! intensity 265000.000000
! from proton shift 1.416000
! to proton shift 1.908000
! from heavyatom shift 18.301000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 68
! note degeneracy 136, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hb#) (resid 39 and resn ile and name hg2#) 2.750000 0.950000 0.950000
!
! peak name 3dC682
! bounds 6.000000 1.800000
! likelihood 0.900000
! intensity 12800.000000
! from proton shift 3.272000
! to proton shift 4.136000
! from heavyatom shift 31.044000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 682
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn HIS and name hb*) (resid 6 and resn pro and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC683
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40400.000000
! from proton shift 3.089000
! to proton shift 4.095000
! from heavyatom shift 41.695000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 683
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC688
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 53600.000000
! from proton shift 3.091000
! to proton shift 1.418000
! from heavyatom shift 41.756000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 688
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC69
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 588000.000000
! from proton shift 1.417000
! to proton shift 4.108000
! from heavyatom shift 18.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 69
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hb#) (resid 80 and resn ala and name ha) 2.500000 0.700000 0.700000
or (resid 11 and resn ala and name hb#) (resid 11 and resn ala and name ha)
or (resid 11 and resn ala and name hb#) (resid 11 and resn ala and name ha)
!
! peak name 3dC690
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38900.000000
! from proton shift 3.741000
! to proton shift 1.597000
! from heavyatom shift 51.278000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 690
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC691
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52600.000000
! from proton shift 3.745000
! to proton shift 1.823000
! from heavyatom shift 51.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 691
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC693
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 91300.000000
! from proton shift 4.028000
! to proton shift 2.468000
! from heavyatom shift 59.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 693
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name ha) (resid 47 and resn MET and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC694
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 4.023000
! to proton shift 2.391000
! from heavyatom shift 59.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 694
! note degeneracy 108, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name ha) (resid 22 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC695
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 148000.000000
! from proton shift 4.014000
! to proton shift 1.644000
! from heavyatom shift 59.825000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 695
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name ha) (resid 22 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC698
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62300.000000
! from proton shift 4.919000
! to proton shift 3.125000
! from heavyatom shift 55.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 698
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name ha) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC699
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82000.000000
! from proton shift 4.925000
! to proton shift 3.331000
! from heavyatom shift 55.940000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 699
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name ha) (resid 4 and resn TRP and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC7
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 15700.000000
! from proton shift 0.737000
! to proton shift 2.758000
! from heavyatom shift 12.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 7
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 10 and resn LYS and name he*) 4.150000 2.350000 2.350000
or (resid 20 and resn ile and name hd*) (resid 25 and resn LYS and name he*)
or (resid 20 and resn ile and name hd*) (resid 10 and resn LYS and name he*)
or (resid 20 and resn ile and name hd*) (resid 25 and resn LYS and name he*)
!
! peak name 3dC70
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 125000.000000
! from proton shift 1.430000
! to proton shift 3.911000
! from heavyatom shift 18.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 70
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hb#) (resid 77 and resn leu and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC701
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18000.000000
! from proton shift 4.926000
! to proton shift 0.979000
! from heavyatom shift 56.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 701
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name ha) (resid 3 and resn VAL and name hg*) 4.150000 2.350000 2.350000
or (resid 4 and resn trp and name ha) (resid 5 and resn thr and name hg1)
!
! peak name 3dC702
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 33100.000000
! from proton shift 4.925000
! to proton shift 0.845000
! from heavyatom shift 55.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 702
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name ha) (resid 8 and resn VAL and name hg*) 4.150000 2.350000 2.350000
!
! peak name 3dC704
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 3.777000
! to proton shift 1.237000
! from heavyatom shift 58.397000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 704
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name ha) (resid 9 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC705
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 220000.000000
! from proton shift 3.836000
! to proton shift 1.493000
! from heavyatom shift 58.334000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 705
! note degeneracy 100, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name ha) (resid 67 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC709
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 4.960000
! to proton shift 2.008000
! from heavyatom shift 52.887000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 709
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 19 and resn PRO and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC710
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 99200.000000
! from proton shift 4.960000
! to proton shift 1.911000
! from heavyatom shift 52.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 710
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC711
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 154000.000000
! from proton shift 4.956000
! to proton shift 1.602000
! from heavyatom shift 52.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 711
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hg*) 2.550000 0.750000 0.750000
or (resid 18 and resn lys and name ha) (resid 18 and resn LYS and name hb*)
!
! peak name 3dC714
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47800.000000
! from proton shift 4.095000
! to proton shift 1.576000
! from heavyatom shift 59.103000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 714
! note degeneracy 230, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name ha) (resid 10 and resn LYS and name hd*) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name ha) (resid 10 and resn LYS and name hg*)
!
! peak name 3dC715
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 104000.000000
! from proton shift 4.143000
! to proton shift 2.414000
! from heavyatom shift 59.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 715
! note degeneracy 105, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name ha) (resid 52 and resn GLU and name hg*) 2.550000 0.750000 0.750000
!
! peak name 3dC717
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 246000.000000
! from proton shift 1.876000
! to proton shift 4.087000
! from heavyatom shift 32.158000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 717
! note degeneracy 180, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hb*) (resid 79 and resn lys and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC718
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66500.000000
! from proton shift 2.341000
! to proton shift 3.868000
! from heavyatom shift 28.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 718
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC72
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44600.000000
! from proton shift 1.285000
! to proton shift 1.646000
! from heavyatom shift 18.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 72
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hb#) (resid 12 and resn ARG and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC721
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55900.000000
! from proton shift 1.742000
! to proton shift 3.401000
! from heavyatom shift 28.127000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 721
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hg*) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC723
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 22400.000000
! from proton shift 1.649000
! to proton shift 4.155000
! from heavyatom shift 26.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 723
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000
!
! peak name 3dC724
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35000.000000
! from proton shift 1.642000
! to proton shift 2.760000
! from heavyatom shift 26.233000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 724
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC726
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 393000.000000
! from proton shift 1.373000
! to proton shift 1.589000
! from heavyatom shift 26.178000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 726
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC727
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45800.000000
! from proton shift 1.379000
! to proton shift 0.875000
! from heavyatom shift 26.122000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 727
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC728
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22200.000000
! from proton shift 1.654000
! to proton shift 0.341000
! from heavyatom shift 26.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 728
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hg*) (resid 28 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC733
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21700.000000
! from proton shift 1.593000
! to proton shift 3.148000
! from heavyatom shift 24.972000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 733
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hg*) (resid 18 and resn LYS and name he*) 3.900000 2.100000 2.100000
or (resid 18 and resn LYS and name hg*) (resid 18 and resn LYS and name he*)
!
! peak name 3dC734
! bounds 6.000000 1.800000
! likelihood 0.930000
! intensity 22700.000000
! from proton shift 1.418000
! to proton shift 1.085000
! from heavyatom shift 25.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 734
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hg*) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC736
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 76000.000000
! from proton shift 1.729000
! to proton shift 3.147000
! from heavyatom shift 29.168000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 736
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hd*) (resid 18 and resn LYS and name he*) 2.550000 0.750000 0.750000
or (resid 18 and resn LYS and name hd*) (resid 18 and resn LYS and name he*)
!
! peak name 3dC737
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 27600.000000
! from proton shift 1.731000
! to proton shift 2.993000
! from heavyatom shift 29.035000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 737
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hb*) (resid 35 and resn HIS and name hb*) 3.900000 2.100000 2.100000
or (resid 33 and resn ARG and name hb*) (resid 36 and resn ASN and name hb*)
!
! peak name 3dC738
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 2.390000
! to proton shift 4.003000
! from heavyatom shift 36.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 738
! note degeneracy 132, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn GLU and name hg*) (resid 22 and resn glu and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC74
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61900.000000
! from proton shift 0.960000
! to proton shift 2.142000
! from heavyatom shift 27.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 74
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hg) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC742
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 955000.000000
! from proton shift 2.148000
! to proton shift 2.331000
! from heavyatom shift 29.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 742
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 59 and resn GLU and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC743
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 27000.000000
! from proton shift 2.145000
! to proton shift 1.159000
! from heavyatom shift 29.882000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 743
! note degeneracy 77, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC744
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16300.000000
! from proton shift 2.349000
! to proton shift 1.164000
! from heavyatom shift 29.821000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 744
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*) 4.150000 2.350000 2.350000
or (resid 58 and resn GLU and name hb*) (resid 67 and resn LEU and name hd*)
or (resid 58 and resn GLU and name hb*) (resid 67 and resn leu and name hg)
!
! peak name 3dC745
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 54500.000000
! from proton shift 2.345000
! to proton shift 3.910000
! from heavyatom shift 29.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 745
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hb*) (resid 58 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 78 and resn GLU and name hb*) (resid 77 and resn leu and name ha)
or (resid 58 and resn GLU and name hb*) (resid 58 and resn glu and name ha)
!
! peak name 3dC749
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 90500.000000
! from proton shift 1.966000
! to proton shift 3.283000
! from heavyatom shift 27.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 749
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hg*) (resid 26 and resn ARG and name hd*) 2.550000 0.750000 0.750000
or (resid 33 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*)
!
! peak name 3dC750
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 51300.000000
! from proton shift 1.693000
! to proton shift 2.716000
! from heavyatom shift 27.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 750
! note degeneracy 55, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn LYS and name hd*) (resid 30 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC752
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 1.551000
! to proton shift 3.668000
! from heavyatom shift 26.019000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 752
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hg*) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC753
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 58300.000000
! from proton shift 0.890000
! to proton shift 2.277000
! from heavyatom shift 23.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 753
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hd*) (resid 44 and resn GLN and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC754
! bounds 3.300000 1.800000
! likelihood 0.940000
! intensity 90500.000000
! from proton shift 0.880000
! to proton shift 4.014000
! from heavyatom shift 23.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 754
! note degeneracy 132, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn LEU and name hd*) (resid 82 and resn GLY and name ha*) 2.800000 1.000000 1.000000
!
! peak name 3dC759
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 2.914000
! to proton shift 1.651000
! from heavyatom shift 41.892000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 759
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name he*) (resid 25 and resn LYS and name hd*) 2.250000 0.450000 0.450000
!
! peak name 3dC76
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 1.758000
! to proton shift 0.513000
! from heavyatom shift 29.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 76
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name hg12) 2.250000 0.450000 0.450000
!
! peak name 3dC760
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13900.000000
! from proton shift 2.944000
! to proton shift 1.454000
! from heavyatom shift 41.990000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 760
! note degeneracy 92, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name he*) (resid 79 and resn LYS and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC763
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 108000.000000
! from proton shift 1.716000
! to proton shift 2.082000
! from heavyatom shift 27.930000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 763
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hg*) (resid 33 and resn ARG and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC764
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 61600.000000
! from proton shift 1.919000
! to proton shift 3.945000
! from heavyatom shift 28.898000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 764
! note degeneracy 114, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn GLN and name hb*) (resid 60 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC765
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17300.000000
! from proton shift 1.919000
! to proton shift 3.527000
! from heavyatom shift 28.867000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 765
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn GLN and name hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC768
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 41800.000000
! from proton shift 1.459000
! to proton shift 2.927000
! from heavyatom shift 25.451000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 768
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC769
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 39800.000000
! from proton shift 1.580000
! to proton shift 2.914000
! from heavyatom shift 25.494000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 769
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn LYS and name hg*) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC77
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 1.757000
! to proton shift 0.697000
! from heavyatom shift 29.381000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 77
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC770
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 97100.000000
! from proton shift 0.821000
! to proton shift 2.119000
! from heavyatom shift 23.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 770
! note degeneracy 125, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hd*) (resid 47 and resn MET and name hg*) 2.800000 1.000000 1.000000
or (resid 77 and resn LEU and name hd*) (resid 73 and resn LEU and name hb*)
!
! peak name 3dC771
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 62000.000000
! from proton shift 0.819000
! to proton shift 1.202000
! from heavyatom shift 23.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 771
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hd*) (resid 46 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 77 and resn LEU and name hd*) (resid 77 and resn LEU and name hb*)
!
! peak name 3dC772
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 70700.000000
! from proton shift 2.117000
! to proton shift 2.463000
! from heavyatom shift 32.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 772
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn GLN and name hg*) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC775
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40500.000000
! from proton shift 3.932000
! to proton shift 3.172000
! from heavyatom shift 60.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 775
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name ha) (resid 71 and resn ARG and name hd*) 3.400000 1.600000 1.600000
or (resid 71 and resn arg and name ha) (resid 74 and resn ARG and name hd*)
!
! peak name 3dC776
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 241000.000000
! from proton shift 3.934000
! to proton shift 1.964000
! from heavyatom shift 60.296000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 776
! note degeneracy 128, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name ha) (resid 71 and resn ARG and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC778
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 15400.000000
! from proton shift 1.982000
! to proton shift 3.521000
! from heavyatom shift 32.109000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 778
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 62 and resn PRO and name hb*) (resid 62 and resn PRO and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC779
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 4.478000
! to proton shift 3.206000
! from heavyatom shift 58.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 779
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 70 and resn PHE and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC78
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 24000.000000
! from proton shift 1.751000
! to proton shift 1.083000
! from heavyatom shift 29.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 78
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 73 and resn LEU and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC780
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 40000.000000
! from proton shift 4.469000
! to proton shift 1.415000
! from heavyatom shift 58.382000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 780
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 70 and resn phe and name ha) (resid 73 and resn LEU and name hd*)
!
! peak name 3dC781
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 55200.000000
! from proton shift 4.474000
! to proton shift 1.522000
! from heavyatom shift 58.249000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 781
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC782
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 29000.000000
! from proton shift 4.469000
! to proton shift 0.700000
! from heavyatom shift 58.184000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 782
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name ha) (resid 54 and resn ile and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC783
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 237000.000000
! from proton shift 4.504000
! to proton shift 3.838000
! from heavyatom shift 58.403000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 783
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name ha) (resid 37 and resn SER and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC789
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21700.000000
! from proton shift 0.884000
! to proton shift 1.199000
! from heavyatom shift 30.124000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 789
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hb*) (resid 66 and resn ARG and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC79
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 44000.000000
! from proton shift 1.763000
! to proton shift 3.480000
! from heavyatom shift 29.374000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 79
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC791
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26000.000000
! from proton shift 1.223000
! to proton shift 2.478000
! from heavyatom shift 28.573000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 791
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn ARG and name hg*) (resid 66 and resn ARG and name hd*) 3.900000 2.100000 2.100000
!
! peak name 3dC793
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 63600.000000
! from proton shift 1.649000
! to proton shift 3.181000
! from heavyatom shift 28.747000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 793
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC794
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57900.000000
! from proton shift 1.654000
! to proton shift 3.275000
! from heavyatom shift 28.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 794
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hg*) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000
or (resid 43 and resn ARG and name hg*) (resid 33 and resn ARG and name hd*)
!
! peak name 3dC795
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 33400.000000
! from proton shift 1.642000
! to proton shift 3.738000
! from heavyatom shift 28.752000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 795
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hg*) (resid 37 and resn SER and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC796
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52900.000000
! from proton shift 1.657000
! to proton shift 3.813000
! from heavyatom shift 28.781000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 796
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn ARG and name hg*) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC797
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 217000.000000
! from proton shift 2.281000
! to proton shift 4.132000
! from heavyatom shift 36.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 797
! note degeneracy 145, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 2.250000 0.450000 0.450000
!
! peak name 3dC798
! bounds 3.300000 1.800000
! likelihood 0.910000
! intensity 127000.000000
! from proton shift 4.311000
! to proton shift 2.338000
! from heavyatom shift 57.919000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 798
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name ha) (resid 58 and resn GLU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC799
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 4.317000
! to proton shift 2.650000
! from heavyatom shift 57.983000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 799
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name ha) (resid 55 and resn ASP and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC8
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.742000
! to proton shift 1.850000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 8
! note degeneracy 62, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb) 2.800000 1.000000 1.000000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb)
!
! peak name 3dC80
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29100.000000
! from proton shift 0.521000
! to proton shift 3.482000
! from heavyatom shift 29.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 80
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 27 and resn ile and name ha) 3.900000 2.100000 2.100000
or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name ha)
!
! peak name 3dC803
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 56000.000000
! from proton shift 2.440000
! to proton shift 4.141000
! from heavyatom shift 36.331000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 803
! note degeneracy 145, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn GLU and name hg*) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 52 and resn GLU and name hg*) (resid 52 and resn glu and name ha)
or (resid 49 and resn GLU and name hg*) (resid 46 and resn leu and name ha)
or (resid 49 and resn GLU and name hg*) (resid 49 and resn glu and name ha)
!
! peak name 3dC805
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 33600.000000
! from proton shift 2.444000
! to proton shift 0.926000
! from heavyatom shift 36.406000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 805
! note degeneracy 115, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn GLU and name hg*) (resid 56 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC806
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47700.000000
! from proton shift 2.677000
! to proton shift 3.677000
! from heavyatom shift 32.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 806
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC807
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 43200.000000
! from proton shift 2.692000
! to proton shift 1.905000
! from heavyatom shift 32.998000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 807
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*)
or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*)
!
! peak name 3dC808
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 2.238000
! to proton shift 1.906000
! from heavyatom shift 32.987000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 808
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*) 2.250000 0.450000 0.450000
or (resid 51 and resn MET and name hb*) (resid 51 and resn MET and name hg*)
!
! peak name 3dC81
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 21200.000000
! from proton shift 0.534000
! to proton shift 1.882000
! from heavyatom shift 29.318000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 81
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 74 and resn ARG and name hg*) 3.900000 2.100000 2.100000
or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hb)
!
! peak name 3dC811
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 4.381000
! to proton shift 2.641000
! from heavyatom shift 57.438000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 811
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name ha) (resid 41 and resn ASP and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC812
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 47600.000000
! from proton shift 4.376000
! to proton shift 2.064000
! from heavyatom shift 57.531000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 812
! note degeneracy 108, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name ha) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC816
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 1.513000
! to proton shift 1.268000
! from heavyatom shift 18.295000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 816
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hb#) (resid 25 and resn LYS and name hg*) 2.800000 1.000000 1.000000
!
! peak name 3dC817
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 357000.000000
! from proton shift 4.160000
! to proton shift 1.876000
! from heavyatom shift 57.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 817
! note degeneracy 240, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name ha) (resid 30 and resn LYS and name hb*) 2.250000 0.450000 0.450000
or (resid 53 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
or (resid 56 and resn leu and name ha) (resid 56 and resn LEU and name hb*)
!
