NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
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1881 |
1b4c   |
4001 | cing | 1-original | 2 | XPLOR/CNS | dihedral angle |
! Below I include an updated Talos constraint file. It
! should define things quite a bit better, especially for the
! 2d binding loop, which shows remarkably homology with the
! conformation of the 4th Ca site in CaM complexed with Ca2+ and
! peptide. Do you know if there's an X-ray for either apo-
! of Ca-calbindin D9K? If yes, I'll get teh shifts from
! Chazin and we'll add it to Talos, which should really clean
! up the pseudo EF-hand.
! Cheers,
! Ad
! PS don't overtighten these restraints (<10 kcal/rad^2).
!S1 ave phi = -97.6 +/-24.2
assign (segid="sbm1" and resid 0 and name c)
(segid="sbm1" and resid 1 and name n)
(segid="sbm1" and resid 1 and name ca)
(segid="sbm1" and resid 1 and name c) 1 -97.6 36.2 2
assign (segid="sbm2" and resid 0 and name c)
(segid="sbm2" and resid 1 and name n)
(segid="sbm2" and resid 1 and name ca)
(segid="sbm2" and resid 1 and name c) 1 -97.6 36.2 2
!S1 ave psi = 143.0 +/- 20.0 excl one low value
assign (segid="sbm1" and resid 1 and name n)
(segid="sbm1" and resid 1 and name ca)
(segid="sbm1" and resid 1 and name c)
(segid="sbm1" and resid 2 and name n) 1 143.0 30.0 2
assign (segid="sbm2" and resid 1 and name n)
(segid="sbm2" and resid 1 and name ca)
(segid="sbm2" and resid 1 and name c)
(segid="sbm2" and resid 2 and name n) 1 143.0 30.0 2
!E2 , ave phi = -48.60, phi std = 37.53 excl pos phi
assign (segid="sbm1" and resid 1 and name c)
(segid="sbm1" and resid 2 and name n)
(segid="sbm1" and resid 2 and name ca)
(segid="sbm1" and resid 2 and name c) 1 -58.60 15.06 2
assign (segid="sbm2" and resid 1 and name c)
(segid="sbm2" and resid 2 and name n)
(segid="sbm2" and resid 2 and name ca)
(segid="sbm2" and resid 2 and name c) 1 -58.60 15.06 2
!E2 , ave psi = -29.02, psi std = 29.59
assign (segid="sbm1" and resid 2 and name n)
(segid="sbm1" and resid 2 and name ca)
(segid="sbm1" and resid 2 and name c)
(segid="sbm1" and resid 3 and name n) 1 -5.02 25.17 2
assign (segid="sbm2" and resid 2 and name n)
(segid="sbm2" and resid 2 and name ca)
(segid="sbm2" and resid 2 and name c)
(segid="sbm2" and resid 3 and name n) 1 -5.02 25.17 2
!one (+) phi, but 1JCH = (147.1+145.6)/2
!adjusted based on NOEs 5/22/98 it used to be -39 plus/minus 59
!L3 , ave phi = -65.23, phi std = 6.19
assign (segid="sbm1" and resid 2 and name c)
(segid="sbm1" and resid 3 and name n)
(segid="sbm1" and resid 3 and name ca)
(segid="sbm1" and resid 3 and name c) 1 -65.23 8.39 2
assign (segid="sbm2" and resid 2 and name c)
(segid="sbm2" and resid 3 and name n)
(segid="sbm2" and resid 3 and name ca)
(segid="sbm2" and resid 3 and name c) 1 -65.23 8.39 2
!L3 , ave psi = -41.14, psi std = 6.94
assign (segid="sbm1" and resid 3 and name n)
(segid="sbm1" and resid 3 and name ca)
(segid="sbm1" and resid 3 and name c)
(segid="sbm1" and resid 4 and name n) 1 -41.14 10.89 2
assign (segid="sbm2" and resid 3 and name n)
(segid="sbm2" and resid 3 and name ca)
(segid="sbm2" and resid 3 and name c)
(segid="sbm2" and resid 4 and name n) 1 -41.14 10.89 2
!E4 , ave phi = -60.51, phi std = 6.77
assign (segid="sbm1" and resid 3 and name c)
(segid="sbm1" and resid 4 and name n)
(segid="sbm1" and resid 4 and name ca)
(segid="sbm1" and resid 4 and name c) 1 -60.51 8.55 2
assign (segid="sbm2" and resid 3 and name c)
(segid="sbm2" and resid 4 and name n)
(segid="sbm2" and resid 4 and name ca)
(segid="sbm2" and resid 4 and name c) 1 -60.51 8.55 2
!E4 , ave psi = -43.10, psi std = 2.85
assign (segid="sbm1" and resid 4 and name n)
(segid="sbm1" and resid 4 and name ca)
(segid="sbm1" and resid 4 and name c)
(segid="sbm1" and resid 5 and name n) 1 -43.10 4.71 2
assign (segid="sbm2" and resid 4 and name n)
(segid="sbm2" and resid 4 and name ca)
(segid="sbm2" and resid 4 and name c)
(segid="sbm2" and resid 5 and name n) 1 -43.10 4.71 2
!K5 , ave phi = -59.26, phi std = 6.79
assign (segid="sbm1" and resid 4 and name c)
(segid="sbm1" and resid 5 and name n)
(segid="sbm1" and resid 5 and name ca)
(segid="sbm1" and resid 5 and name c) 1 -59.26 9.58 2
assign (segid="sbm2" and resid 4 and name c)
(segid="sbm2" and resid 5 and name n)
(segid="sbm2" and resid 5 and name ca)
(segid="sbm2" and resid 5 and name c) 1 -59.26 9.58 2
!K5 , ave psi = -38.83, psi std = 6.43
assign (segid="sbm1" and resid 5 and name n)
(segid="sbm1" and resid 5 and name ca)
(segid="sbm1" and resid 5 and name c)
(segid="sbm1" and resid 6 and name n) 1 -38.83 8.86 2
assign (segid="sbm2" and resid 5 and name n)
(segid="sbm2" and resid 5 and name ca)
(segid="sbm2" and resid 5 and name c)
(segid="sbm2" and resid 6 and name n) 1 -38.83 8.86 2
!A6 , ave phi = -62.99, phi std = 6.05
assign (segid="sbm1" and resid 5 and name c)
(segid="sbm1" and resid 6 and name n)
(segid="sbm1" and resid 6 and name ca)
(segid="sbm1" and resid 6 and name c) 1 -62.99 7.09 2
assign (segid="sbm2" and resid 5 and name c)
(segid="sbm2" and resid 6 and name n)
(segid="sbm2" and resid 6 and name ca)
(segid="sbm2" and resid 6 and name c) 1 -62.99 7.09 2
!A6 , ave psi = -41.65, psi std = 8.92
assign (segid="sbm1" and resid 6 and name n)
(segid="sbm1" and resid 6 and name ca)
(segid="sbm1" and resid 6 and name c)
(segid="sbm1" and resid 7 and name n) 1 -41.65 10.84 2
assign (segid="sbm2" and resid 6 and name n)
(segid="sbm2" and resid 6 and name ca)
(segid="sbm2" and resid 6 and name c)
(segid="sbm2" and resid 7 and name n) 1 -41.65 10.84 2
!M7 , ave phi = -67.48, phi std = 3.22
assign (segid="sbm1" and resid 6 and name c)
(segid="sbm1" and resid 7 and name n)
(segid="sbm1" and resid 7 and name ca)
(segid="sbm1" and resid 7 and name c) 1 -67.48 4.43 2
assign (segid="sbm2" and resid 6 and name c)
(segid="sbm2" and resid 7 and name n)
(segid="sbm2" and resid 7 and name ca)
(segid="sbm2" and resid 7 and name c) 1 -67.48 4.43 2
!M7 , ave psi = -36.44, psi std = 6.48
assign (segid="sbm1" and resid 7 and name n)
(segid="sbm1" and resid 7 and name ca)
(segid="sbm1" and resid 7 and name c)
(segid="sbm1" and resid 8 and name n) 1 -36.44 8.96 2
assign (segid="sbm2" and resid 7 and name n)
(segid="sbm2" and resid 7 and name ca)
(segid="sbm2" and resid 7 and name c)
(segid="sbm2" and resid 8 and name n) 1 -36.44 8.96 2
!V8 , ave phi = -64.37, phi std = 3.83
assign (segid="sbm1" and resid 7 and name c)
(segid="sbm1" and resid 8 and name n)
(segid="sbm1" and resid 8 and name ca)
(segid="sbm1" and resid 8 and name c) 1 -64.37 4.67 2
assign (segid="sbm2" and resid 7 and name c)
(segid="sbm2" and resid 8 and name n)
(segid="sbm2" and resid 8 and name ca)
(segid="sbm2" and resid 8 and name c) 1 -64.37 4.67 2
!V8 , ave psi = -45.25, psi std = 6.97
assign (segid="sbm1" and resid 8 and name n)
(segid="sbm1" and resid 8 and name ca)
(segid="sbm1" and resid 8 and name c)
(segid="sbm1" and resid 9 and name n) 1 -45.25 9.94 2
assign (segid="sbm2" and resid 8 and name n)
(segid="sbm2" and resid 8 and name ca)
(segid="sbm2" and resid 8 and name c)
(segid="sbm2" and resid 9 and name n) 1 -45.25 9.94 2
!A9 , ave phi = -62.21, phi std = 4.15
assign (segid="sbm1" and resid 8 and name c)
(segid="sbm1" and resid 9 and name n)
(segid="sbm1" and resid 9 and name ca)
(segid="sbm1" and resid 9 and name c) 1 -62.21 5.29 2
assign (segid="sbm2" and resid 8 and name c)
(segid="sbm2" and resid 9 and name n)
(segid="sbm2" and resid 9 and name ca)
(segid="sbm2" and resid 9 and name c) 1 -62.21 5.29 2
!A9 , ave psi = -37.03, psi std = 6.72
assign (segid="sbm1" and resid 9 and name n)
(segid="sbm1" and resid 9 and name ca)
(segid="sbm1" and resid 9 and name c)
(segid="sbm1" and resid 10 and name n) 1 -37.03 9.44 2
assign (segid="sbm2" and resid 9 and name n)
(segid="sbm2" and resid 9 and name ca)
(segid="sbm2" and resid 9 and name c)
(segid="sbm2" and resid 10 and name n) 1 -37.03 9.44 2
!L10, ave phi = -63.21, phi std = 3.31
assign (segid="sbm1" and resid 9 and name c)
(segid="sbm1" and resid 10 and name n)
(segid="sbm1" and resid 10 and name ca)
(segid="sbm1" and resid 10 and name c) 1 -63.21 4.62 2
assign (segid="sbm2" and resid 9 and name c)
(segid="sbm2" and resid 10 and name n)
(segid="sbm2" and resid 10 and name ca)
(segid="sbm2" and resid 10 and name c) 1 -63.21 4.62 2
!L10, ave psi = -44.77, psi std = 6.36
assign (segid="sbm1" and resid 10 and name n)
(segid="sbm1" and resid 10 and name ca)
(segid="sbm1" and resid 10 and name c)
(segid="sbm1" and resid 11 and name n) 1 -44.77 8.72 2
assign (segid="sbm2" and resid 10 and name n)
(segid="sbm2" and resid 10 and name ca)
(segid="sbm2" and resid 10 and name c)
(segid="sbm2" and resid 11 and name n) 1 -44.77 8.72 2
!I11, ave phi = -63.22, phi std = 4.94