! peak name 3dC819
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 4.207000
! to proton shift 1.155000
! from heavyatom shift 57.464000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 819
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name ha) (resid 31 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC82
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.520000
! to proton shift 0.196000
! from heavyatom shift 29.480000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 82
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000
or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hd*)
!
! peak name 3dC821
! bounds 6.000000 1.800000
! likelihood 0.960000
! intensity 20000.000000
! from proton shift 0.956000
! to proton shift 2.325000
! from heavyatom shift 26.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 821
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hb*) 3.900000 2.100000 2.100000
or (resid 31 and resn leu and name hg) (resid 6 and resn PRO and name hg*)
!
! peak name 3dC822
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 82200.000000
! from proton shift 0.962000
! to proton shift 1.637000
! from heavyatom shift 26.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 822
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 31 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC823
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 57100.000000
! from proton shift 0.966000
! to proton shift 1.566000
! from heavyatom shift 26.818000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 823
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hg) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC826
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 63400.000000
! from proton shift 0.801000
! to proton shift 2.228000
! from heavyatom shift 27.009000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 826
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC828
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 1.560000
! to proton shift 3.959000
! from heavyatom shift 27.203000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 828
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hg) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC829
! bounds 6.000000 1.800000
! likelihood 0.920000
! intensity 21900.000000
! from proton shift 1.557000
! to proton shift 2.680000
! from heavyatom shift 27.036000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 829
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hg) (resid 44 and resn GLN and name hg*) 3.900000 2.100000 2.100000
!
! peak name 3dC83
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17200.000000
! from proton shift 1.770000
! to proton shift 0.202000
! from heavyatom shift 29.316000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 83
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 27 and resn ile and name hd*) 4.150000 2.350000 2.350000
or (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name hd*)
!
! peak name 3dC830
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 10200.000000
! from proton shift 1.571000
! to proton shift 2.277000
! from heavyatom shift 27.165000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 830
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hg) (resid 42 and resn GLU and name hb*) 3.900000 2.100000 2.100000
or (resid 40 and resn leu and name hg) (resid 44 and resn GLN and name hb*)
!
! peak name 3dC831
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 249000.000000
! from proton shift 1.569000
! to proton shift 1.749000
! from heavyatom shift 27.078000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 831
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hg) (resid 40 and resn LEU and name hb*) 2.250000 0.450000 0.450000
!
! peak name 3dC834
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37100.000000
! from proton shift 1.835000
! to proton shift 3.728000
! from heavyatom shift 32.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 834
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hb*) (resid 19 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dC835
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 39400.000000
! from proton shift 0.995000
! to proton shift 1.786000
! from heavyatom shift 21.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 835
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn VAL and name hg*) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dC837
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 3.741000
! to proton shift 2.012000
! from heavyatom shift 51.253000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 837
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 19 and resn PRO and name hd*) (resid 19 and resn PRO and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC84
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 34100.000000
! from proton shift 0.504000
! to proton shift 0.951000
! from heavyatom shift 29.452000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 84
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hg2#)
!
! peak name 3dC841
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26000.000000
! from proton shift 0.901000
! to proton shift 1.880000
! from heavyatom shift 28.797000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 841
! note degeneracy 31, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hg) (resid 30 and resn LYS and name hb*) 3.900000 2.100000 2.100000
or (resid 50 and resn leu and name hg) (resid 30 and resn LYS and name hd*)
!
! peak name 3dC844
! bounds 6.000000 1.800000
! likelihood 0.920000
! intensity 31300.000000
! from proton shift 1.426000
! to proton shift 2.269000
! from heavyatom shift 18.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 844
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hb#) (resid 44 and resn GLN and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC845
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35200.000000
! from proton shift 1.428000
! to proton shift 2.212000
! from heavyatom shift 18.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 845
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hb#) (resid 71 and resn ARG and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC848
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 251000.000000
! from proton shift 0.885000
! to proton shift 1.912000
! from heavyatom shift 21.457000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 848
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn VAL and name hg*) (resid 15 and resn val and name hb) 2.500000 0.700000 0.700000
!
! peak name 3dC849
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 29700.000000
! from proton shift 0.924000
! to proton shift 0.197000
! from heavyatom shift 22.339000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 849
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hd*) (resid 27 and resn ile and name hd*) 4.400000 2.600000 2.600000
or (resid 46 and resn LEU and name hd*) (resid 54 and resn ile and name hd*)
!
! peak name 3dC85
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 0.522000
! to proton shift 0.696000
! from heavyatom shift 29.375000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 85
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC852
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16200.000000
! from proton shift 0.813000
! to proton shift 3.127000
! from heavyatom shift 23.376000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 852
! note degeneracy 65, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hd*) (resid 47 and resn MET and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC854
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 37200.000000
! from proton shift 1.218000
! to proton shift 1.897000
! from heavyatom shift 44.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 854
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC856
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 306000.000000
! from proton shift 1.545000
! to proton shift 0.851000
! from heavyatom shift 43.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 856
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hb*) (resid 83 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC857
! bounds 6.000000 1.800000
! likelihood 0.950000
! intensity 15600.000000
! from proton shift 1.569000
! to proton shift 0.777000
! from heavyatom shift 42.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 857
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 34 and resn ile and name hg11) 3.900000 2.100000 2.100000
!
! peak name 3dC858
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 17100.000000
! from proton shift 1.539000
! to proton shift 1.967000
! from heavyatom shift 43.124000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 858
! note degeneracy 64, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hb*) (resid 84 and resn GLU and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC859
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 67200.000000
! from proton shift 2.132000
! to proton shift 1.152000
! from heavyatom shift 42.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 859
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*)
or (resid 31 and resn LEU and name hb*) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC860
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96700.000000
! from proton shift 2.131000
! to proton shift 0.949000
! from heavyatom shift 42.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 860
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 31 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC861
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35700.000000
! from proton shift 2.123000
! to proton shift 0.889000
! from heavyatom shift 42.850000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 861
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 31 and resn LEU and name hb*) (resid 34 and resn ile and name hg2#)
!
! peak name 3dC863
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 2.138000
! to proton shift 1.632000
! from heavyatom shift 42.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 863
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 31 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC865
! bounds 6.000000 1.800000
! likelihood 0.910000
! intensity 24500.000000
! from proton shift 2.128000
! to proton shift 2.310000
! from heavyatom shift 42.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 865
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn LEU and name hb*) (resid 6 and resn PRO and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC870
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 2.512000
! to proton shift 0.853000
! from heavyatom shift 43.021000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 870
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hb*) (resid 83 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dC871
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 139000.000000
! from proton shift 3.276000
! to proton shift 2.079000
! from heavyatom shift 43.733000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 871
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn ARG and name hd*) (resid 26 and resn ARG and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC872
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 75400.000000
! from proton shift 3.198000
! to proton shift 2.070000
! from heavyatom shift 43.838000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 872
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC874
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 232000.000000
! from proton shift 3.256000
! to proton shift 1.963000
! from heavyatom shift 43.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 874
! note degeneracy 128, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn ARG and name hd*) (resid 33 and resn ARG and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC875
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 182000.000000
! from proton shift 1.884000
! to proton shift 0.931000
! from heavyatom shift 42.173000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 875
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn LEU and name hb*) (resid 56 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC876
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 1.694000
! to proton shift 0.926000
! from heavyatom shift 42.116000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 876
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn LEU and name hb*) (resid 56 and resn LEU and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC880
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 60200.000000
! from proton shift 2.093000
! to proton shift 0.927000
! from heavyatom shift 42.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 880
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 53 and resn LEU and name hb*) (resid 56 and resn LEU and name hd*)
!
! peak name 3dC882
! bounds 6.000000 1.800000
! likelihood 0.990000
! intensity 25500.000000
! from proton shift 2.093000
! to proton shift 0.655000
! from heavyatom shift 42.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 882
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn LEU and name hb*) (resid 27 and resn ile and name hg2#) 4.150000 2.350000 2.350000
!
! peak name 3dC892
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83600.000000
! from proton shift 1.458000
! to proton shift 1.032000
! from heavyatom shift 41.101000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 892
! note degeneracy 55, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn LEU and name hb*) (resid 9 and resn leu and name hg) 2.550000 0.750000 0.750000
!
! peak name 3dC893
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 0.907000
! to proton shift 1.054000
! from heavyatom shift 12.593000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 893
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hd*) (resid 39 and resn ile and name hg12) 2.500000 0.700000 0.700000
!
! peak name 3dC894
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 133000.000000
! from proton shift 0.741000
! to proton shift 1.701000
! from heavyatom shift 12.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 894
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11) 2.800000 1.000000 1.000000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg11)
!
! peak name 3dC895
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14700.000000
! from proton shift 0.736000
! to proton shift 4.090000
! from heavyatom shift 12.578000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 895
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha) 4.150000 2.350000 2.350000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name ha)
!
! peak name 3dC896
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 101000.000000
! from proton shift 0.742000
! to proton shift 1.850000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 896
! note degeneracy 62, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb) 2.800000 1.000000 1.000000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hb)
!
! peak name 3dC897
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 0.745000
! to proton shift 1.161000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 897
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 3.050000 1.250000 1.250000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#)
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#)
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12)
!
! peak name 3dC898
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 72300.000000
! from proton shift 0.741000
! to proton shift 0.341000
! from heavyatom shift 12.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 898
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 28 and resn LEU and name hd*) 3.900000 2.100000 2.100000
or (resid 20 and resn ile and name hd*) (resid 28 and resn LEU and name hd*)
!
! peak name 3dC9
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 83900.000000
! from proton shift 0.745000
! to proton shift 1.161000
! from heavyatom shift 12.705000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 9
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12) 3.050000 1.250000 1.250000
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#)
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg2#)
or (resid 20 and resn ile and name hd*) (resid 20 and resn ile and name hg12)
!
! peak name 3dC90
! bounds 6.000000 1.800000
! likelihood 0.980000
! intensity 17700.000000
! from proton shift 0.806000
! to proton shift 1.742000
! from heavyatom shift 26.767000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 90
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 54 and resn ile and name hg11) 3.900000 2.100000 2.100000
!
! peak name 3dC91
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 81400.000000
! from proton shift 0.807000
! to proton shift 1.204000
! from heavyatom shift 26.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 91
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 77 and resn LEU and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC911
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 164000.000000
! from proton shift 0.512000
! to proton shift 1.906000
! from heavyatom shift 16.518000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 911
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 34 and resn ile and name hg12) 2.800000 1.000000 1.000000
!
! peak name 3dC912
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 26800.000000
! from proton shift 0.506000
! to proton shift 1.154000
! from heavyatom shift 16.467000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 912
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 9 and resn LEU and name hd*) 4.400000 2.600000 2.600000
or (resid 34 and resn ile and name hd*) (resid 31 and resn LEU and name hd*)
or (resid 34 and resn ile and name hd*) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC913
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 79800.000000
! from proton shift 0.509000
! to proton shift 3.406000
! from heavyatom shift 16.469000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 913
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 34 and resn ile and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC914
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 12500.000000
! from proton shift 0.511000
! to proton shift 3.277000
! from heavyatom shift 16.475000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 914
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC915
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 18100.000000
! from proton shift 0.520000
! to proton shift 3.179000
! from heavyatom shift 16.392000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 915
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 33 and resn ARG and name hd*) 4.150000 2.350000 2.350000
!
! peak name 3dC916
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 14600.000000
! from proton shift 0.519000
! to proton shift 4.259000
! from heavyatom shift 16.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 916
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 35 and resn his and name ha) 4.150000 2.350000 2.350000
!
! peak name 3dC917
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 11800.000000
! from proton shift 0.515000
! to proton shift 3.840000
! from heavyatom shift 16.587000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 917
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hd*) (resid 37 and resn SER and name hb*) 4.150000 2.350000 2.350000
!
! peak name 3dC924
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 64100.000000
! from proton shift 1.420000
! to proton shift 1.759000
! from heavyatom shift 18.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 924
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hb#) (resid 47 and resn MET and name hg*) 3.650000 1.850000 1.850000
or (resid 11 and resn ala and name hb#) (resid 10 and resn LYS and name hb*)
or (resid 11 and resn ala and name hb#) (resid 10 and resn LYS and name hb*)
!
! peak name 3dC925
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 135000.000000
! from proton shift 1.411000
! to proton shift 3.487000
! from heavyatom shift 18.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 925
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hb#) (resid 8 and resn val and name ha) 2.800000 1.000000 1.000000
or (resid 11 and resn ala and name hb#) (resid 8 and resn val and name ha)
!
! peak name 3dC926
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 201000.000000
! from proton shift 1.274000
! to proton shift 4.350000
! from heavyatom shift 18.234000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 926
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hb#) (resid 13 and resn ala and name ha) 2.500000 0.700000 0.700000
!
! peak name 3dC930
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 47600.000000
! from proton shift 1.764000
! to proton shift 0.953000
! from heavyatom shift 29.418000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 930
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg11) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dC931
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 103000.000000
! from proton shift 0.516000
! to proton shift 1.751000
! from heavyatom shift 29.386000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 931
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hg12) (resid 54 and resn ile and name hg11) 2.550000 0.750000 0.750000
!
! peak name 3dC933
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 28600.000000
! from proton shift 0.798000
! to proton shift 2.663000
! from heavyatom shift 27.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 933
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hg) (resid 51 and resn MET and name hb*) 3.900000 2.100000 2.100000
!
! peak name 3dC935
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 1.040000
! to proton shift 1.238000
! from heavyatom shift 26.757000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 935
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name hg) (resid 9 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC936
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 52300.000000
! from proton shift 1.047000
! to proton shift 1.445000
! from heavyatom shift 26.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 936
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hg12) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dC938
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 71900.000000
! from proton shift 1.040000
! to proton shift 2.008000
! from heavyatom shift 26.813000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 938
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name hg) (resid 9 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC940
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 353000.000000
! from proton shift 1.860000
! to proton shift 0.741000
! from heavyatom shift 37.608000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 940
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hb) (resid 20 and resn ile and name hd*) 2.500000 0.700000 0.700000
or (resid 20 and resn ile and name hb) (resid 20 and resn ile and name hd*)
!
! peak name 3dC941
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 1.832000
! to proton shift 0.903000
! from heavyatom shift 37.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 941
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hb) (resid 16 and resn ile and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC942
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 151000.000000
! from proton shift 1.821000
! to proton shift 1.575000
! from heavyatom shift 37.484000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 942
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hb) (resid 16 and resn ile and name hg12) 2.550000 0.750000 0.750000
!
! peak name 3dC943
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 96400.000000
! from proton shift 1.823000
! to proton shift 3.907000
! from heavyatom shift 37.482000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 943
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hb) (resid 16 and resn ile and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC945
! bounds 3.300000 1.800000
! likelihood 0.990000
! intensity 77400.000000
! from proton shift 2.765000
! to proton shift 0.879000
! from heavyatom shift 41.772000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 945
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 28 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC946
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 278000.000000
! from proton shift 2.764000
! to proton shift 1.591000
! from heavyatom shift 41.786000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 946
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hd*) 2.250000 0.450000 0.450000
or (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hg*)
!
! peak name 3dC947
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 109000.000000
! from proton shift 2.768000
! to proton shift 1.741000
! from heavyatom shift 41.778000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 947
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC949
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 3.074000
! to proton shift 1.986000
! from heavyatom shift 41.699000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 949
! note degeneracy 78, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name he*) (resid 10 and resn LYS and name hb*) 2.550000 0.750000 0.750000
!
! peak name 3dC950
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 68600.000000
! from proton shift 1.409000
! to proton shift 3.820000
! from heavyatom shift 41.835000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 950
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC951
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49500.000000
! from proton shift 1.775000
! to proton shift 3.817000
! from heavyatom shift 41.807000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 951
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn LEU and name hb*) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC953
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 22600.000000
! from proton shift 1.867000
! to proton shift 4.279000
! from heavyatom shift 33.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 953
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hb) (resid 3 and resn val and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC955
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 56200.000000
! from proton shift 1.058000
! to proton shift 1.984000
! from heavyatom shift 23.816000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 955
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hd*) (resid 65 and resn GLU and name hb*) 3.650000 1.850000 1.850000
!
! peak name 3dC956
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 1.059000
! to proton shift 1.855000
! from heavyatom shift 23.876000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 956
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hd*) (resid 67 and resn LEU and name hb*) 2.500000 0.700000 0.700000
!
! peak name 3dC957
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 147000.000000
! from proton shift 1.067000
! to proton shift 1.507000
! from heavyatom shift 23.939000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 957
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hd*) (resid 67 and resn LEU and name hb*) 2.800000 1.000000 1.000000
!
! peak name 3dC96
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 286000.000000
! from proton shift 1.832000
! to proton shift 0.903000
! from heavyatom shift 37.468000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 96
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hb) (resid 16 and resn ile and name hd*) 2.500000 0.700000 0.700000
!
! peak name 3dC960
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 146000.000000
! from proton shift 1.060000
! to proton shift 3.846000
! from heavyatom shift 23.862000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 960
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn LEU and name hd*) (resid 67 and resn leu and name ha) 2.800000 1.000000 1.000000
!
! peak name 3dC962
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 238000.000000
! from proton shift 0.851000
! to proton shift 1.555000
! from heavyatom shift 22.754000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 962
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn LEU and name hd*) (resid 83 and resn LEU and name hb*) 2.500000 0.700000 0.700000
or (resid 83 and resn LEU and name hd*) (resid 83 and resn leu and name hg)
!
! peak name 3dC963
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 0.822000
! to proton shift 1.985000
! from heavyatom shift 23.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 963
! note degeneracy 130, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn LEU and name hd*) (resid 50 and resn LEU and name hb*) 2.800000 1.000000 1.000000
!
! peak name 3dC965
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 13300.000000
! from proton shift 1.208000
! to proton shift 3.816000
! from heavyatom shift 43.932000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 965
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn LEU and name hb*) (resid 43 and resn arg and name ha) 3.900000 2.100000 2.100000
!
! peak name 3dC969
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 38400.000000
! from proton shift 0.900000
! to proton shift 2.081000
! from heavyatom shift 32.559000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 969
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hb*) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC97
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 66800.000000
! from proton shift 1.828000
! to proton shift 1.258000
! from heavyatom shift 37.517000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 97
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hb) (resid 16 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dC971
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 45200.000000
! from proton shift 0.902000
! to proton shift 3.406000
! from heavyatom shift 32.430000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 971
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hb*) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC977
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50700.000000
! from proton shift 1.812000
! to proton shift 0.529000
! from heavyatom shift 31.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 977
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hg12) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dC978
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 115000.000000
! from proton shift 2.329000
! to proton shift 4.117000
! from heavyatom shift 31.713000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 978
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 6 and resn PRO and name hb*) (resid 6 and resn pro and name ha) 2.550000 0.750000 0.750000
!