assign (segid="sbm1" and resid 10 and name c)
(segid="sbm1" and resid 11 and name n)
(segid="sbm1" and resid 11 and name ca)
(segid="sbm1" and resid 11 and name c) 1 -63.22 6.89 2
assign (segid="sbm2" and resid 10 and name c)
(segid="sbm2" and resid 11 and name n)
(segid="sbm2" and resid 11 and name ca)
(segid="sbm2" and resid 11 and name c) 1 -63.22 6.89 2
!I11, ave psi = -44.79, psi std = 8.11
assign (segid="sbm1" and resid 11 and name n)
(segid="sbm1" and resid 11 and name ca)
(segid="sbm1" and resid 11 and name c)
(segid="sbm1" and resid 12 and name n) 1 -44.79 10.22 2
assign (segid="sbm2" and resid 11 and name n)
(segid="sbm2" and resid 11 and name ca)
(segid="sbm2" and resid 11 and name c)
(segid="sbm2" and resid 12 and name n) 1 -44.79 10.22 2
!D12, ave phi = -59.70, phi std = 6.27
assign (segid="sbm1" and resid 11 and name c)
(segid="sbm1" and resid 12 and name n)
(segid="sbm1" and resid 12 and name ca)
(segid="sbm1" and resid 12 and name c) 1 -59.70 8.55 2
assign (segid="sbm2" and resid 11 and name c)
(segid="sbm2" and resid 12 and name n)
(segid="sbm2" and resid 12 and name ca)
(segid="sbm2" and resid 12 and name c) 1 -59.70 8.55 2
!D12, ave psi = -47.32, psi std = 5.46
assign (segid="sbm1" and resid 12 and name n)
(segid="sbm1" and resid 12 and name ca)
(segid="sbm1" and resid 12 and name c)
(segid="sbm1" and resid 13 and name n) 1 -47.32 7.92 2
assign (segid="sbm2" and resid 12 and name n)
(segid="sbm2" and resid 12 and name ca)
(segid="sbm2" and resid 12 and name c)
(segid="sbm2" and resid 13 and name n) 1 -47.32 7.92 2
!V13, ave phi = -65.97, phi std = 4.27
assign (segid="sbm1" and resid 12 and name c)
(segid="sbm1" and resid 13 and name n)
(segid="sbm1" and resid 13 and name ca)
(segid="sbm1" and resid 13 and name c) 1 -65.97 5.55 2
assign (segid="sbm2" and resid 12 and name c)
(segid="sbm2" and resid 13 and name n)
(segid="sbm2" and resid 13 and name ca)
(segid="sbm2" and resid 13 and name c) 1 -65.97 5.55 2
!V13, ave psi = -44.19, psi std = 5.88
assign (segid="sbm1" and resid 13 and name n)
(segid="sbm1" and resid 13 and name ca)
(segid="sbm1" and resid 13 and name c)
(segid="sbm1" and resid 14 and name n) 1 -44.19 8.76 2
assign (segid="sbm2" and resid 13 and name n)
(segid="sbm2" and resid 13 and name ca)
(segid="sbm2" and resid 13 and name c)
(segid="sbm2" and resid 14 and name n) 1 -44.19 8.76 2
!F14, ave phi = -62.01, phi std = 7.36
assign (segid="sbm1" and resid 13 and name c)
(segid="sbm1" and resid 14 and name n)
(segid="sbm1" and resid 14 and name ca)
(segid="sbm1" and resid 14 and name c) 1 -62.01 10.72 2
assign (segid="sbm2" and resid 13 and name c)
(segid="sbm2" and resid 14 and name n)
(segid="sbm2" and resid 14 and name ca)
(segid="sbm2" and resid 14 and name c) 1 -62.01 10.72 2
!F14, ave psi = -43.08, psi std = 4.11
assign (segid="sbm1" and resid 14 and name n)
(segid="sbm1" and resid 14 and name ca)
(segid="sbm1" and resid 14 and name c)
(segid="sbm1" and resid 15 and name n) 1 -43.08 7.22 2
assign (segid="sbm2" and resid 14 and name n)
(segid="sbm2" and resid 14 and name ca)
(segid="sbm2" and resid 14 and name c)
(segid="sbm2" and resid 15 and name n) 1 -43.08 7.22 2
!H15, ave phi = -70.69, phi std = 10.56
assign (segid="sbm1" and resid 14 and name c)
(segid="sbm1" and resid 15 and name n)
(segid="sbm1" and resid 15 and name ca)
(segid="sbm1" and resid 15 and name c) 1 -70.69 15.11 2
assign (segid="sbm2" and resid 14 and name c)
(segid="sbm2" and resid 15 and name n)
(segid="sbm2" and resid 15 and name ca)
(segid="sbm2" and resid 15 and name c) 1 -70.69 15.11 2
!H15, ave psi = -44.09, psi std = 10.40
assign (segid="sbm1" and resid 15 and name n)
(segid="sbm1" and resid 15 and name ca)
(segid="sbm1" and resid 15 and name c)
(segid="sbm1" and resid 16 and name n) 1 -44.09 15.80 2
assign (segid="sbm2" and resid 15 and name n)
(segid="sbm2" and resid 15 and name ca)
(segid="sbm2" and resid 15 and name c)
(segid="sbm2" and resid 16 and name n) 1 -44.09 15.80 2
!Q16, ave phi = -63.10, phi std = 4.76
assign (segid="sbm1" and resid 15 and name c)
(segid="sbm1" and resid 16 and name n)
(segid="sbm1" and resid 16 and name ca)
(segid="sbm1" and resid 16 and name c) 1 -63.10 6.53 2
assign (segid="sbm2" and resid 15 and name c)
(segid="sbm2" and resid 16 and name n)
(segid="sbm2" and resid 16 and name ca)
(segid="sbm2" and resid 16 and name c) 1 -63.10 6.53 2
!Q16, ave psi = -38.73, psi std = 4.42
assign (segid="sbm1" and resid 16 and name n)
(segid="sbm1" and resid 16 and name ca)
(segid="sbm1" and resid 16 and name c)
(segid="sbm1" and resid 17 and name n) 1 -38.73 5.84 2
assign (segid="sbm2" and resid 16 and name n)
(segid="sbm2" and resid 16 and name ca)
(segid="sbm2" and resid 16 and name c)
(segid="sbm2" and resid 17 and name n) 1 -38.73 5.84 2
!Y17, ave phi = -65.57, phi std = 7.57
assign (segid="sbm1" and resid 16 and name c)
(segid="sbm1" and resid 17 and name n)
(segid="sbm1" and resid 17 and name ca)
(segid="sbm1" and resid 17 and name c) 1 -65.57 12.14 2
assign (segid="sbm2" and resid 16 and name c)
(segid="sbm2" and resid 17 and name n)
(segid="sbm2" and resid 17 and name ca)
(segid="sbm2" and resid 17 and name c) 1 -65.57 12.14 2
!Y17, ave psi = -43.59, psi std = 7.70
assign (segid="sbm1" and resid 17 and name n)
(segid="sbm1" and resid 17 and name ca)
(segid="sbm1" and resid 17 and name c)
(segid="sbm1" and resid 18 and name n) 1 -43.59 10.41 2
assign (segid="sbm2" and resid 17 and name n)
(segid="sbm2" and resid 17 and name ca)
(segid="sbm2" and resid 17 and name c)
(segid="sbm2" and resid 18 and name n) 1 -43.59 10.41 2
!S18, ave phi = -58.29, phi std = 7.33
assign (segid="sbm1" and resid 17 and name c)
(segid="sbm1" and resid 18 and name n)
(segid="sbm1" and resid 18 and name ca)
(segid="sbm1" and resid 18 and name c) 50 -90 10 2! -58.29 14.66 2
assign (segid="sbm2" and resid 17 and name c)
(segid="sbm2" and resid 18 and name n)
(segid="sbm2" and resid 18 and name ca)
(segid="sbm2" and resid 18 and name c) 50 -90 10 2! -58.29 14.66 2
!S18, ave psi = -20.58, psi std = 54.16
! ave = -37.5 +/- 4.5 w/o one + value, include it 980316 - ACD
assign (segid="sbm1" and resid 18 and name n)
(segid="sbm1" and resid 18 and name ca)
(segid="sbm1" and resid 18 and name c)
(segid="sbm1" and resid 19 and name n) 50 51 10 2 !-37.5 9.0 2
assign (segid="sbm2" and resid 18 and name n)
(segid="sbm2" and resid 18 and name ca)
(segid="sbm2" and resid 18 and name c)
(segid="sbm2" and resid 19 and name n) 50 51 10 2 !-37.5 9.0 2
!G19, ave phi = -27.83, phi std = 93.02
assign (segid="sbm1" and resid 18 and name c)
(segid="sbm1" and resid 19 and name n)
(segid="sbm1" and resid 19 and name ca)
(segid="sbm1" and resid 19 and name c) 1 -80 40 2
assign (segid="sbm2" and resid 18 and name c)
(segid="sbm2" and resid 19 and name n)
(segid="sbm2" and resid 19 and name ca)
(segid="sbm2" and resid 19 and name c) 1 -80 40 2
!based on apo-CaM N-terminal hands
!G19, ave psi = -44.02, psi std = 50.97
assign (segid="sbm1" and resid 19 and name n)
(segid="sbm1" and resid 19 and name ca)
(segid="sbm1" and resid 19 and name c)
(segid="sbm1" and resid 20 and name n) 1 -10 10 2
assign (segid="sbm2" and resid 19 and name n)
(segid="sbm2" and resid 19 and name ca)
(segid="sbm2" and resid 19 and name c)
(segid="sbm2" and resid 20 and name n) 1 -10 10 2
!based on apo-CaM (also see apo-calb)
!R20, ave phi = -51.24, phi std = 39.13
assign (segid="sbm1" and resid 19 and name c)
(segid="sbm1" and resid 20 and name n)
(segid="sbm1" and resid 20 and name ca)
(segid="sbm1" and resid 20 and name c) 1 -66 10 2
assign (segid="sbm2" and resid 19 and name c)
(segid="sbm2" and resid 20 and name n)
(segid="sbm2" and resid 20 and name ca)
(segid="sbm2" and resid 20 and name c) 1 -66 10 2
!one (+) phi but 1JCH=147.0 (raised and narrowed limit based on apo-calbindin)
!R20, ave psi = -30.82, psi std = 26.72
assign (segid="sbm1" and resid 20 and name n)
(segid="sbm1" and resid 20 and name ca)
(segid="sbm1" and resid 20 and name c)
(segid="sbm1" and resid 21 and name n) 1 -40.82 8.45 2
assign (segid="sbm2" and resid 20 and name n)
(segid="sbm2" and resid 20 and name ca)
(segid="sbm2" and resid 20 and name c)
(segid="sbm2" and resid 21 and name n) 1 -40.82 8.45 2
!one (+) psi
!E21, ave phi = -115.48, phi std = 28.87
!ave = -100 +/- 17.6 if exclude 3 paired with excluded psi
assign (segid="sbm1" and resid 20 and name c)
(segid="sbm1" and resid 21 and name n)
(segid="sbm1" and resid 21 and name ca)
(segid="sbm1" and resid 21 and name c) 1 -115.48 28.8 2
assign (segid="sbm2" and resid 20 and name c)
(segid="sbm2" and resid 21 and name n)
(segid="sbm2" and resid 21 and name ca)
(segid="sbm2" and resid 21 and name c) 1 -115.48 28.8 2
!E21, ave psi = 41.76, psi std = 79.01 PROBABLY PSI ~0 (ABX)