! peak name 3dC979
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 380000.000000
! from proton shift 1.917000
! to proton shift 1.620000
! from heavyatom shift 33.935000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 979
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hb*) (resid 18 and resn LYS and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC98
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63500.000000
! from proton shift 1.869000
! to proton shift 1.705000
! from heavyatom shift 37.698000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 98
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hb) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dC980
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 222000.000000
! from proton shift 1.916000
! to proton shift 0.899000
! from heavyatom shift 34.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 980
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hb) (resid 15 and resn VAL and name hg*) 2.500000 0.700000 0.700000
!
! peak name 3dC981
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 65400.000000
! from proton shift 3.122000
! to proton shift 3.937000
! from heavyatom shift 34.097000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 981
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC982
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 3.133000
! to proton shift 2.119000
! from heavyatom shift 34.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 982
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 2.250000 0.450000 0.450000
!
! peak name 3dC984
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 49200.000000
! from proton shift 3.130000
! to proton shift 1.768000
! from heavyatom shift 34.052000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 984
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hb*) (resid 47 and resn MET and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dC985
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 85600.000000
! from proton shift 2.133000
! to proton shift 0.817000
! from heavyatom shift 34.020000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 985
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn MET and name hg*) (resid 77 and resn LEU and name hd*) 2.800000 1.000000 1.000000
!
! peak name 3dC987
! bounds 6.000000 1.800000
! likelihood 1.000000
! intensity 16000.000000
! from proton shift 1.929000
! to proton shift 3.726000
! from heavyatom shift 34.042000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 987
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn LYS and name hb*) (resid 17 and resn GLY and name ha*) 3.900000 2.100000 2.100000
or (resid 18 and resn LYS and name hb*) (resid 19 and resn PRO and name hd*)
!
! peak name 3dC989
! bounds 3.300000 1.800000
! likelihood 1.000000
! intensity 100000.000000
! from proton shift 2.669000
! to proton shift 4.105000
! from heavyatom shift 36.299000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 989
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn GLU and name hg*) (resid 59 and resn glu and name ha) 2.550000 0.750000 0.750000
or (resid 42 and resn GLU and name hg*) (resid 42 and resn glu and name ha)
!
! peak name 3dC99
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 50400.000000
! from proton shift 1.859000
! to proton shift 4.089000
! from heavyatom shift 37.710000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 99
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hb) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dC994
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 52300.000000
! from proton shift 1.936000
! to proton shift 1.556000
! from heavyatom shift 32.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 994
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 25 and resn LYS and name hb*) (resid 25 and resn LYS and name hg*)
or (resid 51 and resn MET and name hg*) (resid 50 and resn LEU and name hd*)
!
! peak name 3dC996
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 63500.000000
! from proton shift 1.952000
! to proton shift 3.410000
! from heavyatom shift 32.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 996
! note degeneracy 45, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn LYS and name hb*) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dC997
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 58800.000000
! from proton shift 1.750000
! to proton shift 2.759000
! from heavyatom shift 32.566000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 997
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn LYS and name hb*) (resid 10 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dC998
! bounds 2.700000 1.800000
! likelihood 1.000000
! intensity 196000.000000
! from proton shift 2.133000
! to proton shift 0.525000
! from heavyatom shift 38.409000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 998
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hb) (resid 27 and resn ile and name hg11) 2.250000 0.450000 0.450000
!
! peak name 3dC999
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 35400.000000
! from proton shift 2.148000
! to proton shift 1.788000
! from heavyatom shift 38.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_13C_PEAKS.xeasy, peak 999
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hb) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! Converted from final Marvin NOEs
! Low-likelihood assignments were removed
!
!
! peak name 3dN10
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 160000.000000
! from proton shift 8.812000
! to proton shift 7.424000
! from heavyatom shift 127.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 10
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 5 and resn thr and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN102
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1320000.000000
! from proton shift 7.812000
! to proton shift 8.099000
! from heavyatom shift 108.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 102
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000
or (resid 82 and resn gly and name hn) (resid 83 and resn leu and name hn)
!
! peak name 3dN103
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 7.830000
! to proton shift 8.073000
! from heavyatom shift 112.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 103
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name hn) (resid 61 and resn gln and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN104
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 449000.000000
! from proton shift 8.226000
! to proton shift 7.816000
! from heavyatom shift 112.859000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 104
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 64 and resn ser and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN105
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 697000.000000
! from proton shift 7.894000
! to proton shift 8.533000
! from heavyatom shift 114.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 105
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN106
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 433000.000000
! from proton shift 7.894000
! to proton shift 8.063000
! from heavyatom shift 114.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 106
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN107
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 601000.000000
! from proton shift 7.895000
! to proton shift 7.712000
! from heavyatom shift 114.863000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 107
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 76 and resn gln and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN108
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 7.395000
! to proton shift 7.734000
! from heavyatom shift 115.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 108
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 36 and resn asn and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN109
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 7.353000
! to proton shift 8.322000
! from heavyatom shift 115.805000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 109
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hn) (resid 68 and resn asn and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN110
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 574000.000000
! from proton shift 7.342000
! to proton shift 8.005000
! from heavyatom shift 115.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 110
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 34 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN111
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 556000.000000
! from proton shift 7.341000
! to proton shift 7.731000
! from heavyatom shift 115.584000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 111
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 36 and resn asn and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN112
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 715000.000000
! from proton shift 7.766000
! to proton shift 8.658000
! from heavyatom shift 115.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 112
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn glu and name hn) (resid 58 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN114
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 876000.000000
! from proton shift 8.780000
! to proton shift 6.944000
! from heavyatom shift 116.345000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 114
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN115
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 8.385000
! to proton shift 8.692000
! from heavyatom shift 116.558000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 115
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 22 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN116
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 794000.000000
! from proton shift 8.016000
! to proton shift 8.179000
! from heavyatom shift 116.640000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 116
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 69 and resn ala and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN117
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 483000.000000
! from proton shift 8.075000
! to proton shift 7.349000
! from heavyatom shift 116.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 117
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 67 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN118
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 7.821000
! to proton shift 8.211000
! from heavyatom shift 116.436000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 118
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 63 and resn ser and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN119
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1130000.000000
! from proton shift 7.946000
! to proton shift 8.096000
! from heavyatom shift 116.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 119
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 80 and resn ala and name hn) 3.400000 1.600000 1.600000
or (resid 81 and resn leu and name hn) (resid 83 and resn leu and name hn)
!
! peak name 3dN12
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1870000.000000
! from proton shift 7.424000
! to proton shift 4.897000
! from heavyatom shift 108.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 12
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 4 and resn trp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN121
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 105000.000000
! from proton shift 7.459000
! to proton shift 8.630000
! from heavyatom shift 116.957000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 121
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN123
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 639000.000000
! from proton shift 8.061000
! to proton shift 8.431000
! from heavyatom shift 118.199000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 123
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN124
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 256000.000000
! from proton shift 8.333000
! to proton shift 7.357000
! from heavyatom shift 118.370000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 124
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name hn) (resid 67 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN125
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1980000.000000
! from proton shift 8.430000
! to proton shift 8.046000
! from heavyatom shift 118.662000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 125
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 78 and resn glu and name hn) (resid 79 and resn lys and name hn)
or (resid 47 and resn met and name hn) (resid 48 and resn his and name hn)
!
! peak name 3dN126
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 640000.000000
! from proton shift 8.306000
! to proton shift 7.683000
! from heavyatom shift 118.952000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 126
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 33 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN127
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 200000.000000
! from proton shift 8.301000
! to proton shift 8.025000
! from heavyatom shift 119.017000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 127
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 30 and resn lys and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN128
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.541000
! to proton shift 7.882000
! from heavyatom shift 119.335000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 128
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 74 and resn arg and name hn) (resid 75 and resn thr and name hn)
!
! peak name 3dN129
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 663000.000000
! from proton shift 8.183000
! to proton shift 8.623000
! from heavyatom shift 119.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 129
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN13
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 351000.000000
! from proton shift 8.811000
! to proton shift 4.901000
! from heavyatom shift 127.746000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 13
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 4 and resn trp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN130
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 258000.000000
! from proton shift 8.184000
! to proton shift 8.429000
! from heavyatom shift 119.346000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 130
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN131
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.416000
! to proton shift 8.023000
! from heavyatom shift 119.501000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 131
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 30 and resn lys and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN132
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 637000.000000
! from proton shift 8.328000
! to proton shift 8.073000
! from heavyatom shift 120.185000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 132
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 29 and resn ala and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN133
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 524000.000000
! from proton shift 8.327000
! to proton shift 7.727000
! from heavyatom shift 120.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 133
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 27 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN135
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 467000.000000
! from proton shift 8.517000
! to proton shift 7.969000
! from heavyatom shift 120.179000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 135
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 26 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN136
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 423000.000000
! from proton shift 8.517000
! to proton shift 8.343000
! from heavyatom shift 120.183000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 136
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 24 and resn tyr and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN137
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 122000.000000
! from proton shift 8.638000
! to proton shift 7.442000
! from heavyatom shift 120.237000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 137
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN139
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 527000.000000
! from proton shift 8.069000
! to proton shift 7.726000
! from heavyatom shift 120.702000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 139
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 76 and resn gln and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN14
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 458000.000000
! from proton shift 7.993000
! to proton shift 4.250000
! from heavyatom shift 120.790000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 14
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hn) (resid 3 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN140
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 7.843000
! to proton shift 8.968000
! from heavyatom shift 121.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 140
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 38 and resn asn and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN144
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 210000.000000
! from proton shift 8.541000
! to proton shift 8.045000
! from heavyatom shift 127.730000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 144
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 15 and resn val and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN145
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 6.990000
! to proton shift 4.182000
! from heavyatom shift 113.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 145
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000
or (resid 14 and resn ser and name hn) (resid 15 and resn val and name ha)
!
! peak name 3dN146
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 650000.000000
! from proton shift 6.990000
! to proton shift 3.875000
! from heavyatom shift 113.445000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 146
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN147
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 236000.000000
! from proton shift 8.070000
! to proton shift 3.874000
! from heavyatom shift 124.999000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 147
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN148
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 528000.000000
! from proton shift 8.063000
! to proton shift 1.912000
! from heavyatom shift 124.978000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 148
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 15 and resn val and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN149
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 581000.000000
! from proton shift 8.062000
! to proton shift 0.861000
! from heavyatom shift 124.994000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 149
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 15 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 15 and resn val and name hn) (resid 15 and resn VAL and name hg*)
!
! peak name 3dN15
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 7.991000
! to proton shift 0.754000
! from heavyatom shift 120.777000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 15
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN150
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 827000.000000
! from proton shift 8.542000
! to proton shift 0.892000
! from heavyatom shift 127.722000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 150
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN152
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 851000.000000
! from proton shift 8.541000
! to proton shift 1.821000
! from heavyatom shift 127.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 152
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN154
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 587000.000000
! from proton shift 8.694000
! to proton shift 4.407000
! from heavyatom shift 119.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 154
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN155
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 841000.000000
! from proton shift 8.390000
! to proton shift 4.222000
! from heavyatom shift 116.510000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 155
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN156
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.390000
! to proton shift 4.088000
! from heavyatom shift 116.503000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 156
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN157
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 584000.000000
! from proton shift 8.388000
! to proton shift 4.402000
! from heavyatom shift 116.498000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 157
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN159
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 349000.000000
! from proton shift 8.500000
! to proton shift 4.091000
! from heavyatom shift 121.774000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 159
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hn) (resid 20 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN160
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 617000.000000
! from proton shift 8.499000
! to proton shift 0.741000
! from heavyatom shift 121.834000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 160
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hd*)
!
! peak name 3dN161
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 432000.000000
! from proton shift 8.502000
! to proton shift 1.167000
! from heavyatom shift 121.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 161
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hg12) 3.650000 1.850000 1.850000
or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hg2#)
!
! peak name 3dN162
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1400000.000000
! from proton shift 8.099000
! to proton shift 4.078000
! from heavyatom shift 123.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 162
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN163
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 7.947000
! to proton shift 4.207000
! from heavyatom shift 116.693000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 163
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN164
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1100000.000000
! from proton shift 8.035000
! to proton shift 4.080000
! from heavyatom shift 117.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 164
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 11 and resn ala and name ha) 3.400000 1.600000 1.600000
or (resid 12 and resn arg and name hn) (resid 12 and resn arg and name ha)
!
! peak name 3dN165
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.430000
! to proton shift 4.078000
! from heavyatom shift 118.675000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 165
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000
or (resid 78 and resn glu and name hn) (resid 79 and resn lys and name ha)
or (resid 47 and resn met and name hn) (resid 46 and resn leu and name ha)
!
! peak name 3dN166
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2780000.000000
! from proton shift 8.099000
! to proton shift 1.420000
! from heavyatom shift 123.030000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 166
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 79 and resn LYS and name hg*) 3.650000 1.850000 1.850000
or (resid 80 and resn ala and name hn) (resid 80 and resn ala and name hb#)
or (resid 80 and resn ala and name hn) (resid 81 and resn LEU and name hb*)
!
! peak name 3dN167
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1590000.000000
! from proton shift 7.948000
! to proton shift 1.425000
! from heavyatom shift 116.694000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 167
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hb*)
or (resid 81 and resn leu and name hn) (resid 81 and resn leu and name hg)
!
! peak name 3dN168
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.101000
! to proton shift 1.856000
! from heavyatom shift 123.039000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 168
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 79 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN17
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1180000.000000
! from proton shift 7.423000
! to proton shift 0.981000
! from heavyatom shift 108.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 17
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 5 and resn thr and name hn) (resid 3 and resn VAL and name hg*)
or (resid 5 and resn thr and name hn) (resid 5 and resn thr and name hg1)
!
! peak name 3dN170
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1770000.000000
! from proton shift 7.948000
! to proton shift 1.761000
! from heavyatom shift 116.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 170
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN171
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 398000.000000
! from proton shift 7.811000
! to proton shift 1.774000
! from heavyatom shift 108.883000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 171
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 82 and resn gly and name hn) (resid 84 and resn GLU and name hb*)
!
! peak name 3dN172
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 561000.000000
! from proton shift 7.947000
! to proton shift 0.859000
! from heavyatom shift 116.684000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 172
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 81 and resn leu and name hn) (resid 83 and resn LEU and name hd*)
!
! peak name 3dN173
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 7.812000
! to proton shift 0.861000
! from heavyatom shift 108.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 173
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 82 and resn gly and name hn) (resid 83 and resn LEU and name hd*)
!
! peak name 3dN174
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 839000.000000
! from proton shift 8.106000
! to proton shift 3.937000
! from heavyatom shift 119.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 174
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*)
!
! peak name 3dN175
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.811000
! to proton shift 3.934000
! from heavyatom shift 108.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 175
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*)
!
! peak name 3dN176
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 250000.000000
! from proton shift 7.946000
! to proton shift 3.914000
! from heavyatom shift 116.639000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 176
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN177
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.106000
! to proton shift 4.381000
! from heavyatom shift 119.655000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 177
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN178
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 859000.000000
! from proton shift 8.105000
! to proton shift 0.850000
! from heavyatom shift 119.677000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 178
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 83 and resn leu and name hn) (resid 83 and resn LEU and name hd*)
!
! peak name 3dN179
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 477000.000000
! from proton shift 8.325000
! to proton shift 0.354000
! from heavyatom shift 120.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 179
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN18
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 8.809000
! to proton shift 1.839000
! from heavyatom shift 127.744000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 18
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 3 and resn val and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN180
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 192000.000000
! from proton shift 8.102000
! to proton shift 0.814000
! from heavyatom shift 123.040000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 180
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 77 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN181
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 572000.000000
! from proton shift 8.043000
! to proton shift 1.415000
! from heavyatom shift 117.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 181
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#)
or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#)
or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*)
or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hg*)
or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*)
or (resid 79 and resn lys and name hn) (resid 80 and resn ala and name hb#)
or (resid 79 and resn lys and name hn) (resid 81 and resn LEU and name hb*)
!
! peak name 3dN182
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 572000.000000
! from proton shift 8.043000
! to proton shift 1.415000
! from heavyatom shift 117.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 182
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#)
or (resid 12 and resn arg and name hn) (resid 11 and resn ala and name hb#)
or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*)
or (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hg*)
or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*)
or (resid 79 and resn lys and name hn) (resid 80 and resn ala and name hb#)
or (resid 79 and resn lys and name hn) (resid 81 and resn LEU and name hb*)
!
! peak name 3dN183
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 722000.000000
! from proton shift 8.423000
! to proton shift 3.667000
! from heavyatom shift 118.677000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 183
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 78 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN185
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1380000.000000
! from proton shift 8.431000
! to proton shift 2.487000
! from heavyatom shift 118.647000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 185
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN187
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.430000
! to proton shift 2.122000
! from heavyatom shift 118.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 187
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 47 and resn met and name hn) (resid 47 and resn MET and name hg*)
!
! peak name 3dN188
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 882000.000000
! from proton shift 8.074000
! to proton shift 3.901000
! from heavyatom shift 120.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 188
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN189
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 615000.000000
! from proton shift 7.717000
! to proton shift 3.851000
! from heavyatom shift 121.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 189
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 76 and resn gln and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN19
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 251000.000000
! from proton shift 7.423000
! to proton shift 3.118000
! from heavyatom shift 108.581000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 19
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN190
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1410000.000000
! from proton shift 7.895000
! to proton shift 4.258000
! from heavyatom shift 114.858000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 190
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 75 and resn thr and name hb) 3.400000 1.600000 1.600000
or (resid 75 and resn thr and name hn) (resid 75 and resn thr and name hg1)
!
! peak name 3dN191
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 537000.000000
! from proton shift 7.718000
! to proton shift 4.266000
! from heavyatom shift 121.235000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 191
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hb) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hg1)
!
! peak name 3dN192
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 904000.000000
! from proton shift 7.893000
! to proton shift 4.077000
! from heavyatom shift 114.872000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 192
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN193
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 290000.000000
! from proton shift 7.721000
! to proton shift 4.060000
! from heavyatom shift 121.198000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 193
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 75 and resn thr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN194
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.436000
! to proton shift 0.802000
! from heavyatom shift 118.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 194
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 47 and resn met and name hn) (resid 77 and resn LEU and name hd*)
or (resid 78 and resn glu and name hn) (resid 77 and resn LEU and name hd*)
or (resid 78 and resn glu and name hn) (resid 77 and resn leu and name hg)
!