! ave = -6.68 +/- 12.8 if exclude 3 large + values
assign (segid="sbm1" and resid 21 and name n)
(segid="sbm1" and resid 21 and name ca)
(segid="sbm1" and resid 21 and name c)
(segid="sbm1" and resid 22 and name n) 1 -6.68 26.0 2
assign (segid="sbm2" and resid 21 and name n)
(segid="sbm2" and resid 21 and name ca)
(segid="sbm2" and resid 21 and name c)
(segid="sbm2" and resid 22 and name n) 1 -6.68 26.0 2
!broad range of psi
!G22, ave phi = 42.64, phi std = 72.17 TENTATIVE (ABX)
assign (segid="sbm1" and resid 21 and name c)
(segid="sbm1" and resid 22 and name n)
(segid="sbm1" and resid 22 and name ca)
(segid="sbm1" and resid 22 and name c) 1 42.64 14.00 2
assign (segid="sbm2" and resid 21 and name c)
(segid="sbm2" and resid 22 and name n)
(segid="sbm2" and resid 22 and name ca)
(segid="sbm2" and resid 22 and name c) 1 42.64 14.00 2
! changed range to 20 from 14.35 980312 ACD; changed back, DJW
!G22, ave psi = -61.10, psi std = 97.08
assign (segid="sbm1" and resid 22 and name n)
(segid="sbm1" and resid 22 and name ca)
(segid="sbm1" and resid 22 and name c)
(segid="sbm1" and resid 23 and name n) 1 17 10.2 2 !-61.10 194.16 2
assign (segid="sbm2" and resid 22 and name n)
(segid="sbm2" and resid 22 and name ca)
(segid="sbm2" and resid 22 and name c)
(segid="sbm2" and resid 23 and name n) 1 17 10.2 2 !-61.10 194.16 2
!broad range both phi and psi; put in 17 based on CaM DJW
!D23, ave phi = -76.97, phi std = 17.48
assign (segid="sbm1" and resid 22 and name c)
(segid="sbm1" and resid 23 and name n)
(segid="sbm1" and resid 23 and name ca)
(segid="sbm1" and resid 23 and name c) 1 -76.97 20.96 2
assign (segid="sbm2" and resid 22 and name c)
(segid="sbm2" and resid 23 and name n)
(segid="sbm2" and resid 23 and name ca)
(segid="sbm2" and resid 23 and name c) 1 -76.97 20.96 2
!D23, ave psi = 75.82, psi std = 77.21
!assign (segid="sbm1" and resid 23 and name n)
! (segid="sbm1" and resid 23 and name ca)
! (segid="sbm1" and resid 23 and name c)
! (segid="sbm1" and resid 24 and name n) 1 120.00 60.00 2
!assign (segid="sbm2" and resid 23 and name n)
! (segid="sbm2" and resid 23 and name ca)
! (segid="sbm2" and resid 23 and name c)
! (segid="sbm2" and resid 24 and name n) 1 120.00 60.00 2
!Add in constraint based on 4D NOE 5/22/98
!K24, ave phi = -74.98, phi std = 8.77
assign (segid="sbm1" and resid 23 and name c)
(segid="sbm1" and resid 24 and name n)
(segid="sbm1" and resid 24 and name ca)
(segid="sbm1" and resid 24 and name c) 1 -74.98 12.54 2
assign (segid="sbm2" and resid 23 and name c)
(segid="sbm2" and resid 24 and name n)
(segid="sbm2" and resid 24 and name ca)
(segid="sbm2" and resid 24 and name c) 1 -74.98 12.54 2
!changed to -64 since HNHA=3.3 or -50 phi
!K24, ave psi = 44.35, psi std = 78.97
assign (segid="sbm1" and resid 24 and name n)
(segid="sbm1" and resid 24 and name ca)
(segid="sbm1" and resid 24 and name c)
(segid="sbm1" and resid 25 and name n) 1 110.00 70.00 2
assign (segid="sbm2" and resid 24 and name n)
(segid="sbm2" and resid 24 and name ca)
(segid="sbm2" and resid 24 and name c)
(segid="sbm2" and resid 25 and name n) 1 110.00 70.00 2
!too broad; insert psi based on 4D NOEs 5/22/98; allow it to go down
!to 40 from talos, but don't let it go above 180 based on NOEs
!H25, ave phi = -91.54, phi std = 16.18
assign (segid="sbm1" and resid 24 and name c)
(segid="sbm1" and resid 25 and name n)
(segid="sbm1" and resid 25 and name ca)
(segid="sbm1" and resid 25 and name c) 1 -115.54 15.36 2
assign (segid="sbm2" and resid 24 and name c)
(segid="sbm2" and resid 25 and name n)
(segid="sbm2" and resid 25 and name ca)
(segid="sbm2" and resid 25 and name c) 1 -115.54 15.36 2
!based on HNHA J=10.25 DJW 6/6/98
!H25, ave psi = 54.93, psi std = 85.88
assign (segid="sbm1" and resid 25 and name n)
(segid="sbm1" and resid 25 and name ca
(segid="sbm1" and resid 25 and name c) 1 60 20 2
(segid="sbm1" and resid 26 and name n) 1 60.00
assign (segid="sbm2" and resid 25 and name n)
(segid="sbm2" and resid 25 and name ca))
(segid="sbm2" and resid 25 and name n) 1 60 20 2
(segid="sbm2" and resid 26 and name n) 1 60.00 30.00 2
!too broad; restraint based on NOEs 5/22/98 (narrowed range based on calbindin struct)
!K26, ave phi = -128.19, phi std = 12.64
assign (segid="sbm1" and resid 25 and name c)
(segid="sbm1" and resid 26 and name n)
(segid="sbm1" and resid 26 and name ca)