! peak name 3dN195
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 865000.000000
! from proton shift 8.068000
! to proton shift 0.786000
! from heavyatom shift 120.667000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 195
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 77 and resn leu and name hg) 3.400000 1.600000 1.600000
!
! peak name 3dN196
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 567000.000000
! from proton shift 8.539000
! to proton shift 3.691000
! from heavyatom shift 119.325000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 196
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN197
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 280000.000000
! from proton shift 7.896000
! to proton shift 3.690000
! from heavyatom shift 114.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 197
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN198
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 788000.000000
! from proton shift 7.895000
! to proton shift 1.244000
! from heavyatom shift 114.850000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 198
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN199
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 314000.000000
! from proton shift 7.718000
! to proton shift 1.236000
! from heavyatom shift 121.208000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 199
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN2
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 296000.000000
! from proton shift 8.864000
! to proton shift 1.557000
! from heavyatom shift 130.995000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 2
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 40 and resn leu and name hn) (resid 40 and resn leu and name hg)
!
! peak name 3dN20
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 390000.000000
! from proton shift 7.426000
! to proton shift 3.323000
! from heavyatom shift 108.568000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 20
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN200
! bounds 5.000000 1.800000
! likelihood 0.970000
! intensity 127000.000000
! from proton shift 8.538000
! to proton shift 1.260000
! from heavyatom shift 119.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 200
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN201
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 982000.000000
! from proton shift 8.539000
! to proton shift 1.889000
! from heavyatom shift 119.317000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 201
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hb*)
or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hg*)
!
! peak name 3dN202
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 8.542000
! to proton shift 1.448000
! from heavyatom shift 119.328000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 202
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hg*) 3.650000 1.850000 1.850000
or (resid 74 and resn arg and name hn) (resid 77 and resn LEU and name hd*)
!
! peak name 3dN204
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 584000.000000
! from proton shift 7.894000
! to proton shift 1.885000
! from heavyatom shift 114.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 204
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hb*)
or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hg*)
!
! peak name 3dN205
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 616000.000000
! from proton shift 7.718000
! to proton shift 1.888000
! from heavyatom shift 121.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 205
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 74 and resn ARG and name hb*)
!
! peak name 3dN206
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 715000.000000
! from proton shift 7.717000
! to proton shift 2.129000
! from heavyatom shift 121.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 206
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 73 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 76 and resn GLN and name hg*)
or (resid 76 and resn gln and name hn) (resid 77 and resn LEU and name hb*)
!
! peak name 3dN207
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 935000.000000
! from proton shift 7.718000
! to proton shift 2.323000
! from heavyatom shift 121.232000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 207
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 78 and resn GLU and name hb*)
!
! peak name 3dN208
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 385000.000000
! from proton shift 7.885000
! to proton shift 4.454000
! from heavyatom shift 121.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 208
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 70 and resn phe and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN209
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 171000.000000
! from proton shift 8.540000
! to proton shift 4.451000
! from heavyatom shift 119.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 209
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 70 and resn phe and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN21
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 263000.000000
! from proton shift 7.425000
! to proton shift 3.999000
! from heavyatom shift 108.561000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 21
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 5 and resn thr and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN210
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 692000.000000
! from proton shift 7.595000
! to proton shift 4.000000
! from heavyatom shift 121.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 210
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN211
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 698000.000000
! from proton shift 7.894000
! to proton shift 2.179000
! from heavyatom shift 114.871000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 211
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 75 and resn thr and name hn) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 75 and resn thr and name hn) (resid 74 and resn ARG and name hb*)
!
! peak name 3dN212
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.539000
! to proton shift 2.173000
! from heavyatom shift 119.337000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 212
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 72 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hb*)
!
! peak name 3dN213
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1050000.000000
! from proton shift 7.594000
! to proton shift 2.132000
! from heavyatom shift 121.839000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 213
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 72 and resn glu and name hn) (resid 73 and resn LEU and name hb*)
!
! peak name 3dN214
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1870000.000000
! from proton shift 7.594000
! to proton shift 1.978000
! from heavyatom shift 121.844000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 214
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN215
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1300000.000000
! from proton shift 7.887000
! to proton shift 2.129000
! from heavyatom shift 121.263000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 215
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 72 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*)
!
! peak name 3dN216
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 303000.000000
! from proton shift 7.884000
! to proton shift 0.930000
! from heavyatom shift 121.271000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 216
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN217
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 269000.000000
! from proton shift 8.897000
! to proton shift 3.915000
! from heavyatom shift 120.089000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 217
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN218
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 170000.000000
! from proton shift 8.895000
! to proton shift 4.448000
! from heavyatom shift 120.077000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 218
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 68 and resn asn and name ha) 3.400000 1.600000 1.600000
or (resid 71 and resn arg and name hn) (resid 70 and resn phe and name ha)
!
! peak name 3dN219
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 661000.000000
! from proton shift 8.899000
! to proton shift 1.954000
! from heavyatom shift 120.074000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 219
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN22
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 7.423000
! to proton shift 4.535000
! from heavyatom shift 108.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 22
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 5 and resn thr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN220
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 336000.000000
! from proton shift 8.899000
! to proton shift 3.167000
! from heavyatom shift 120.061000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 220
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000
or (resid 71 and resn arg and name hn) (resid 71 and resn ARG and name hd*)
!
! peak name 3dN221
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1300000.000000
! from proton shift 8.016000
! to proton shift 3.183000
! from heavyatom shift 116.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 221
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN222
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 850000.000000
! from proton shift 7.341000
! to proton shift 2.996000
! from heavyatom shift 115.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 222
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
or (resid 35 and resn his and name hn) (resid 36 and resn ASN and name hb*)
or (resid 35 and resn his and name hn) (resid 38 and resn ASN and name hb*)
!
! peak name 3dN223
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 318000.000000
! from proton shift 7.748000
! to proton shift 3.214000
! from heavyatom shift 116.632000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 223
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN225
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 727000.000000
! from proton shift 8.016000
! to proton shift 4.464000
! from heavyatom shift 116.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 225
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000
or (resid 70 and resn phe and name hn) (resid 70 and resn phe and name ha)
!
! peak name 3dN226
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2130000.000000
! from proton shift 8.181000
! to proton shift 1.392000
! from heavyatom shift 122.769000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 226
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dN227
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 694000.000000
! from proton shift 8.180000
! to proton shift 2.922000
! from heavyatom shift 122.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 227
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 68 and resn ASN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN228
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 766000.000000
! from proton shift 8.180000
! to proton shift 4.483000
! from heavyatom shift 122.766000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 228
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN229
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 610000.000000
! from proton shift 8.336000
! to proton shift 4.433000
! from heavyatom shift 118.364000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 229
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name hn) (resid 68 and resn asn and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN23
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 370000.000000
! from proton shift 8.810000
! to proton shift 3.318000
! from heavyatom shift 127.721000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 23
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN231
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 956000.000000
! from proton shift 8.335000
! to proton shift 2.932000
! from heavyatom shift 118.363000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 231
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name hn) (resid 68 and resn ASN and name hb*) 3.400000 1.600000 1.600000
or (resid 68 and resn asn and name hn) (resid 68 and resn ASN and name hb*)
!
! peak name 3dN232
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 162000.000000
! from proton shift 8.182000
! to proton shift 3.907000
! from heavyatom shift 122.738000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 232
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 66 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN233
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 240000.000000
! from proton shift 7.363000
! to proton shift 3.914000
! from heavyatom shift 115.833000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 233
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hn) (resid 66 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN234
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 608000.000000
! from proton shift 7.341000
! to proton shift 3.223000
! from heavyatom shift 115.604000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 234
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN235
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 490000.000000
! from proton shift 7.842000
! to proton shift 4.970000
! from heavyatom shift 121.564000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 235
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 38 and resn asn and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN236
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 8.984000
! to proton shift 4.980000
! from heavyatom shift 125.545000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 236
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn asn and name hn) (resid 38 and resn asn and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN237
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 728000.000000
! from proton shift 8.981000
! to proton shift 4.494000
! from heavyatom shift 125.560000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 237
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn asn and name hn) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN238
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 831000.000000
! from proton shift 7.394000
! to proton shift 3.824000
! from heavyatom shift 115.195000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 238
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN239
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 563000.000000
! from proton shift 7.395000
! to proton shift 4.493000
! from heavyatom shift 115.192000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 239
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 37 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN240
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1070000.000000
! from proton shift 7.394000
! to proton shift 3.739000
! from heavyatom shift 115.202000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 240
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN241
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 216000.000000
! from proton shift 8.980000
! to proton shift 2.811000
! from heavyatom shift 125.582000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 241
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn asn and name hn) (resid 38 and resn ASN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN242
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 106000.000000
! from proton shift 7.843000
! to proton shift 2.802000
! from heavyatom shift 121.549000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 242
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 38 and resn ASN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN243
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1320000.000000
! from proton shift 7.842000
! to proton shift 1.882000
! from heavyatom shift 121.552000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 243
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 39 and resn ile and name hg2#) 3.650000 1.850000 1.850000
or (resid 39 and resn ile and name hn) (resid 43 and resn ARG and name hb*)
!
! peak name 3dN244
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 310000.000000
! from proton shift 7.840000
! to proton shift 0.877000
! from heavyatom shift 121.551000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 244
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN245
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 7.842000
! to proton shift 1.073000
! from heavyatom shift 121.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 245
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 39 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dN246
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 679000.000000
! from proton shift 7.745000
! to proton shift 4.812000
! from heavyatom shift 116.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 246
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 36 and resn asn and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN248
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 543000.000000
! from proton shift 7.342000
! to proton shift 4.246000
! from heavyatom shift 115.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 248
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN249
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 7.744000
! to proton shift 4.235000
! from heavyatom shift 116.627000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 249
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN25
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 137000.000000
! from proton shift 8.062000
! to proton shift 8.541000
! from heavyatom shift 124.979000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 25
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 16 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN250
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1280000.000000
! from proton shift 7.747000
! to proton shift 2.736000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 250
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 36 and resn ASN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN251
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1030000.000000
! from proton shift 7.747000
! to proton shift 2.996000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 251
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
or (resid 36 and resn asn and name hn) (resid 36 and resn ASN and name hb*)
or (resid 36 and resn asn and name hn) (resid 38 and resn ASN and name hb*)
!
! peak name 3dN252
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 847000.000000
! from proton shift 7.341000
! to proton shift 2.994000
! from heavyatom shift 115.596000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 252
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
or (resid 35 and resn his and name hn) (resid 36 and resn ASN and name hb*)
or (resid 35 and resn his and name hn) (resid 38 and resn ASN and name hb*)
!
! peak name 3dN253
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 325000.000000
! from proton shift 7.394000
! to proton shift 2.743000
! from heavyatom shift 115.215000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 253
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 36 and resn ASN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN254
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 353000.000000
! from proton shift 7.341000
! to proton shift 0.495000
! from heavyatom shift 115.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 254
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 34 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN255
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 732000.000000
! from proton shift 7.340000
! to proton shift 2.076000
! from heavyatom shift 115.575000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 255
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 35 and resn his and name hn) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 35 and resn his and name hn) (resid 34 and resn ile and name hb)
!
! peak name 3dN256
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1250000.000000
! from proton shift 7.688000
! to proton shift 4.050000
! from heavyatom shift 118.249000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 256
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN257
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 7.687000
! to proton shift 2.090000
! from heavyatom shift 118.246000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 257
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 33 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN258
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1150000.000000
! from proton shift 8.514000
! to proton shift 3.826000
! from heavyatom shift 114.758000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 258
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN259
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 320000.000000
! from proton shift 7.218000
! to proton shift 3.810000
! from heavyatom shift 121.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 259
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 8 and resn val and name hn) (resid 9 and resn leu and name ha)
!
! peak name 3dN260
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 691000.000000
! from proton shift 7.217000
! to proton shift 3.484000
! from heavyatom shift 121.752000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 260
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN261
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 7.218000
! to proton shift 0.839000
! from heavyatom shift 121.764000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 261
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN262
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1430000.000000
! from proton shift 7.216000
! to proton shift 1.719000
! from heavyatom shift 121.756000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 262
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 8 and resn val and name hb) 3.400000 1.600000 1.600000
or (resid 8 and resn val and name hn) (resid 10 and resn LYS and name hb*)
!
! peak name 3dN263
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 7.216000
! to proton shift 1.973000
! from heavyatom shift 121.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 263
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 8 and resn val and name hn) (resid 9 and resn LEU and name hb*)
!
! peak name 3dN264
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 688000.000000
! from proton shift 8.514000
! to proton shift 2.309000
! from heavyatom shift 114.761000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 264
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 7 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hb*)
!
! peak name 3dN265
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.516000
! to proton shift 2.000000
! from heavyatom shift 114.768000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 265
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN266
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 181000.000000
! from proton shift 8.513000
! to proton shift 0.834000
! from heavyatom shift 114.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 266
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
or (resid 7 and resn glu and name hn) (resid 28 and resn LEU and name hd*)
!
! peak name 3dN267
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 165000.000000
! from proton shift 8.046000
! to proton shift 3.477000
! from heavyatom shift 119.481000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 267
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN268
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 745000.000000
! from proton shift 8.454000
! to proton shift 4.134000
! from heavyatom shift 115.644000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 268
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 10 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN269
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 332000.000000
! from proton shift 8.455000
! to proton shift 3.805000
! from heavyatom shift 115.687000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 269
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name hn) (resid 9 and resn leu and name ha)
!
! peak name 3dN27
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 120000.000000
! from proton shift 8.066000
! to proton shift 6.966000
! from heavyatom shift 124.936000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 27
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 14 and resn ser and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN270
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 596000.000000
! from proton shift 8.454000
! to proton shift 1.405000
! from heavyatom shift 115.650000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 270
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 10 and resn lys and name hn) (resid 11 and resn ala and name hb#)
or (resid 10 and resn lys and name hn) (resid 11 and resn ala and name hb#)
or (resid 10 and resn lys and name hn) (resid 12 and resn ARG and name hb*)
!
! peak name 3dN271
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1720000.000000
! from proton shift 8.455000
! to proton shift 1.732000
! from heavyatom shift 115.648000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 271
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 8 and resn val and name hb) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name hn) (resid 10 and resn LYS and name hb*)
!
! peak name 3dN272
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2620000.000000
! from proton shift 7.174000
! to proton shift 1.404000
! from heavyatom shift 120.083000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 272
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 11 and resn ala and name hn) (resid 11 and resn ala and name hb#)
or (resid 11 and resn ala and name hn) (resid 11 and resn ala and name hb#)
or (resid 11 and resn ala and name hn) (resid 12 and resn ARG and name hb*)
!
! peak name 3dN273
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 758000.000000
! from proton shift 7.174000
! to proton shift 1.729000
! from heavyatom shift 120.092000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 273
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 10 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN274
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 658000.000000
! from proton shift 8.067000
! to proton shift 4.041000
! from heavyatom shift 117.410000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 274
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn lys and name hn) (resid 80 and resn ala and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN275
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 548000.000000
! from proton shift 8.455000
! to proton shift 1.979000
! from heavyatom shift 115.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 275
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name hn) (resid 9 and resn LEU and name hb*)
or (resid 10 and resn lys and name hn) (resid 10 and resn LYS and name hb*)
!
! peak name 3dN276
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1740000.000000
! from proton shift 8.656000
! to proton shift 1.255000
! from heavyatom shift 120.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 276
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 9 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 13 and resn ala and name hn) (resid 13 and resn ala and name hb#)
!
! peak name 3dN277
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 543000.000000
! from proton shift 8.655000
! to proton shift 4.328000
! from heavyatom shift 120.226000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 277
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 13 and resn ala and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN278
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 769000.000000
! from proton shift 7.639000
! to proton shift 4.913000
! from heavyatom shift 121.631000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 278
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 18 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN28
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 229000.000000
! from proton shift 8.752000
! to proton shift 7.635000
! from heavyatom shift 114.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 28
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn gly and name hn) (resid 18 and resn lys and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN280
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 902000.000000
! from proton shift 8.753000
! to proton shift 3.899000
! from heavyatom shift 114.211000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 280
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn gly and name hn) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN282
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 648000.000000
! from proton shift 7.639000
! to proton shift 3.735000
! from heavyatom shift 121.626000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 282
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 18 and resn lys and name hn) (resid 19 and resn PRO and name hd*)
!
! peak name 3dN283
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1360000.000000
! from proton shift 7.638000
! to proton shift 1.899000
! from heavyatom shift 121.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 283
! note degeneracy 68, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 18 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN284
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1460000.000000
! from proton shift 7.638000
! to proton shift 1.610000
! from heavyatom shift 121.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 284
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 18 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN285
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 359000.000000
! from proton shift 7.639000
! to proton shift 1.414000
! from heavyatom shift 121.638000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 285
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 18 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN286
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 305000.000000
! from proton shift 8.517000
! to proton shift 3.398000
! from heavyatom shift 120.111000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 286
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN287
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1590000.000000
! from proton shift 7.960000
! to proton shift 4.115000
! from heavyatom shift 118.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 287
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000
or (resid 53 and resn leu and name hn) (resid 49 and resn glu and name ha)
or (resid 53 and resn leu and name hn) (resid 50 and resn leu and name ha)
or (resid 53 and resn leu and name hn) (resid 52 and resn glu and name ha)
or (resid 53 and resn leu and name hn) (resid 53 and resn leu and name ha)
!
! peak name 3dN288
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 542000.000000
! from proton shift 8.515000
! to proton shift 3.669000
! from heavyatom shift 120.162000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 288
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN289
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 259000.000000
! from proton shift 7.973000
! to proton shift 3.661000
! from heavyatom shift 118.596000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 289
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 53 and resn leu and name hn) (resid 51 and resn met and name ha)
!
! peak name 3dN29
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 472000.000000
! from proton shift 8.751000
! to proton shift 3.745000
! from heavyatom shift 114.227000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 29
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn gly and name hn) (resid 17 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN290
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 526000.000000
! from proton shift 7.972000
! to proton shift 1.688000
! from heavyatom shift 118.623000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 290
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN291
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 268000.000000
! from proton shift 7.733000
! to proton shift 4.092000
! from heavyatom shift 123.056000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 291
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 26 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN292
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 538000.000000
! from proton shift 7.734000
! to proton shift 3.454000
! from heavyatom shift 123.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 292
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN293
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 8.324000
! to proton shift 3.460000
! from heavyatom shift 120.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 293
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN295
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 535000.000000
! from proton shift 8.324000
! to proton shift 3.817000
! from heavyatom shift 120.097000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 295
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN296
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 322000.000000
! from proton shift 8.088000
! to proton shift 3.835000
! from heavyatom shift 121.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 296
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN297
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.327000
! to proton shift 1.472000
! from heavyatom shift 120.138000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 297
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 28 and resn leu and name hn) (resid 28 and resn leu and name hg)
!