(segid="sbm1" and resid 26 and name c) 1 -128.19 12.28 2
assign (segid="sbm2" and resid 25 and name c)
(segid="sbm2" and resid 26 and name n)
(segid="sbm2" and resid 26 and name ca)
(segid="sbm2" and resid 26 and name c) 1 -128.19 12.28 2
!K26, ave psi = 147.64, psi std = 15.83
assign (segid="sbm1" and resid 26 and name n)
(segid="sbm1" and resid 26 and name ca)
(segid="sbm1" and resid 26 and name c)
(segid="sbm1" and resid 27 and name n) 1 147.64 15.66 2
assign (segid="sbm2" and resid 26 and name n)
(segid="sbm2" and resid 26 and name ca)
(segid="sbm2" and resid 26 and name c)
(segid="sbm2" and resid 27 and name n) 1 147.64 15.66 2
!L27, ave phi = -119.05, phi std = 13.84
assign (segid="sbm1" and resid 26 and name c)
(segid="sbm1" and resid 27 and name n)
(segid="sbm1" and resid 27 and name ca)
(segid="sbm1" and resid 27 and name c) 1 -119.05 13.69 2
assign (segid="sbm2" and resid 26 and name c)
(segid="sbm2" and resid 27 and name n)
(segid="sbm2" and resid 27 and name ca)
(segid="sbm2" and resid 27 and name c) 1 -119.05 13.69 2
!L27, ave psi = 140.09, psi std = 15.48
assign (segid="sbm1" and resid 27 and name n)
(segid="sbm1" and resid 27 and name ca)
(segid="sbm1" and resid 27 and name c)
(segid="sbm1" and resid 28 and name n) 1 140.09 15.96 2
assign (segid="sbm2" and resid 27 and name n)
(segid="sbm2" and resid 27 and name ca)
(segid="sbm2" and resid 27 and name c)
(segid="sbm2" and resid 28 and name n) 1 140.09 15.96 2
!K28, ave phi = -99.35, phi std = 26.64
assign (segid="sbm1" and resid 27 and name c)
(segid="sbm1" and resid 28 and name n)
(segid="sbm1" and resid 28 and name ca)
(segid="sbm1" and resid 28 and name c) 1 -99.35 26.28 2
assign (segid="sbm2" and resid 27 and name c)
(segid="sbm2" and resid 28 and name n)
(segid="sbm2" and resid 28 and name ca)
(segid="sbm2" and resid 28 and name c) 1 -99.35 26.28 2
!K28, ave psi = 129.96, psi std = 50.64
assign (segid="sbm1" and resid 28 and name n)
(segid="sbm1" and resid 28 and name ca)
(segid="sbm1" and resid 28 and name c)
(segid="sbm1" and resid 29 and name n) 1 129.96 25.28 2
assign (segid="sbm2" and resid 28 and name n)
(segid="sbm2" and resid 28 and name ca)
(segid="sbm2" and resid 28 and name c)
(segid="sbm2" and resid 29 and name n) 1 129.96 25.28 2
!modified based on NOEs 5/22/98
!K29, ave phi = -61.87, phi std = 4.44
assign (segid="sbm1" and resid 28 and name c)
(segid="sbm1" and resid 29 and name n)
(segid="sbm1" and resid 29 and name ca)
(segid="sbm1" and resid 29 and name c) 1 -61.87 5.87 2
assign (segid="sbm2" and resid 28 and name c)
(segid="sbm2" and resid 29 and name n)
(segid="sbm2" and resid 29 and name ca)
(segid="sbm2" and resid 29 and name c) 1 -61.87 5.87 2
!K29, ave psi = -38.36, psi std = 5.92
assign (segid="sbm1" and resid 29 and name n)
(segid="sbm1" and resid 29 and name ca)
(segid="sbm1" and resid 29 and name c)
(segid="sbm1" and resid 30 and name n) 1 -38.36 10.5 2
assign (segid="sbm2" and resid 29 and name n)
(segid="sbm2" and resid 29 and name ca)
(segid="sbm2" and resid 29 and name c)
(segid="sbm2" and resid 30 and name n) 1 -38.36 10.5 2
!helix does not match NOEs here; therefore opened this angle up; 5/22/98
!go back to using talos constraint 6/3/98
!S30, ave phi = -62.38, phi std = 5.69
assign (segid="sbm1" and resid 29 and name c)
(segid="sbm1" and resid 30 and name n)
(segid="sbm1" and resid 30 and name ca)
(segid="sbm1" and resid 30 and name c) 1 -62.38 6.39 2
assign (segid="sbm2" and resid 29 and name c)
(segid="sbm2" and resid 30 and name n)
(segid="sbm2" and resid 30 and name ca)
(segid="sbm2" and resid 30 and name c) 1 -62.38 6.39 2
!S30, ave psi = -35.99, psi std = 6.08
assign (segid="sbm1" and resid 30 and name n)
(segid="sbm1" and resid 30 and name ca)
(segid="sbm1" and resid 30 and name c)
(segid="sbm1" and resid 31 and name n) 1 -35.99 8.16 2
assign (segid="sbm2" and resid 30 and name n)
(segid="sbm2" and resid 30 and name ca)
(segid="sbm2" and resid 30 and name c)
(segid="sbm2" and resid 31 and name n) 1 -35.99 8.16 2
!E31, ave phi = -62.73, phi std = 7.11
assign (segid="sbm1" and resid 30 and name c)
(segid="sbm1" and resid 31 and name n)
(segid="sbm1" and resid 31 and name ca)
(segid="sbm1" and resid 31 and name c) 1 -62.73 14.11 2
assign (segid="sbm2" and resid 30 and name c)
(segid="sbm2" and resid 31 and name n)
(segid="sbm2" and resid 31 and name ca)