! peak name 3dN298
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2800000.000000
! from proton shift 8.092000
! to proton shift 1.499000
! from heavyatom shift 121.115000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 298
! note degeneracy 72, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hn) (resid 29 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dN299
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 625000.000000
! from proton shift 8.413000
! to proton shift 4.171000
! from heavyatom shift 119.508000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 299
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 85 and resn his and name hn) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 31 and resn leu and name hn) (resid 29 and resn ala and name ha)
or (resid 31 and resn leu and name hn) (resid 31 and resn leu and name ha)
!
! peak name 3dN3
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 436000.000000
! from proton shift 8.865000
! to proton shift 3.950000
! from heavyatom shift 131.001000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 3
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN30
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 321000.000000
! from proton shift 8.543000
! to proton shift 3.906000
! from heavyatom shift 127.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 30
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN300
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 663000.000000
! from proton shift 8.306000
! to proton shift 4.026000
! from heavyatom shift 118.954000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 300
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 32 and resn gln and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN301
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 629000.000000
! from proton shift 8.417000
! to proton shift 0.919000
! from heavyatom shift 119.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 301
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 31 and resn leu and name hg) 3.400000 1.600000 1.600000
!
! peak name 3dN302
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.306000
! to proton shift 2.254000
! from heavyatom shift 118.967000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 302
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN303
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1040000.000000
! from proton shift 8.415000
! to proton shift 2.116000
! from heavyatom shift 119.479000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 303
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 85 and resn his and name hn) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN304
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 817000.000000
! from proton shift 8.513000
! to proton shift 3.808000
! from heavyatom shift 121.260000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 304
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN305
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 846000.000000
! from proton shift 8.710000
! to proton shift 3.994000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 305
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000
or (resid 44 and resn gln and name hn) (resid 45 and resn GLY and name ha*)
!
! peak name 3dN306
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 7.863000
! to proton shift 4.080000
! from heavyatom shift 107.608000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 306
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 46 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN307
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1420000.000000
! from proton shift 7.862000
! to proton shift 3.976000
! from heavyatom shift 107.595000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 307
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000
or (resid 45 and resn gly and name hn) (resid 45 and resn GLY and name ha*)
!
! peak name 3dN308
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.005000
! to proton shift 3.400000
! from heavyatom shift 119.926000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 308
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 61 and resn gln and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN309
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 668000.000000
! from proton shift 8.811000
! to proton shift 3.126000
! from heavyatom shift 127.753000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 309
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 4 and resn TRP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN31
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 447000.000000
! from proton shift 8.541000
! to proton shift 1.573000
! from heavyatom shift 127.728000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 31
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dN310
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.811000
! to proton shift 3.934000
! from heavyatom shift 108.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 310
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 82 and resn gly and name hn) (resid 82 and resn GLY and name ha*)
!
! peak name 3dN311
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 673000.000000
! from proton shift 7.830000
! to proton shift 4.379000
! from heavyatom shift 112.550000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 311
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name hn) (resid 60 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN312
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 634000.000000
! from proton shift 7.829000
! to proton shift 4.063000
! from heavyatom shift 112.556000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 312
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000
or (resid 60 and resn ser and name hn) (resid 59 and resn glu and name ha)
or (resid 60 and resn ser and name hn) (resid 60 and resn SER and name hb*)
!
! peak name 3dN313
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 582000.000000
! from proton shift 8.227000
! to proton shift 4.532000
! from heavyatom shift 112.866000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 313
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 62 and resn pro and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN315
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 7.768000
! to proton shift 4.071000
! from heavyatom shift 115.903000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 315
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn glu and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000
or (resid 59 and resn glu and name hn) (resid 59 and resn glu and name ha)
or (resid 59 and resn glu and name hn) (resid 60 and resn SER and name hb*)
!
! peak name 3dN316
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 3430000.000000
! from proton shift 7.767000
! to proton shift 2.131000
! from heavyatom shift 115.907000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 316
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn glu and name hn) (resid 58 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hb*)
!
! peak name 3dN317
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1180000.000000
! from proton shift 7.766000
! to proton shift 2.317000
! from heavyatom shift 115.913000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 317
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 59 and resn glu and name hn) (resid 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hb*)
or (resid 59 and resn glu and name hn) (resid 59 and resn GLU and name hg*)
!
! peak name 3dN318
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1600000.000000
! from proton shift 8.779000
! to proton shift 2.599000
! from heavyatom shift 116.323000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 318
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 41 and resn ASP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN319
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 664000.000000
! from proton shift 7.821000
! to proton shift 4.716000
! from heavyatom shift 116.432000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 319
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 64 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN32
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1940000.000000
! from proton shift 8.062000
! to proton shift 4.193000
! from heavyatom shift 124.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 32
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000
or (resid 15 and resn val and name hn) (resid 15 and resn val and name ha)
!
! peak name 3dN320
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 539000.000000
! from proton shift 7.820000
! to proton shift 4.280000
! from heavyatom shift 116.454000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 320
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 64 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN321
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 7.456000
! to proton shift 4.121000
! from heavyatom shift 116.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 321
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 49 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 52 and resn glu and name hn) (resid 50 and resn leu and name ha)
or (resid 52 and resn glu and name hn) (resid 52 and resn glu and name ha)
or (resid 52 and resn glu and name hn) (resid 53 and resn leu and name ha)
!
! peak name 3dN322
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2590000.000000
! from proton shift 7.456000
! to proton shift 2.185000
! from heavyatom shift 116.887000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 322
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN323
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 678000.000000
! from proton shift 7.456000
! to proton shift 2.417000
! from heavyatom shift 116.895000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 323
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 52 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN324
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 184000.000000
! from proton shift 8.065000
! to proton shift 2.861000
! from heavyatom shift 117.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 324
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name he*) 3.400000 1.600000 1.600000
!
! peak name 3dN325
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1930000.000000
! from proton shift 8.065000
! to proton shift 1.391000
! from heavyatom shift 117.379000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 325
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN326
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 607000.000000
! from proton shift 8.054000
! to proton shift 3.673000
! from heavyatom shift 118.964000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 326
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN327
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 340000.000000
! from proton shift 8.542000
! to proton shift 1.239000
! from heavyatom shift 127.715000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 327
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 16 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN328
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 626000.000000
! from proton shift 8.292000
! to proton shift 4.052000
! from heavyatom shift 124.035000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 328
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000
or (resid 57 and resn tyr and name hn) (resid 60 and resn SER and name hb*)
!
! peak name 3dN329
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 955000.000000
! from proton shift 8.292000
! to proton shift 3.285000
! from heavyatom shift 124.049000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 329
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN33
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 623000.000000
! from proton shift 6.950000
! to proton shift 8.763000
! from heavyatom shift 120.420000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 33
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 41 and resn asp and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN330
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 950000.000000
! from proton shift 8.291000
! to proton shift 3.112000
! from heavyatom shift 124.034000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 330
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN331
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 515000.000000
! from proton shift 8.154000
! to proton shift 1.205000
! from heavyatom shift 121.873000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 331
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN332
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1440000.000000
! from proton shift 8.497000
! to proton shift 1.841000
! from heavyatom shift 121.856000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 332
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hn) (resid 19 and resn PRO and name hb*) 3.400000 1.600000 1.600000
or (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hb)
!
! peak name 3dN333
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 787000.000000
! from proton shift 8.266000
! to proton shift 4.298000
! from heavyatom shift 121.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 333
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 55 and resn asp and name ha) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 55 and resn asp and name ha)
!
! peak name 3dN334
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1080000.000000
! from proton shift 8.265000
! to proton shift 2.941000
! from heavyatom shift 121.812000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 334
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 55 and resn ASP and name hb*) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 55 and resn ASP and name hb*)
!
! peak name 3dN335
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 524000.000000
! from proton shift 8.282000
! to proton shift 3.468000
! from heavyatom shift 121.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 335
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name ha)
!
! peak name 3dN336
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.286000
! to proton shift 0.516000
! from heavyatom shift 121.628000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 336
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hg12) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg12)
!
! peak name 3dN337
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 788000.000000
! from proton shift 8.343000
! to proton shift 4.166000
! from heavyatom shift 120.520000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 337
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 84 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN338
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 376000.000000
! from proton shift 7.734000
! to proton shift 0.202000
! from heavyatom shift 123.060000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 338
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN339
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 439000.000000
! from proton shift 7.948000
! to proton shift 0.393000
! from heavyatom shift 116.671000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 339
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN34
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1060000.000000
! from proton shift 6.950000
! to proton shift 8.508000
! from heavyatom shift 120.426000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 34
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 43 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN340
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 8.091000
! to proton shift 0.351000
! from heavyatom shift 121.166000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 340
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN341
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 112000.000000
! from proton shift 7.732000
! to proton shift 0.358000
! from heavyatom shift 123.112000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 341
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN342
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 377000.000000
! from proton shift 7.735000
! to proton shift 0.523000
! from heavyatom shift 123.108000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 342
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dN343
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 411000.000000
! from proton shift 8.003000
! to proton shift 0.501000
! from heavyatom shift 119.941000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 343
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN344
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 408000.000000
! from proton shift 8.327000
! to proton shift 0.526000
! from heavyatom shift 120.099000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 344
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 27 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dN347
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 319000.000000
! from proton shift 7.734000
! to proton shift 0.660000
! from heavyatom shift 123.082000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 347
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN348
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 8.286000
! to proton shift 0.198000
! from heavyatom shift 121.597000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 348
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hd*)
!
! peak name 3dN35
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 731000.000000
! from proton shift 8.658000
! to proton shift 6.981000
! from heavyatom shift 120.240000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 35
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 14 and resn ser and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN350
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 123000.000000
! from proton shift 8.322000
! to proton shift 0.179000
! from heavyatom shift 120.151000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 350
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN351
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 388000.000000
! from proton shift 8.387000
! to proton shift 0.743000
! from heavyatom shift 116.520000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 351
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hd*)
!
! peak name 3dN352
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 440000.000000
! from proton shift 8.779000
! to proton shift 0.919000
! from heavyatom shift 116.320000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 352
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN353
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 380000.000000
! from proton shift 8.543000
! to proton shift 0.949000
! from heavyatom shift 119.355000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 353
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000
or (resid 74 and resn arg and name hn) (resid 73 and resn leu and name hg)
!
! peak name 3dN355
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 6.955000
! to proton shift 0.887000
! from heavyatom shift 120.419000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 355
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN357
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 506000.000000
! from proton shift 6.952000
! to proton shift 2.604000
! from heavyatom shift 120.407000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 357
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 41 and resn ASP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN358
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 308000.000000
! from proton shift 6.950000
! to proton shift 4.359000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 358
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN36
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.644000
! to proton shift 8.051000
! from heavyatom shift 120.287000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 36
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000
or (resid 13 and resn ala and name hn) (resid 15 and resn val and name hn)
or (resid 50 and resn leu and name hn) (resid 51 and resn met and name hn)
or (resid 50 and resn leu and name hn) (resid 48 and resn his and name hn)
!
! peak name 3dN360
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1860000.000000
! from proton shift 8.345000
! to proton shift 4.377000
! from heavyatom shift 120.592000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 360
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 83 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN361
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 279000.000000
! from proton shift 7.736000
! to proton shift 4.627000
! from heavyatom shift 123.100000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 361
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 24 and resn tyr and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN362
! bounds 5.000000 1.800000
! likelihood 0.900000
! intensity 297000.000000
! from proton shift 7.811000
! to proton shift 1.562000
! from heavyatom shift 108.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 362
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 83 and resn leu and name hg) 3.400000 1.600000 1.600000
!
! peak name 3dN363
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 383000.000000
! from proton shift 7.811000
! to proton shift 1.434000
! from heavyatom shift 108.890000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 363
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 80 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 82 and resn gly and name hn) (resid 81 and resn LEU and name hb*)
or (resid 82 and resn gly and name hn) (resid 81 and resn leu and name hg)
!
! peak name 3dN364
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 346000.000000
! from proton shift 7.812000
! to proton shift 4.198000
! from heavyatom shift 108.912000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 364
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 82 and resn gly and name hn) (resid 81 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN366
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 7.392000
! to proton shift 4.036000
! from heavyatom shift 115.222000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 366
! note degeneracy 84, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN367
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 840000.000000
! from proton shift 8.635000
! to proton shift 8.176000
! from heavyatom shift 120.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 367
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 49 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN368
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 7.956000
! to proton shift 2.401000
! from heavyatom shift 118.505000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 368
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn leu and name hn) (resid 52 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN369
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 7.395000
! to proton shift 3.209000
! from heavyatom shift 115.218000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 369
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 35 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN37
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 883000.000000
! from proton shift 7.174000
! to proton shift 8.051000
! from heavyatom shift 120.086000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 37
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN370
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.514000
! to proton shift 1.901000
! from heavyatom shift 114.760000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 370
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 7 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN371
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 289000.000000
! from proton shift 8.515000
! to proton shift 1.740000
! from heavyatom shift 114.823000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 371
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN373
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 7.828000
! to proton shift 3.945000
! from heavyatom shift 112.528000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 373
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name hn) (resid 60 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN374
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.228000
! to proton shift 1.932000
! from heavyatom shift 112.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 374
! note degeneracy 39, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN375
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 285000.000000
! from proton shift 7.174000
! to proton shift 3.477000
! from heavyatom shift 120.096000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 375
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 8 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN376
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 330000.000000
! from proton shift 8.540000
! to proton shift 3.917000
! from heavyatom shift 119.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 376
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 71 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN377
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1190000.000000
! from proton shift 8.184000
! to proton shift 4.110000
! from heavyatom shift 119.321000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 377
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000
or (resid 49 and resn glu and name hn) (resid 49 and resn glu and name ha)
or (resid 49 and resn glu and name hn) (resid 50 and resn leu and name ha)
!
! peak name 3dN378
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 833000.000000
! from proton shift 8.307000
! to proton shift 8.399000
! from heavyatom shift 118.914000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 378
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 31 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN379
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 156000.000000
! from proton shift 7.219000
! to proton shift 1.415000
! from heavyatom shift 121.785000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 379
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 9 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 8 and resn val and name hn) (resid 11 and resn ala and name hb#)
or (resid 8 and resn val and name hn) (resid 11 and resn ala and name hb#)
!
! peak name 3dN38
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 549000.000000
! from proton shift 7.174000
! to proton shift 8.443000
! from heavyatom shift 120.094000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 38
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 10 and resn lys and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN381
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 7.215000
! to proton shift 2.334000
! from heavyatom shift 121.825000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 381
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 6 and resn PRO and name hg*) 3.400000 1.600000 1.600000
or (resid 8 and resn val and name hn) (resid 6 and resn PRO and name hb*)
!
! peak name 3dN382
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 113000.000000
! from proton shift 7.454000
! to proton shift 1.438000
! from heavyatom shift 116.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 382
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 53 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 52 and resn glu and name hn) (resid 77 and resn LEU and name hd*)
!
! peak name 3dN383
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 100000.000000
! from proton shift 7.949000
! to proton shift 1.219000
! from heavyatom shift 116.657000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 383
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 77 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN385
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 199000.000000
! from proton shift 7.454000
! to proton shift 3.669000
! from heavyatom shift 116.889000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 385
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN386
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 85300.000000
! from proton shift 7.218000
! to proton shift 4.122000
! from heavyatom shift 121.773000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 386
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 6 and resn pro and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN387
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 204000.000000
! from proton shift 7.170000
! to proton shift 3.808000
! from heavyatom shift 120.093000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 387
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 7 and resn glu and name ha) 3.400000 1.600000 1.600000
or (resid 11 and resn ala and name hn) (resid 9 and resn leu and name ha)
!
! peak name 3dN388
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 439000.000000
! from proton shift 8.179000
! to proton shift 8.341000
! from heavyatom shift 122.771000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 388
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 68 and resn asn and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN390
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 92500.000000
! from proton shift 7.603000
! to proton shift 8.534000
! from heavyatom shift 121.783000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 390
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN391
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 144000.000000
! from proton shift 8.540000
! to proton shift 8.061000
! from heavyatom shift 119.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 391
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN392
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 748000.000000
! from proton shift 7.952000
! to proton shift 7.450000
! from heavyatom shift 118.493000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 392
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn leu and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN393
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 435000.000000
! from proton shift 7.219000
! to proton shift -0.073000
! from heavyatom shift 121.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 393
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN394
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1640000.000000
! from proton shift 8.709000
! to proton shift 2.255000
! from heavyatom shift 116.629000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 394
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 44 and resn gln and name hn) (resid 44 and resn GLN and name hb*)
!
! peak name 3dN395
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.152000
! to proton shift 2.052000
! from heavyatom shift 121.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 395
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 46 and resn leu and name hn) (resid 46 and resn LEU and name hb*)
or (resid 46 and resn leu and name hn) (resid 46 and resn leu and name hg)
!
! peak name 3dN396
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1140000.000000
! from proton shift 8.184000
! to proton shift 2.314000
! from heavyatom shift 119.308000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 396
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN397
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1890000.000000
! from proton shift 8.055000
! to proton shift 2.208000
! from heavyatom shift 118.945000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 397
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 52 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN398
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 987000.000000
! from proton shift 7.689000
! to proton shift 1.956000
! from heavyatom shift 118.244000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 398
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 33 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN399
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 221000.000000
! from proton shift 7.424000
! to proton shift -0.072000
! from heavyatom shift 108.537000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 399
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN4
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 8.780000
! to proton shift 4.367000
! from heavyatom shift 116.329000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 4
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN40
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 771000.000000
! from proton shift 8.004000
! to proton shift 7.682000
! from heavyatom shift 119.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 40
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hn) (resid 33 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN400
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 206000.000000
! from proton shift 8.028000
! to proton shift -0.072000
! from heavyatom shift 119.591000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 400
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN402
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 7.733000
! to proton shift 2.103000
! from heavyatom shift 123.095000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 402
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN403
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 462000.000000
! from proton shift 7.736000
! to proton shift 1.934000
! from heavyatom shift 123.087000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 403
! note degeneracy 37, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 27 and resn ile and name hn) (resid 26 and resn ARG and name hg*)
!
! peak name 3dN404
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 620000.000000
! from proton shift 7.733000
! to proton shift 1.778000
! from heavyatom shift 123.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 404
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dN405
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 202000.000000
! from proton shift 7.735000
! to proton shift 1.459000
! from heavyatom shift 123.071000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 405
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN406
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 199000.000000
! from proton shift 7.733000
! to proton shift 0.833000
! from heavyatom shift 123.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 406
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 25 and resn LYS and name hb*) 3.650000 1.850000 1.850000
or (resid 27 and resn ile and name hn) (resid 28 and resn LEU and name hd*)
!
! peak name 3dN407
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 451000.000000
! from proton shift 8.100000
! to proton shift 3.906000
! from heavyatom shift 123.029000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 407
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 77 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN408
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 143000.000000
! from proton shift 8.183000
! to proton shift 3.168000
! from heavyatom shift 122.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 408
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN41
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 992000.000000
! from proton shift 8.027000
! to proton shift 8.410000
! from heavyatom shift 119.770000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 41
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 31 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN410
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1830000.000000
! from proton shift 8.811000
! to proton shift 4.263000
! from heavyatom shift 127.740000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 410
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 3 and resn val and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN411
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 544000.000000
! from proton shift 8.810000
! to proton shift 0.974000
! from heavyatom shift 127.732000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 411
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN412
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1550000.000000
! from proton shift 8.543000
! to proton shift 4.180000
! from heavyatom shift 127.729000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 412
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 16 and resn ile and name hn) (resid 14 and resn ser and name ha) 3.400000 1.600000 1.600000
or (resid 16 and resn ile and name hn) (resid 15 and resn val and name ha)
or (resid 16 and resn ile and name hn) (resid 17 and resn GLY and name ha*)
!
! peak name 3dN413
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 140000.000000
! from proton shift 8.984000
! to proton shift 3.836000
! from heavyatom shift 125.534000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 413
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn asn and name hn) (resid 37 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN414
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 334000.000000
! from proton shift 8.064000
! to proton shift 4.031000
! from heavyatom shift 124.975000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 414
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 15 and resn val and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN415
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 339000.000000
! from proton shift 8.375000
! to proton shift 4.201000
! from heavyatom shift 124.229000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 415
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 23 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN416
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 326000.000000
! from proton shift 8.377000
! to proton shift 4.117000
! from heavyatom shift 124.206000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 416
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN417
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 191000.000000
! from proton shift 8.369000
! to proton shift 4.361000
! from heavyatom shift 124.242000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 417
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN418
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 749000.000000
! from proton shift 8.373000
! to proton shift 3.476000
! from heavyatom shift 124.214000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 418
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN419
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 738000.000000
! from proton shift 8.374000
! to proton shift 3.383000
! from heavyatom shift 124.213000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 419
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 24 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN420
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 8.371000
! to proton shift 1.914000
! from heavyatom shift 124.171000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 420
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000
or (resid 24 and resn tyr and name hn) (resid 26 and resn ARG and name hb*)
!
! peak name 3dN421
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 111000.000000
! from proton shift 8.374000
! to proton shift 2.116000
! from heavyatom shift 124.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 421
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 22 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN422
! bounds 5.000000 1.800000
! likelihood 0.930000
! intensity 198000.000000
! from proton shift 8.377000
! to proton shift 0.741000
! from heavyatom shift 124.177000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 422
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 24 and resn tyr and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 24 and resn tyr and name hn) (resid 20 and resn ile and name hd*)
!
! peak name 3dN423
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 282000.000000
! from proton shift 8.293000
! to proton shift 3.464000
! from heavyatom shift 124.063000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 423
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN424
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 144000.000000
! from proton shift 8.294000
! to proton shift 2.303000
! from heavyatom shift 124.122000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 424
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN425
! bounds 5.000000 1.800000
! likelihood 0.910000
! intensity 148000.000000
! from proton shift 8.290000
! to proton shift 2.130000
! from heavyatom shift 124.067000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 425
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 58 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN426
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 598000.000000
! from proton shift 8.290000
! to proton shift 1.855000
! from heavyatom shift 124.021000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 426
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN427
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 331000.000000
! from proton shift 8.291000
! to proton shift 1.683000
! from heavyatom shift 124.057000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 427
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN428
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 309000.000000
! from proton shift 8.291000
! to proton shift 0.927000
! from heavyatom shift 124.010000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 428
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 57 and resn tyr and name hn) (resid 54 and resn ile and name hg2#)
or (resid 57 and resn tyr and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN43
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 562000.000000
! from proton shift 8.105000
! to proton shift 8.338000
! from heavyatom shift 119.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 43
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 84 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN431
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 156000.000000
! from proton shift 8.097000
! to proton shift 1.235000
! from heavyatom shift 123.000000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 431
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 80 and resn ala and name hn) (resid 75 and resn thr and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN432
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 758000.000000
! from proton shift 7.863000
! to proton shift 2.253000
! from heavyatom shift 107.619000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 432
! note degeneracy 15, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 44 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN433
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 618000.000000
! from proton shift 7.861000
! to proton shift 2.059000
! from heavyatom shift 107.620000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 433
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 45 and resn gly and name hn) (resid 44 and resn GLN and name hg*)
or (resid 45 and resn gly and name hn) (resid 46 and resn LEU and name hb*)
!
! peak name 3dN434
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 7.862000
! to proton shift 1.877000
! from heavyatom shift 107.618000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 434
! note degeneracy 31, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN435
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 183000.000000
! from proton shift 7.859000
! to proton shift 2.659000
! from heavyatom shift 107.598000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 435
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 44 and resn GLN and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN437
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 402000.000000
! from proton shift 7.425000
! to proton shift 0.845000
! from heavyatom shift 108.546000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 437
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 5 and resn thr and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN439
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 939000.000000
! from proton shift 7.829000
! to proton shift 2.121000
! from heavyatom shift 112.535000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 439
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 60 and resn ser and name hn) (resid 59 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN44
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 895000.000000
! from proton shift 8.107000
! to proton shift 7.791000
! from heavyatom shift 119.666000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 44
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 82 and resn gly and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN440
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 162000.000000
! from proton shift 8.231000
! to proton shift 2.395000
! from heavyatom shift 112.873000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 440
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN441
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 133000.000000
! from proton shift 8.224000
! to proton shift 1.152000
! from heavyatom shift 112.896000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 441
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN442
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 970000.000000
! from proton shift 6.991000
! to proton shift 4.023000
! from heavyatom shift 113.427000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 442
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN443
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 274000.000000
! from proton shift 6.992000
! to proton shift 1.249000
! from heavyatom shift 113.456000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 443
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 13 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dN444
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 337000.000000
! from proton shift 8.757000
! to proton shift 0.901000
! from heavyatom shift 114.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 444
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 17 and resn gly and name hn) (resid 16 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN445
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 197000.000000
! from proton shift 8.513000
! to proton shift 3.396000
! from heavyatom shift 114.795000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 445
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 6 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN45
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 794000.000000
! from proton shift 8.028000
! to proton shift 7.203000
! from heavyatom shift 119.599000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 45
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 9 and resn leu and name hn) (resid 8 and resn val and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN451
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 747000.000000
! from proton shift 8.455000
! to proton shift 1.600000
! from heavyatom shift 115.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 451
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 10 and resn LYS and name hd*) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name hn) (resid 12 and resn ARG and name hb*)
!
! peak name 3dN453
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 658000.000000
! from proton shift 7.357000
! to proton shift 1.848000
! from heavyatom shift 115.833000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 453
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hn) (resid 67 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN455
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 205000.000000
! from proton shift 7.343000
! to proton shift 1.154000
! from heavyatom shift 115.687000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 455
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 67 and resn leu and name hn) (resid 67 and resn leu and name hg)
!
! peak name 3dN456
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 168000.000000
! from proton shift 7.353000
! to proton shift 1.004000
! from heavyatom shift 115.809000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 456
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 67 and resn leu and name hn) (resid 66 and resn ARG and name hb*) 3.650000 1.850000 1.850000
or (resid 67 and resn leu and name hn) (resid 67 and resn LEU and name hd*)
!
! peak name 3dN457
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1540000.000000
! from proton shift 8.778000
! to proton shift 1.730000
! from heavyatom shift 116.336000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 457
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN458
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 328000.000000
! from proton shift 8.779000
! to proton shift 1.562000
! from heavyatom shift 116.340000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 458
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 40 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 41 and resn asp and name hn) (resid 40 and resn leu and name hg)
!
! peak name 3dN46
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 8.898000
! to proton shift 7.583000
! from heavyatom shift 120.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 46
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN460
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 197000.000000
! from proton shift 7.827000
! to proton shift 1.916000
! from heavyatom shift 116.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 460
! note degeneracy 70, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
or (resid 64 and resn ser and name hn) (resid 65 and resn GLU and name hb*)
!
! peak name 3dN461
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 184000.000000
! from proton shift 7.818000
! to proton shift 1.160000
! from heavyatom shift 116.479000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 461
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 67 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN462
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 243000.000000
! from proton shift 7.822000
! to proton shift 4.566000
! from heavyatom shift 116.470000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 462
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 64 and resn ser and name hn) (resid 63 and resn ser and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN463
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 503000.000000
! from proton shift 7.753000
! to proton shift 4.048000
! from heavyatom shift 116.670000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 463
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 33 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN465
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 330000.000000
! from proton shift 7.455000
! to proton shift 1.956000
! from heavyatom shift 116.851000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 465
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 52 and resn glu and name hn) (resid 51 and resn MET and name hg*)
!
! peak name 3dN467
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1370000.000000
! from proton shift 8.710000
! to proton shift 2.060000
! from heavyatom shift 116.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 467
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 44 and resn gln and name hn) (resid 43 and resn ARG and name hb*)
or (resid 44 and resn gln and name hn) (resid 44 and resn GLN and name hg*)
or (resid 44 and resn gln and name hn) (resid 46 and resn LEU and name hb*)
!
! peak name 3dN468
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.709000
! to proton shift 1.875000
! from heavyatom shift 116.634000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 468
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN47
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 298000.000000
! from proton shift 8.901000
! to proton shift 8.017000
! from heavyatom shift 120.053000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 47
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 71 and resn arg and name hn) (resid 70 and resn phe and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN470
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 226000.000000
! from proton shift 8.710000
! to proton shift 0.893000
! from heavyatom shift 116.613000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 470
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 40 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN471
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 983000.000000
! from proton shift 8.710000
! to proton shift 2.669000
! from heavyatom shift 116.642000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 471
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 44 and resn GLN and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN472
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 270000.000000
! from proton shift 8.708000
! to proton shift 3.795000
! from heavyatom shift 116.663000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 472
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN473
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 312000.000000
! from proton shift 8.709000
! to proton shift 4.366000
! from heavyatom shift 116.649000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 473
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 41 and resn asp and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN474
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 422000.000000
! from proton shift 8.076000
! to proton shift 4.248000
! from heavyatom shift 116.400000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 474
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 65 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN475
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 459000.000000
! from proton shift 8.077000
! to proton shift 3.936000
! from heavyatom shift 116.413000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 475
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 67 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN476
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 177000.000000
! from proton shift 8.081000
! to proton shift 2.458000
! from heavyatom shift 116.459000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 476
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 65 and resn GLU and name hg*) 3.400000 1.600000 1.600000
or (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hd*)
!
! peak name 3dN477
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 396000.000000
! from proton shift 8.078000
! to proton shift 1.209000
! from heavyatom shift 116.353000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 477
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN478
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 394000.000000
! from proton shift 8.077000
! to proton shift 1.000000
! from heavyatom shift 116.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 478
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hb*) 3.650000 1.850000 1.850000
or (resid 66 and resn arg and name hn) (resid 67 and resn LEU and name hd*)
!
! peak name 3dN479
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 354000.000000
! from proton shift 8.080000
! to proton shift 0.890000
! from heavyatom shift 116.423000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 479
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN48
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 773000.000000
! from proton shift 8.514000
! to proton shift 8.690000
! from heavyatom shift 121.272000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 48
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 44 and resn gln and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN480
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 275000.000000
! from proton shift 8.075000
! to proton shift 1.633000
! from heavyatom shift 116.442000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 480
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 66 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN481
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 193000.000000
! from proton shift 8.388000
! to proton shift 1.847000
! from heavyatom shift 116.533000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 481
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN482
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 159000.000000
! from proton shift 7.456000
! to proton shift 0.918000
! from heavyatom shift 116.928000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 482
! note degeneracy 23, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 52 and resn glu and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN484
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 555000.000000
! from proton shift 8.061000
! to proton shift 1.598000
! from heavyatom shift 117.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 484
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hd*)
or (resid 79 and resn lys and name hn) (resid 79 and resn LYS and name hg*)
!
! peak name 3dN485
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 271000.000000
! from proton shift 8.034000
! to proton shift 3.865000
! from heavyatom shift 117.829000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 485
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 14 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN486
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 424000.000000
! from proton shift 7.687000
! to proton shift 1.737000
! from heavyatom shift 118.266000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 486
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 33 and resn ARG and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN487
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 137000.000000
! from proton shift 7.684000
! to proton shift 1.512000
! from heavyatom shift 118.306000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 487
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 29 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dN489
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 836000.000000
! from proton shift 7.691000
! to proton shift 2.249000
! from heavyatom shift 118.224000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 489
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN49
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 176000.000000
! from proton shift 8.511000
! to proton shift 7.842000
! from heavyatom shift 121.197000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 49
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN490
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 307000.000000
! from proton shift 8.333000
! to proton shift 1.854000
! from heavyatom shift 118.360000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 490
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 68 and resn asn and name hn) (resid 67 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN492
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1120000.000000
! from proton shift 8.058000
! to proton shift 3.437000
! from heavyatom shift 118.322000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 492
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN493
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 832000.000000
! from proton shift 8.059000
! to proton shift 3.315000
! from heavyatom shift 118.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 493
! note degeneracy 21, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN494
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 386000.000000
! from proton shift 8.057000
! to proton shift 3.944000
! from heavyatom shift 118.327000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 494
! note degeneracy 57, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN495
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 364000.000000
! from proton shift 8.054000
! to proton shift 4.067000
! from heavyatom shift 118.369000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 495
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 46 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN496
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 809000.000000
! from proton shift 8.059000
! to proton shift 4.185000
! from heavyatom shift 118.414000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 496
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 48 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN497
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 363000.000000
! from proton shift 8.054000
! to proton shift 2.455000
! from heavyatom shift 118.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 497
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN498
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 262000.000000
! from proton shift 8.057000
! to proton shift 0.405000
! from heavyatom shift 118.341000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 498
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 81 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN499
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1080000.000000
! from proton shift 6.951000
! to proton shift 2.274000
! from heavyatom shift 120.404000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 499
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN5
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 7.842000
! to proton shift 4.339000
! from heavyatom shift 121.544000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 5
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 39 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN50
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 7.592000
! to proton shift 8.885000
! from heavyatom shift 121.845000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 50
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 71 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN500
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1310000.000000
! from proton shift 6.951000
! to proton shift 2.068000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 500
! note degeneracy 29, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 42 and resn glu and name hn) (resid 43 and resn ARG and name hb*)
or (resid 42 and resn glu and name hn) (resid 44 and resn GLN and name hg*)
!
! peak name 3dN501
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 530000.000000
! from proton shift 6.951000
! to proton shift 1.880000
! from heavyatom shift 120.394000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 501
! note degeneracy 31, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN502
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 667000.000000
! from proton shift 6.951000
! to proton shift 4.128000
! from heavyatom shift 120.406000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 502
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 42 and resn glu and name hn) (resid 42 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN503
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1790000.000000
! from proton shift 8.513000
! to proton shift 2.063000
! from heavyatom shift 121.231000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 503
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 43 and resn arg and name hn) (resid 43 and resn ARG and name hb*)
or (resid 43 and resn arg and name hn) (resid 44 and resn GLN and name hg*)
or (resid 43 and resn arg and name hn) (resid 46 and resn LEU and name hb*)
!
! peak name 3dN504
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 796000.000000
! from proton shift 8.514000
! to proton shift 2.268000
! from heavyatom shift 121.288000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 504
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 42 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 43 and resn arg and name hn) (resid 44 and resn GLN and name hb*)
!
! peak name 3dN505
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1340000.000000
! from proton shift 8.512000
! to proton shift 1.867000
! from heavyatom shift 121.286000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 505
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN506
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 662000.000000
! from proton shift 8.497000
! to proton shift 1.685000
! from heavyatom shift 121.849000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 506
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 20 and resn ile and name hn) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dN509
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 373000.000000
! from proton shift 8.516000
! to proton shift 3.958000
! from heavyatom shift 121.291000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 509
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN51
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 801000.000000
! from proton shift 7.219000
! to proton shift 8.030000
! from heavyatom shift 121.784000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 51
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN510
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 280000.000000
! from proton shift 8.515000
! to proton shift 4.121000
! from heavyatom shift 121.449000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 510
! note degeneracy 54, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 42 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN512
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 131000.000000
! from proton shift 7.172000
! to proton shift 0.860000
! from heavyatom shift 120.027000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 512
! note degeneracy 19, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 11 and resn ala and name hn) (resid 28 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN513
! bounds 5.000000 1.800000
! likelihood 0.920000
! intensity 178000.000000
! from proton shift 7.719000
! to proton shift 0.768000
! from heavyatom shift 121.219000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 513
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN514
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 145000.000000
! from proton shift 7.715000
! to proton shift 1.061000
! from heavyatom shift 121.265000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 514
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 73 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN515
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 281000.000000
! from proton shift 7.720000
! to proton shift 3.537000
! from heavyatom shift 121.212000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 515
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN517
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 388000.000000
! from proton shift 7.595000
! to proton shift 4.480000
! from heavyatom shift 121.853000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 517
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 69 and resn ala and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN518
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1820000.000000
! from proton shift 8.279000
! to proton shift 1.875000
! from heavyatom shift 121.701000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 518
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hb) 3.400000 1.600000 1.600000
or (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hb)
!
! peak name 3dN519
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1020000.000000
! from proton shift 8.287000
! to proton shift 1.743000
! from heavyatom shift 121.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 519
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg11) 3.400000 1.600000 1.600000
or (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hg11)
!
! peak name 3dN52
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 361000.000000
! from proton shift 8.982000
! to proton shift 7.836000
! from heavyatom shift 125.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 52
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 38 and resn asn and name hn) (resid 39 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN520
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 358000.000000
! from proton shift 8.287000
! to proton shift 1.440000
! from heavyatom shift 121.635000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 520
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 53 and resn LEU and name hb*)
!