(segid="sbm2" and resid 31 and name c) 1 -62.73 14.11 2
!E31, ave psi = -41.84, psi std = 6.76
assign (segid="sbm1" and resid 31 and name n)
(segid="sbm1" and resid 31 and name ca)
(segid="sbm1" and resid 31 and name c)
(segid="sbm1" and resid 32 and name n) 1 -41.84 6.52 2
assign (segid="sbm2" and resid 31 and name n)
(segid="sbm2" and resid 31 and name ca)
(segid="sbm2" and resid 31 and name c)
(segid="sbm2" and resid 32 and name n) 1 -41.84 6.52 2
!L32, ave phi = -65.76, phi std = 6.71
assign (segid="sbm1" and resid 31 and name c)
(segid="sbm1" and resid 32 and name n)
(segid="sbm1" and resid 32 and name ca)
(segid="sbm1" and resid 32 and name c) 1 -65.76 10.42 2
assign (segid="sbm2" and resid 31 and name c)
(segid="sbm2" and resid 32 and name n)
(segid="sbm2" and resid 32 and name ca)
(segid="sbm2" and resid 32 and name c) 1 -65.76 10.42 2
!L32, ave psi = -36.90, psi std = 7.69
assign (segid="sbm1" and resid 32 and name n)
(segid="sbm1" and resid 32 and name ca)
(segid="sbm1" and resid 32 and name c)
(segid="sbm1" and resid 33 and name n) 1 -36.90 10.38 2
assign (segid="sbm2" and resid 32 and name n)
(segid="sbm2" and resid 32 and name ca)
(segid="sbm2" and resid 32 and name c)
(segid="sbm2" and resid 33 and name n) 1 -36.90 10.38 2
!K33, ave phi = -60.08, phi std = 5.59
assign (segid="sbm1" and resid 32 and name c)
(segid="sbm1" and resid 33 and name n)
(segid="sbm1" and resid 33 and name ca)
(segid="sbm1" and resid 33 and name c) 1 -60.08 8.18 2
assign (segid="sbm2" and resid 32 and name c)
(segid="sbm2" and resid 33 and name n)
(segid="sbm2" and resid 33 and name ca)
(segid="sbm2" and resid 33 and name c) 1 -60.08 8.18 2
!K33, ave psi = -43.33, psi std = 5.05
assign (segid="sbm1" and resid 33 and name n)
(segid="sbm1" and resid 33 and name ca)
(segid="sbm1" and resid 33 and name c)
(segid="sbm1" and resid 34 and name n) 1 -43.33 7.11 2
assign (segid="sbm2" and resid 33 and name n)
(segid="sbm2" and resid 33 and name ca)
(segid="sbm2" and resid 33 and name c)
(segid="sbm2" and resid 34 and name n) 1 -43.33 7.11 2
!E34, ave phi = -63.16, phi std = 3.78
assign (segid="sbm1" and resid 33 and name c)
(segid="sbm1" and resid 34 and name n)
(segid="sbm1" and resid 34 and name ca)
(segid="sbm1" and resid 34 and name c) 1 -63.16 5.57 2
assign (segid="sbm2" and resid 33 and name c)
(segid="sbm2" and resid 34 and name n)
(segid="sbm2" and resid 34 and name ca)
(segid="sbm2" and resid 34 and name c) 1 -63.16 5.57 2
!E34, ave psi = -42.05, psi std = 7.58
assign (segid="sbm1" and resid 34 and name n)
(segid="sbm1" and resid 34 and name ca)
(segid="sbm1" and resid 34 and name c)
(segid="sbm1" and resid 35 and name n) 1 -42.05 10.17 2
assign (segid="sbm2" and resid 34 and name n)
(segid="sbm2" and resid 34 and name ca)
(segid="sbm2" and resid 34 and name c)
(segid="sbm2" and resid 35 and name n) 1 -42.05 10.17 2
!L35, ave phi = -63.02, phi std = 3.02
assign (segid="sbm1" and resid 34 and name c)
(segid="sbm1" and resid 35 and name n)
(segid="sbm1" and resid 35 and name ca)
(segid="sbm1" and resid 35 and name c) 1 -63.02 4.04 2
assign (segid="sbm2" and resid 34 and name c)
(segid="sbm2" and resid 35 and name n)
(segid="sbm2" and resid 35 and name ca)
(segid="sbm2" and resid 35 and name c) 1 -63.02 4.04 2
!L35, ave psi = -46.59, psi std = 4.99
assign (segid="sbm1" and resid 35 and name n)
(segid="sbm1" and resid 35 and name ca)
(segid="sbm1" and resid 35 and name c)
(segid="sbm1" and resid 36 and name n) 1 -46.59 6.98 2
assign (segid="sbm2" and resid 35 and name n)
(segid="sbm2" and resid 35 and name ca)
(segid="sbm2" and resid 35 and name c)
(segid="sbm2" and resid 36 and name n) 1 -46.59 6.98 2
!I36, ave phi = -62.77, phi std = 5.16
assign (segid="sbm1" and resid 35 and name c)
(segid="sbm1" and resid 36 and name n)
(segid="sbm1" and resid 36 and name ca)
(segid="sbm1" and resid 36 and name c) 1 -62.77 7.32 2
assign (segid="sbm2" and resid 35 and name c)
(segid="sbm2" and resid 36 and name n)
(segid="sbm2" and resid 36 and name ca)
(segid="sbm2" and resid 36 and name c) 1 -62.77 7.32 2
!I36, ave psi = -44.64, psi std = 6.35
assign (segid="sbm1" and resid 36 and name n)
(segid="sbm1" and resid 36 and name ca)
(segid="sbm1" and resid 36 and name c)
(segid="sbm1" and resid 37 and name n) 1 -44.64 8.69 2
assign (segid="sbm2" and resid 36 and name n)
(segid="sbm2" and resid 36 and name ca)