! peak name 3dN521
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 828000.000000
! from proton shift 8.279000
! to proton shift 0.941000
! from heavyatom shift 121.692000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 521
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hg2#) 3.650000 1.850000 1.850000
or (resid 54 and resn ile and name hn) (resid 56 and resn LEU and name hd*)
or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hg2#)
or (resid 55 and resn asp and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN522
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 570000.000000
! from proton shift 8.286000
! to proton shift 0.689000
! from heavyatom shift 121.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 522
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 55 and resn asp and name hn) (resid 54 and resn ile and name hd*)
!
! peak name 3dN523
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 737000.000000
! from proton shift 8.266000
! to proton shift 2.650000
! from heavyatom shift 121.808000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 523
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
or (resid 54 and resn ile and name hn) (resid 55 and resn ASP and name hb*)
or (resid 55 and resn asp and name hn) (resid 55 and resn ASP and name hb*)
!
! peak name 3dN524
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 327000.000000
! from proton shift 8.282000
! to proton shift 3.669000
! from heavyatom shift 121.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 524
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 51 and resn met and name ha) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 51 and resn met and name ha)
!
! peak name 3dN525
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 844000.000000
! from proton shift 8.269000
! to proton shift 4.142000
! from heavyatom shift 121.775000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 525
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name hn) (resid 56 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN526
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 737000.000000
! from proton shift 8.437000
! to proton shift 3.937000
! from heavyatom shift 118.636000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 526
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name hn) (resid 47 and resn met and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN527
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 653000.000000
! from proton shift 8.441000
! to proton shift 3.117000
! from heavyatom shift 118.611000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 527
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name hn) (resid 47 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN528
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1060000.000000
! from proton shift 8.425000
! to proton shift 2.332000
! from heavyatom shift 118.692000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 528
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN529
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 641000.000000
! from proton shift 8.431000
! to proton shift 1.201000
! from heavyatom shift 118.647000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 529
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 47 and resn met and name hn) (resid 46 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 78 and resn glu and name hn) (resid 77 and resn LEU and name hb*)
!
! peak name 3dN53
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 523000.000000
! from proton shift 8.293000
! to proton shift 8.659000
! from heavyatom shift 124.047000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 53
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 58 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN530
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1690000.000000
! from proton shift 7.965000
! to proton shift 2.073000
! from heavyatom shift 118.565000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 530
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN531
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2300000.000000
! from proton shift 7.971000
! to proton shift 1.936000
! from heavyatom shift 118.601000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 531
! note degeneracy 74, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hg*)
or (resid 53 and resn leu and name hn) (resid 50 and resn LEU and name hb*)
!
! peak name 3dN532
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 7.954000
! to proton shift 1.439000
! from heavyatom shift 118.527000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 532
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn leu and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN533
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 565000.000000
! from proton shift 7.953000
! to proton shift 0.914000
! from heavyatom shift 118.489000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 533
! note degeneracy 42, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 53 and resn leu and name hn) (resid 53 and resn LEU and name hd*)
or (resid 53 and resn leu and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN534
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 7.955000
! to proton shift 0.820000
! from heavyatom shift 118.519000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 534
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 25 and resn LYS and name hb*) 3.650000 1.850000 1.850000
or (resid 53 and resn leu and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN535
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 528000.000000
! from proton shift 8.695000
! to proton shift 4.213000
! from heavyatom shift 119.228000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 535
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name hn) (resid 21 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN536
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.669000
! to proton shift 2.306000
! from heavyatom shift 119.609000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 536
! note degeneracy 76, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 58 and resn GLU and name hb*) 3.400000 1.600000 1.600000
or (resid 58 and resn glu and name hn) (resid 59 and resn GLU and name hb*)
!
! peak name 3dN537
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 926000.000000
! from proton shift 8.690000
! to proton shift 2.125000
! from heavyatom shift 119.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 537
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name hn) (resid 22 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN538
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.642000
! to proton shift 1.407000
! from heavyatom shift 120.259000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 538
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 11 and resn ala and name hb#) 3.650000 1.850000 1.850000
or (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hb*)
or (resid 13 and resn ala and name hn) (resid 11 and resn ala and name hb#)
or (resid 13 and resn ala and name hn) (resid 12 and resn ARG and name hb*)
or (resid 13 and resn ala and name hn) (resid 12 and resn ARG and name hg*)
!
! peak name 3dN539
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 443000.000000
! from proton shift 8.634000
! to proton shift 0.897000
! from heavyatom shift 120.313000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 539
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 50 and resn leu and name hn) (resid 50 and resn leu and name hg)
!
! peak name 3dN54
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 135000.000000
! from proton shift 8.288000
! to proton shift 7.754000
! from heavyatom shift 124.011000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 54
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 57 and resn tyr and name hn) (resid 59 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN540
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 381000.000000
! from proton shift 8.649000
! to proton shift 1.606000
! from heavyatom shift 120.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 540
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 12 and resn ARG and name hb*) 3.650000 1.850000 1.850000
or (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hd*)
!
! peak name 3dN541
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1390000.000000
! from proton shift 8.634000
! to proton shift 1.969000
! from heavyatom shift 120.303000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 541
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN542
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 547000.000000
! from proton shift 8.634000
! to proton shift 2.318000
! from heavyatom shift 120.348000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 542
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 49 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN543
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 266000.000000
! from proton shift 8.634000
! to proton shift 2.675000
! from heavyatom shift 120.309000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 543
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 50 and resn leu and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN544
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1110000.000000
! from proton shift 8.633000
! to proton shift 4.090000
! from heavyatom shift 120.314000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 544
! note degeneracy 90, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 13 and resn ala and name hn) (resid 11 and resn ala and name ha) 3.400000 1.600000 1.600000
or (resid 13 and resn ala and name hn) (resid 12 and resn arg and name ha)
or (resid 50 and resn leu and name hn) (resid 46 and resn leu and name ha)
!
! peak name 3dN545
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 984000.000000
! from proton shift 8.513000
! to proton shift 1.924000
! from heavyatom shift 120.145000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 545
! note degeneracy 37, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 25 and resn LYS and name hb*) 3.400000 1.600000 1.600000
or (resid 25 and resn lys and name hn) (resid 26 and resn ARG and name hb*)
!
! peak name 3dN546
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 504000.000000
! from proton shift 8.517000
! to proton shift 1.543000
! from heavyatom shift 120.147000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 546
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 25 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN547
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 390000.000000
! from proton shift 8.518000
! to proton shift 0.749000
! from heavyatom shift 120.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 547
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 20 and resn ile and name hd*) 3.650000 1.850000 1.850000
or (resid 25 and resn lys and name hn) (resid 20 and resn ile and name hd*)
!
! peak name 3dN548
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 166000.000000
! from proton shift 8.513000
! to proton shift 1.268000
! from heavyatom shift 120.059000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 548
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 25 and resn LYS and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN549
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 231000.000000
! from proton shift 8.517000
! to proton shift 4.003000
! from heavyatom shift 120.158000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 549
! note degeneracy 22, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 25 and resn lys and name hn) (resid 24 and resn TYR and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN55
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 587000.000000
! from proton shift 7.733000
! to proton shift 8.319000
! from heavyatom shift 123.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 55
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 28 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN550
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.328000
! to proton shift 1.766000
! from heavyatom shift 120.157000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 550
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 27 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dN551
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 606000.000000
! from proton shift 8.326000
! to proton shift 2.112000
! from heavyatom shift 120.191000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 551
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 27 and resn ile and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN552
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 326000.000000
! from proton shift 8.326000
! to proton shift 3.651000
! from heavyatom shift 120.088000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 552
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN553
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2380000.000000
! from proton shift 7.990000
! to proton shift 3.990000
! from heavyatom shift 120.776000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 553
! note degeneracy 25, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hn) (resid 2 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN554
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1170000.000000
! from proton shift 7.990000
! to proton shift 1.825000
! from heavyatom shift 120.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 554
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hn) (resid 3 and resn val and name hb) 3.400000 1.600000 1.600000
!
! peak name 3dN555
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 255000.000000
! from proton shift 7.990000
! to proton shift 0.970000
! from heavyatom shift 120.739000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 555
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 3 and resn val and name hn) (resid 3 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN556
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 8.069000
! to proton shift 1.201000
! from heavyatom shift 120.673000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 556
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 77 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN558
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1330000.000000
! from proton shift 8.151000
! to proton shift 1.890000
! from heavyatom shift 121.831000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 558
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN559
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 599000.000000
! from proton shift 8.151000
! to proton shift 0.919000
! from heavyatom shift 121.860000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 559
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN56
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 651000.000000
! from proton shift 7.734000
! to proton shift 7.971000
! from heavyatom shift 123.106000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 56
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 27 and resn ile and name hn) (resid 26 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN560
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 616000.000000
! from proton shift 8.151000
! to proton shift 0.786000
! from heavyatom shift 121.874000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 560
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN561
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 253000.000000
! from proton shift 8.152000
! to proton shift 3.805000
! from heavyatom shift 121.884000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 561
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 43 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN562
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 564000.000000
! from proton shift 8.150000
! to proton shift 3.981000
! from heavyatom shift 121.886000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 562
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 44 and resn gln and name ha) 3.400000 1.600000 1.600000
or (resid 46 and resn leu and name hn) (resid 45 and resn GLY and name ha*)
!
! peak name 3dN563
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 8.152000
! to proton shift 4.114000
! from heavyatom shift 121.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 563
! note degeneracy 26, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 45 and resn GLY and name ha*) 3.400000 1.600000 1.600000
!
! peak name 3dN564
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 574000.000000
! from proton shift 7.842000
! to proton shift 1.600000
! from heavyatom shift 121.563000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 564
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 39 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN565
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 291000.000000
! from proton shift 7.838000
! to proton shift 2.051000
! from heavyatom shift 121.541000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 565
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 39 and resn ile and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN567
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 604000.000000
! from proton shift 8.442000
! to proton shift 1.762000
! from heavyatom shift 118.621000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 567
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 47 and resn met and name hn) (resid 47 and resn MET and name hg*)
!
! peak name 3dN568
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1010000.000000
! from proton shift 8.429000
! to proton shift 1.938000
! from heavyatom shift 118.655000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 568
! note degeneracy 74, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 78 and resn glu and name hn) (resid 51 and resn MET and name hg*) 3.400000 1.600000 1.600000
or (resid 78 and resn glu and name hn) (resid 78 and resn GLU and name hb*)
or (resid 47 and resn met and name hn) (resid 50 and resn LEU and name hb*)
!
! peak name 3dN569
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 683000.000000
! from proton shift 8.054000
! to proton shift 2.661000
! from heavyatom shift 118.944000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 569
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 51 and resn MET and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN57
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 661000.000000
! from proton shift 8.180000
! to proton shift 8.005000
! from heavyatom shift 122.765000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 57
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 69 and resn ala and name hn) (resid 70 and resn phe and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN571
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 491000.000000
! from proton shift 8.050000
! to proton shift 1.941000
! from heavyatom shift 118.865000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 571
! note degeneracy 111, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 51 and resn met and name hn) (resid 51 and resn MET and name hg*)
!
! peak name 3dN572
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 355000.000000
! from proton shift 8.061000
! to proton shift 1.442000
! from heavyatom shift 119.076000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 572
! note degeneracy 92, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 53 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 51 and resn met and name hn) (resid 77 and resn LEU and name hd*)
!
! peak name 3dN573
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 460000.000000
! from proton shift 8.054000
! to proton shift 0.784000
! from heavyatom shift 118.904000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 573
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 51 and resn met and name hn) (resid 77 and resn leu and name hg)
!
! peak name 3dN575
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 292000.000000
! from proton shift 8.306000
! to proton shift 1.567000
! from heavyatom shift 118.992000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 575
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN576
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 514000.000000
! from proton shift 8.304000
! to proton shift 4.159000
! from heavyatom shift 119.006000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 576
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 32 and resn gln and name hn) (resid 29 and resn ala and name ha) 3.400000 1.600000 1.600000
or (resid 32 and resn gln and name hn) (resid 31 and resn leu and name ha)
!
! peak name 3dN578
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 187000.000000
! from proton shift 8.178000
! to proton shift 0.903000
! from heavyatom shift 119.343000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 578
! note degeneracy 40, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 46 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN579
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 403000.000000
! from proton shift 8.183000
! to proton shift 3.316000
! from heavyatom shift 119.307000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 579
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN58
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 591000.000000
! from proton shift 8.152000
! to proton shift 8.425000
! from heavyatom shift 121.893000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 58
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 47 and resn met and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN580
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 484000.000000
! from proton shift 8.185000
! to proton shift 3.438000
! from heavyatom shift 119.330000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 580
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 48 and resn HIS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN581
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 592000.000000
! from proton shift 8.421000
! to proton shift 1.910000
! from heavyatom shift 119.460000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 581
! note degeneracy 70, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 32 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN582
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1070000.000000
! from proton shift 8.416000
! to proton shift 1.560000
! from heavyatom shift 119.500000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 582
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 31 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN583
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 373000.000000
! from proton shift 8.415000
! to proton shift 1.097000
! from heavyatom shift 119.532000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 583
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 31 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 31 and resn leu and name hn) (resid 50 and resn LEU and name hd*)
!
! peak name 3dN584
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 323000.000000
! from proton shift 8.417000
! to proton shift 3.822000
! from heavyatom shift 119.523000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 584
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 31 and resn leu and name hn) (resid 28 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN585
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2520000.000000
! from proton shift 8.104000
! to proton shift 1.531000
! from heavyatom shift 119.680000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 585
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 83 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN586
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 444000.000000
! from proton shift 8.101000
! to proton shift 1.760000
! from heavyatom shift 119.651000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 586
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 81 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 83 and resn leu and name hn) (resid 84 and resn GLU and name hb*)
!
! peak name 3dN588
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 511000.000000
! from proton shift 8.102000
! to proton shift 4.066000
! from heavyatom shift 119.691000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 588
! note degeneracy 87, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 83 and resn leu and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 83 and resn leu and name hn) (resid 82 and resn GLY and name ha*)
!
! peak name 3dN589
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2050000.000000
! from proton shift 8.015000
! to proton shift 1.948000
! from heavyatom shift 119.878000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 589
! note degeneracy 144, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 33, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000
or (resid 34 and resn ile and name hn) (resid 33 and resn ARG and name hg*)
or (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hg12)
or (resid 61 and resn gln and name hn) (resid 61 and resn GLN and name hb*)
or (resid 61 and resn gln and name hn) (resid 61 and resn GLN and name hg*)
or (resid 61 and resn gln and name hn) (resid 62 and resn PRO and name hb*)
!
! peak name 3dN59
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 618000.000000
! from proton shift 8.150000
! to proton shift 7.859000
! from heavyatom shift 121.868000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 59
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN590
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 2060000.000000
! from proton shift 8.005000
! to proton shift 2.069000
! from heavyatom shift 119.939000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 590
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 27, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 26 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 30 and resn lys and name hn) (resid 31 and resn LEU and name hb*)
or (resid 34 and resn ile and name hn) (resid 31 and resn LEU and name hb*)
or (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hb)
!
! peak name 3dN591
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 690000.000000
! from proton shift 8.007000
! to proton shift 0.895000
! from heavyatom shift 119.875000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 591
! note degeneracy 63, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN592
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 830000.000000
! from proton shift 8.004000
! to proton shift 0.782000
! from heavyatom shift 119.929000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 592
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 34 and resn ile and name hn) (resid 34 and resn ile and name hg11) 3.650000 1.850000 1.850000
or (resid 34 and resn ile and name hn) (resid 46 and resn LEU and name hd*)
!
! peak name 3dN593
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1210000.000000
! from proton shift 8.025000
! to proton shift 4.092000
! from heavyatom shift 119.836000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 593
! note degeneracy 120, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 26 and resn arg and name ha) 3.400000 1.600000 1.600000
or (resid 30 and resn lys and name hn) (resid 30 and resn lys and name ha)
!
! peak name 3dN595
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 469000.000000
! from proton shift 8.066000
! to proton shift 2.460000
! from heavyatom shift 120.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 595
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 76 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN596
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 991000.000000
! from proton shift 8.069000
! to proton shift 2.145000
! from heavyatom shift 120.681000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 596
! note degeneracy 104, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 76 and resn GLN and name hg*) 3.400000 1.600000 1.600000
or (resid 77 and resn leu and name hn) (resid 77 and resn LEU and name hb*)
!
! peak name 3dN598
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 566000.000000
! from proton shift 8.257000
! to proton shift 2.938000
! from heavyatom shift 120.365000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 598
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 55 and resn ASP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN599
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.256000
! to proton shift 4.154000
! from heavyatom shift 120.396000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 599
! note degeneracy 56, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 56 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN6
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 345000.000000
! from proton shift 8.778000
! to proton shift 3.942000
! from heavyatom shift 116.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 6
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 41 and resn asp and name hn) (resid 40 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN60
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 659000.000000
! from proton shift 7.594000
! to proton shift 7.884000
! from heavyatom shift 121.848000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 60
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 72 and resn glu and name hn) (resid 75 and resn thr and name hn)
!
! peak name 3dN600
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 381000.000000
! from proton shift 8.254000
! to proton shift 2.656000
! from heavyatom shift 120.444000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 600
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 55 and resn ASP and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN601
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1770000.000000
! from proton shift 8.255000
! to proton shift 1.844000
! from heavyatom shift 120.383000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 601
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN602
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 718000.000000
! from proton shift 8.256000
! to proton shift 1.681000
! from heavyatom shift 120.373000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 602
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 56 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN603
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 606000.000000
! from proton shift 8.255000
! to proton shift 0.922000
! from heavyatom shift 120.366000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 603
! note degeneracy 46, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 56 and resn leu and name hn) (resid 53 and resn LEU and name hd*) 3.650000 1.850000 1.850000
or (resid 56 and resn leu and name hn) (resid 54 and resn ile and name hg2#)
or (resid 56 and resn leu and name hn) (resid 56 and resn LEU and name hd*)
!
! peak name 3dN604
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 762000.000000
! from proton shift 7.887000
! to proton shift 1.961000
! from heavyatom shift 121.270000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 604
! note degeneracy 66, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 71 and resn ARG and name hb*) 3.400000 1.600000 1.600000
or (resid 73 and resn leu and name hn) (resid 72 and resn GLU and name hg*)
!
! peak name 3dN605
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 784000.000000
! from proton shift 7.886000
! to proton shift 1.495000
! from heavyatom shift 121.247000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 605
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hb*) 3.650000 1.850000 1.850000
or (resid 73 and resn leu and name hn) (resid 73 and resn LEU and name hd*)
!
! peak name 3dN606
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 499000.000000
! from proton shift 7.886000
! to proton shift 3.538000
! from heavyatom shift 121.241000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 606
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 73 and resn leu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN607
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 293000.000000
! from proton shift 7.884000
! to proton shift 4.011000
! from heavyatom shift 121.257000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 607
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 72 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN608
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 208000.000000
! from proton shift 7.973000
! to proton shift 4.350000
! from heavyatom shift 118.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 608
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 23 and resn SER and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN609
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 634000.000000
! from proton shift 7.219000
! to proton shift 8.490000
! from heavyatom shift 121.765000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 609
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 7 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN610
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 189000.000000
! from proton shift 8.270000
! to proton shift 3.278000
! from heavyatom shift 121.745000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 610
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 57 and resn TYR and name hb*)
or (resid 55 and resn asp and name hn) (resid 74 and resn ARG and name hd*)
!
! peak name 3dN611
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 449000.000000
! from proton shift 8.288000
! to proton shift 2.050000
! from heavyatom shift 121.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 611
! note degeneracy 52, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 55 and resn asp and name hn) (resid 53 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 54 and resn ile and name hn) (resid 53 and resn LEU and name hb*)
!
! peak name 3dN612
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 188000.000000
! from proton shift 8.224000
! to proton shift 3.531000
! from heavyatom shift 112.880000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 612
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 63 and resn ser and name hn) (resid 62 and resn PRO and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN614
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 428000.000000
! from proton shift 8.670000
! to proton shift 3.294000
! from heavyatom shift 119.602000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 614
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN615
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 302000.000000
! from proton shift 8.668000
! to proton shift 3.112000
! from heavyatom shift 119.605000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 615
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN617
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 368000.000000
! from proton shift 8.539000
! to proton shift 0.695000
! from heavyatom shift 119.333000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 617
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN618
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 194000.000000
! from proton shift 7.216000
! to proton shift 0.962000
! from heavyatom shift 121.811000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 618
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 8 and resn val and name hn) (resid 8 and resn VAL and name hg*) 3.650000 1.850000 1.850000
!
! peak name 3dN62
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 163000.000000
! from proton shift 8.281000
! to proton shift 7.445000
! from heavyatom shift 121.668000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 62
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 52 and resn glu and name hn)
!
! peak name 3dN622
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 304000.000000
! from proton shift 8.669000
! to proton shift 4.070000
! from heavyatom shift 119.600000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 622
! note degeneracy 116, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 57 and resn tyr and name ha) 3.400000 1.600000 1.600000
or (resid 58 and resn glu and name hn) (resid 59 and resn glu and name ha)
or (resid 58 and resn glu and name hn) (resid 60 and resn SER and name hb*)
!
! peak name 3dN623
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 637000.000000
! from proton shift 8.035000
! to proton shift 1.596000
! from heavyatom shift 117.791000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 623
! note degeneracy 69, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 12 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN624
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 211000.000000
! from proton shift 7.974000
! to proton shift 3.259000
! from heavyatom shift 118.628000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 624
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 26 and resn ARG and name hd*) 3.400000 1.600000 1.600000
!
! peak name 3dN625
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 132000.000000
! from proton shift 7.968000
! to proton shift 3.445000
! from heavyatom shift 118.554000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 625
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 27 and resn ile and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN627
! bounds 5.000000 1.800000
! likelihood 0.990000
! intensity 202000.000000
! from proton shift 8.271000
! to proton shift 3.124000
! from heavyatom shift 121.782000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 627
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 54 and resn ile and name hn) (resid 57 and resn TYR and name hb*) 3.400000 1.600000 1.600000
or (resid 55 and resn asp and name hn) (resid 57 and resn TYR and name hb*)
!
! peak name 3dN628
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 169000.000000
! from proton shift 8.148000
! to proton shift 2.263000
! from heavyatom shift 121.815000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 628
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 46 and resn leu and name hn) (resid 44 and resn GLN and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN629
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 138000.000000
! from proton shift 7.594000
! to proton shift 3.169000
! from heavyatom shift 121.803000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 629
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 72 and resn glu and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000
or (resid 72 and resn glu and name hn) (resid 71 and resn ARG and name hd*)
!
! peak name 3dN63
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1120000.000000
! from proton shift 8.513000
! to proton shift 6.948000
! from heavyatom shift 121.236000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 63
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 43 and resn arg and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN630
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 726000.000000
! from proton shift 8.184000
! to proton shift 1.954000
! from heavyatom shift 119.326000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 630
! note degeneracy 34, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 49 and resn glu and name hn) (resid 50 and resn LEU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN631
! bounds 5.000000 1.800000
! likelihood 0.940000
! intensity 179000.000000
! from proton shift 7.396000
! to proton shift 2.059000
! from heavyatom shift 115.325000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 631
! note degeneracy 81, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 43 and resn ARG and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN632
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 128000.000000
! from proton shift 7.389000
! to proton shift 4.251000
! from heavyatom shift 115.367000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 632
! note degeneracy 48, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 37 and resn ser and name hn) (resid 35 and resn his and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN633
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 7.945000
! to proton shift 3.669000
! from heavyatom shift 116.686000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 633
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 78 and resn glu and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN634
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 468000.000000
! from proton shift 7.950000
! to proton shift 4.082000
! from heavyatom shift 116.682000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 634
! note degeneracy 58, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 81 and resn leu and name hn) (resid 79 and resn lys and name ha) 3.400000 1.600000 1.600000
or (resid 81 and resn leu and name hn) (resid 82 and resn GLY and name ha*)
!
! peak name 3dN636
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 496000.000000
! from proton shift 8.344000
! to proton shift 0.851000
! from heavyatom shift 120.544000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 636
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 83 and resn LEU and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN637
! bounds 5.000000 1.800000
! likelihood 0.950000
! intensity 160000.000000
! from proton shift 8.323000
! to proton shift 0.692000
! from heavyatom shift 120.098000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 637
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 28 and resn leu and name hn) (resid 54 and resn ile and name hd*) 3.650000 1.850000 1.850000
!
! peak name 3dN638
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 324000.000000
! from proton shift 8.067000
! to proton shift 3.697000
! from heavyatom shift 120.699000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 638
! note degeneracy 28, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 77 and resn leu and name hn) (resid 74 and resn arg and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN64
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 545000.000000
! from proton shift 7.890000
! to proton shift 8.531000
! from heavyatom shift 121.279000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 64
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 74 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN640
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 719000.000000
! from proton shift 8.026000
! to proton shift 1.706000
! from heavyatom shift 119.669000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 640
! note degeneracy 60, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 26 and resn ARG and name hg*) 3.400000 1.600000 1.600000
or (resid 9 and resn leu and name hn) (resid 8 and resn val and name hb)
!
! peak name 3dN641
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 171000.000000
! from proton shift 8.068000
! to proton shift 2.222000
! from heavyatom shift 116.518000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 641
! note degeneracy 30, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 65 and resn GLU and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN642
! bounds 5.000000 1.800000
! likelihood 0.960000
! intensity 222000.000000
! from proton shift 8.077000
! to proton shift 1.940000
! from heavyatom shift 116.474000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 642
! note degeneracy 74, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 11, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 66 and resn arg and name hn) (resid 62 and resn PRO and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN643
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 116000.000000
! from proton shift 8.387000
! to proton shift 1.668000
! from heavyatom shift 116.530000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 643
! note degeneracy 18, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hg11) 3.400000 1.600000 1.600000
!
! peak name 3dN644
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 98500.000000
! from proton shift 8.393000
! to proton shift 1.164000
! from heavyatom shift 116.471000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 644
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 21 and resn gly and name hn) (resid 20 and resn ile and name hg2#) 3.650000 1.850000 1.850000
!
! peak name 3dN646
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 316000.000000
! from proton shift 8.055000
! to proton shift 1.749000
! from heavyatom shift 118.412000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 646
! note degeneracy 51, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 48 and resn his and name hn) (resid 47 and resn MET and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN65
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 665000.000000
! from proton shift 7.885000
! to proton shift 7.593000
! from heavyatom shift 121.285000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 65
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 73 and resn leu and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN650
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 184000.000000
! from proton shift 8.541000
! to proton shift 3.176000
! from heavyatom shift 119.348000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 650
! note degeneracy 13, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 74 and resn arg and name hn) (resid 70 and resn PHE and name hb*) 3.400000 1.600000 1.600000
or (resid 74 and resn arg and name hn) (resid 74 and resn ARG and name hd*)
!
! peak name 3dN652
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1090000.000000
! from proton shift 8.344000
! to proton shift 1.849000
! from heavyatom shift 120.548000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 652
! note degeneracy 62, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 79 and resn LYS and name hb*) 3.400000 1.600000 1.600000
or (resid 84 and resn glu and name hn) (resid 84 and resn GLU and name hb*)
!
! peak name 3dN653
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 392000.000000
! from proton shift 8.341000
! to proton shift 2.164000
! from heavyatom shift 120.483000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 653
! note degeneracy 50, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 84 and resn GLU and name hg*) 3.400000 1.600000 1.600000
!
! peak name 3dN656
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 221000.000000
! from proton shift 8.089000
! to proton shift 3.657000
! from heavyatom shift 121.062000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 656
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hn) (resid 25 and resn lys and name ha) 3.400000 1.600000 1.600000
!
! peak name 3dN658
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 842000.000000
! from proton shift 8.345000
! to proton shift 1.538000
! from heavyatom shift 120.499000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 658
! note degeneracy 38, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 84 and resn glu and name hn) (resid 83 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 84 and resn glu and name hn) (resid 83 and resn leu and name hg)
!
! peak name 3dN659
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 505000.000000
! from proton shift 8.031000
! to proton shift 2.006000
! from heavyatom shift 117.817000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 659
! note degeneracy 100, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 12 and resn arg and name hn) (resid 10 and resn LYS and name hb*) 3.400000 1.600000 1.600000
!
! peak name 3dN66
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 638000.000000
! from proton shift 7.716000
! to proton shift 8.061000
! from heavyatom shift 121.244000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 66
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 77 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 79 and resn lys and name hn)
!
! peak name 3dN660
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1230000.000000
! from proton shift 8.027000
! to proton shift 1.477000
! from heavyatom shift 119.778000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 660
! note degeneracy 96, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 30 and resn lys and name hn) (resid 28 and resn LEU and name hb*) 3.400000 1.600000 1.600000
or (resid 30 and resn lys and name hn) (resid 30 and resn LYS and name hg*)
!
! peak name 3dN661
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1030000.000000
! from proton shift 8.017000
! to proton shift 1.398000
! from heavyatom shift 116.652000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 661
! note degeneracy 80, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 69 and resn ala and name hb#) 3.650000 1.850000 1.850000
!
! peak name 3dN67
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 776000.000000
! from proton shift 7.716000
! to proton shift 7.879000
! from heavyatom shift 121.251000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 67
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 76 and resn gln and name hn) (resid 73 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 76 and resn gln and name hn) (resid 75 and resn thr and name hn)
!
! peak name 3dN68
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 852000.000000
! from proton shift 8.090000
! to proton shift 8.317000
! from heavyatom shift 121.152000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 68
! note degeneracy 44, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 29 and resn ala and name hn) (resid 28 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN69
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 441000.000000
! from proton shift 8.671000
! to proton shift 7.770000
! from heavyatom shift 119.612000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 69
! note degeneracy 32, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 59 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN7
! bounds 5.000000 1.800000
! likelihood 0.980000
! intensity 398000.000000
! from proton shift 8.865000
! to proton shift 1.051000
! from heavyatom shift 130.986000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 7
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hn) (resid 39 and resn ile and name hg12) 3.400000 1.600000 1.600000
!
! peak name 3dN70
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 463000.000000
! from proton shift 8.671000
! to proton shift 8.270000
! from heavyatom shift 119.619000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 70
! note degeneracy 36, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 58 and resn glu and name hn) (resid 55 and resn asp and name hn) 3.400000 1.600000 1.600000
or (resid 58 and resn glu and name hn) (resid 56 and resn leu and name hn)
or (resid 58 and resn glu and name hn) (resid 57 and resn tyr and name hn)
!
! peak name 3dN71
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 701000.000000
! from proton shift 8.055000
! to proton shift 7.444000
! from heavyatom shift 118.957000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 71
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 52 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN72
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 653000.000000
! from proton shift 8.054000
! to proton shift 8.631000
! from heavyatom shift 118.934000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 72
! note degeneracy 24, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 51 and resn met and name hn) (resid 50 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN73
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 728000.000000
! from proton shift 7.688000
! to proton shift 8.299000
! from heavyatom shift 118.239000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 73
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 32 and resn gln and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN74
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 660000.000000
! from proton shift 7.689000
! to proton shift 7.995000
! from heavyatom shift 118.245000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 74
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 33 and resn arg and name hn) (resid 34 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN75
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 718000.000000
! from proton shift 7.953000
! to proton shift 8.274000
! from heavyatom shift 118.505000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 75
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 53 and resn leu and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000
or (resid 53 and resn leu and name hn) (resid 55 and resn asp and name hn)
or (resid 53 and resn leu and name hn) (resid 56 and resn leu and name hn)
!
! peak name 3dN76
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 601000.000000
! from proton shift 7.975000
! to proton shift 8.503000
! from heavyatom shift 118.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 76
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 25 and resn lys and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN77
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 535000.000000
! from proton shift 7.978000
! to proton shift 7.728000
! from heavyatom shift 118.637000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 77
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 26 and resn arg and name hn) (resid 27 and resn ile and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN8
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 338000.000000
! from proton shift 8.865000
! to proton shift 0.904000
! from heavyatom shift 130.993000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 8
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 40 and resn leu and name hn) (resid 34 and resn ile and name hg2#) 3.650000 1.850000 1.850000
or (resid 40 and resn leu and name hn) (resid 40 and resn LEU and name hd*)
!
! peak name 3dN81
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 153000.000000
! from proton shift 8.706000
! to proton shift 6.944000
! from heavyatom shift 116.656000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 81
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 42 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN82
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 763000.000000
! from proton shift 8.709000
! to proton shift 7.858000
! from heavyatom shift 116.624000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 82
! note degeneracy 14, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 45 and resn gly and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN83
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 553000.000000
! from proton shift 8.706000
! to proton shift 8.515000
! from heavyatom shift 116.654000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 83
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 44 and resn gln and name hn) (resid 43 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN84
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 569000.000000
! from proton shift 8.016000
! to proton shift 8.892000
! from heavyatom shift 116.643000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 84
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 71 and resn arg and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN85
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 182000.000000
! from proton shift 8.013000
! to proton shift 7.607000
! from heavyatom shift 116.704000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 85
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 70 and resn phe and name hn) (resid 72 and resn glu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN86
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 1620000.000000
! from proton shift 7.747000
! to proton shift 7.359000
! from heavyatom shift 116.622000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 86
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 36 and resn asn and name hn) (resid 35 and resn his and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN87
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 733000.000000
! from proton shift 7.456000
! to proton shift 8.055000
! from heavyatom shift 116.911000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 87
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 51 and resn met and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN88
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 767000.000000
! from proton shift 7.456000
! to proton shift 7.973000
! from heavyatom shift 116.901000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 88
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 53 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN89
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 207000.000000
! from proton shift 7.457000
! to proton shift 8.258000
! from heavyatom shift 116.899000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 89
! note degeneracy 9, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 52 and resn glu and name hn) (resid 54 and resn ile and name hn) 3.400000 1.600000 1.600000
or (resid 52 and resn glu and name hn) (resid 55 and resn asp and name hn)
!
! peak name 3dN9
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 121000.000000
! from proton shift 8.813000
! to proton shift 7.986000
! from heavyatom shift 127.787000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 9
! note degeneracy 10, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 5, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 4 and resn trp and name hn) (resid 3 and resn val and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN90
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 664000.000000
! from proton shift 8.453000
! to proton shift 7.169000
! from heavyatom shift 115.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 90
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 11 and resn ala and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN91
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 833000.000000
! from proton shift 8.452000
! to proton shift 8.042000
! from heavyatom shift 115.653000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 91
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 10 and resn lys and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000
or (resid 10 and resn lys and name hn) (resid 12 and resn arg and name hn)
!
! peak name 3dN92
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 581000.000000
! from proton shift 8.514000
! to proton shift 7.209000
! from heavyatom shift 114.762000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 92
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 8 and resn val and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN93
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 150000.000000
! from proton shift 8.518000
! to proton shift 8.035000
! from heavyatom shift 114.709000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 93
! note degeneracy 17, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 7 and resn glu and name hn) (resid 9 and resn leu and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN94
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 517000.000000
! from proton shift 6.990000
! to proton shift 8.645000
! from heavyatom shift 113.434000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 94
! note degeneracy 6, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 4, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 13 and resn ala and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN95
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 203000.000000
! from proton shift 6.993000
! to proton shift 8.053000
! from heavyatom shift 113.402000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 95
! note degeneracy 16, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 8, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 14 and resn ser and name hn) (resid 12 and resn arg and name hn) 3.400000 1.600000 1.600000
or (resid 14 and resn ser and name hn) (resid 15 and resn val and name hn)
!
! peak name 3dN96
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 412000.000000
! from proton shift 7.639000
! to proton shift 8.741000
! from heavyatom shift 121.617000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 96
! note degeneracy 12, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 18 and resn lys and name hn) (resid 17 and resn gly and name hn) 3.400000 1.600000 1.600000
!
! peak name 3dN97
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 118000.000000
! from proton shift 8.695000
! to proton shift 8.362000
! from heavyatom shift 119.205000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 97
! note degeneracy 20, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 3, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 22 and resn glu and name hn) (resid 21 and resn gly and name hn) 3.400000 1.600000 1.600000
or (resid 22 and resn glu and name hn) (resid 24 and resn tyr and name hn)
!
! peak name 3dN99
! bounds 5.000000 1.800000
! likelihood 1.000000
! intensity 720000.000000
! from proton shift 7.863000
! to proton shift 8.699000
! from heavyatom shift 107.607000
! to heavyatom shift 99999999.000000
! note from XEASY file ./MLDPMT_15N_PEAKS.xeasy, peak 99
! note degeneracy 7, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 2, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 0, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
! note degeneracy 1, with previousLikelihood range 0.900000 .. 2.000000
!
assign (resid 45 and resn gly and name hn) (resid 44 and resn gln and name hn) 3.400000 1.600000 1.600000
Contact the webmaster for help, if required. Tuesday, June 11, 2024 12:15:11 AM GMT (wattos1)