(segid="sbm2" and resid 36 and name c)
(segid="sbm2" and resid 37 and name n) 1 -44.64 8.69 2
!N37, ave phi = -58.89, phi std = 6.83
assign (segid="sbm1" and resid 36 and name c)
(segid="sbm1" and resid 37 and name n)
(segid="sbm1" and resid 37 and name ca)
(segid="sbm1" and resid 37 and name c) 1 -58.89 9.66 2
assign (segid="sbm2" and resid 36 and name c)
(segid="sbm2" and resid 37 and name n)
(segid="sbm2" and resid 37 and name ca)
(segid="sbm2" and resid 37 and name c) 1 -58.89 9.66 2
!N37, ave psi = -40.33, psi std = 10.03
assign (segid="sbm1" and resid 37 and name n)
(segid="sbm1" and resid 37 and name ca)
(segid="sbm1" and resid 37 and name c)
(segid="sbm1" and resid 38 and name n) 1 -40.33 15.06 2
assign (segid="sbm2" and resid 37 and name n)
(segid="sbm2" and resid 37 and name ca)
(segid="sbm2" and resid 37 and name c)
(segid="sbm2" and resid 38 and name n) 1 -40.33 15.06 2
!N38, ave phi = -76.34, phi std = 22.25
assign (segid="sbm1" and resid 37 and name c)
(segid="sbm1" and resid 38 and name n)
(segid="sbm1" and resid 38 and name ca)
(segid="sbm1" and resid 38 and name c) 1 -86.34 40.50 2
assign (segid="sbm2" and resid 37 and name c)
(segid="sbm2" and resid 38 and name n)
(segid="sbm2" and resid 38 and name ca)
(segid="sbm2" and resid 38 and name c) 1 -86.34 40.50 2
!N38, ave psi = -29.62, psi std = 20.76
assign (segid="sbm1" and resid 38 and name n)
(segid="sbm1" and resid 38 and name ca)
(segid="sbm1" and resid 38 and name c)
(segid="sbm1" and resid 39 and name n) 1 -29.62 31.52 2
assign (segid="sbm2" and resid 38 and name n)
(segid="sbm2" and resid 38 and name ca)
(segid="sbm2" and resid 38 and name c)
(segid="sbm2" and resid 39 and name n) 1 -29.62 31.52 2
!E39, ave phi = -84.58, phi std = 21.19
assign (segid="sbm1" and resid 38 and name c)
(segid="sbm1" and resid 39 and name n)
(segid="sbm1" and resid 39 and name ca)
(segid="sbm1" and resid 39 and name c) 1 -89.58 32.38 2
assign (segid="sbm2" and resid 38 and name c)
(segid="sbm2" and resid 39 and name n)
(segid="sbm2" and resid 39 and name ca)
(segid="sbm2" and resid 39 and name c) 1 -89.58 32.38 2
!E39, ave psi = 14.52, psi std = 60.01
! ave = -13.4 +/- 10.7 if exclude 2 large + values
! structures falling in A/a in test32
assign (segid="sbm1" and resid 39 and name n)
(segid="sbm1" and resid 39 and name ca)
(segid="sbm1" and resid 39 and name c)
(segid="sbm1" and resid 40 and name n) 1 -13.4 11.0 2
assign (segid="sbm2" and resid 39 and name n)
(segid="sbm2" and resid 39 and name ca)
(segid="sbm2" and resid 39 and name c)
(segid="sbm2" and resid 40 and name n) 1 -13.4 11.0 2
!L40, ave phi = -86.80, phi std = 13.24
assign (segid="sbm1" and resid 39 and name c)
(segid="sbm1" and resid 40 and name n)
(segid="sbm1" and resid 40 and name ca)
(segid="sbm1" and resid 40 and name c) 1 -90.80 26.49 2
assign (segid="sbm2" and resid 39 and name c)
(segid="sbm2" and resid 40 and name n)
(segid="sbm2" and resid 40 and name ca)
(segid="sbm2" and resid 40 and name c) 1 -90.80 26.49 2
!L40, ave psi = 81.61, psi std = 58.76 (changed to 131.61 ABX)
assign (segid="sbm1" and resid 40 and name n)
(segid="sbm1" and resid 40 and name ca)
(segid="sbm1" and resid 40 and name c)
(segid="sbm1" and resid 41 and name n) 1 60 90 2
assign (segid="sbm2" and resid 40 and name n)
(segid="sbm2" and resid 40 and name ca)
(segid="sbm2" and resid 40 and name c)
(segid="sbm2" and resid 41 and name n) 1 60 90 2
!changed to 60 plus/minus 90 since no alpha-N seen in NOE- 5/22/98!
!S41, ave phi = -60.17, phi std = 6.52
assign (segid="sbm1" and resid 40 and name c)
(segid="sbm1" and resid 41 and name n)
(segid="sbm1" and resid 41 and name ca)
(segid="sbm1" and resid 41 and name c) 1 -60.17 10.05 2
assign (segid="sbm2" and resid 40 and name c)
(segid="sbm2" and resid 41 and name n)
(segid="sbm2" and resid 41 and name ca)
(segid="sbm2" and resid 41 and name c) 1 -60.17 10.05 2
!S41, ave psi = -44.29, psi std = 7.99
assign (segid="sbm1" and resid 41 and name n)
(segid="sbm1" and resid 41 and name ca)
(segid="sbm1" and resid 41 and name c)
(segid="sbm1" and resid 42 and name n) 1 -44.29 15.98 2
assign (segid="sbm2" and resid 41 and name n)
(segid="sbm2" and resid 41 and name ca)
(segid="sbm2" and resid 41 and name c)
(segid="sbm2" and resid 42 and name n) 1 -44.29 15.98 2
!H42, ave phi = -62.56, phi std = 5.69
assign (segid="sbm1" and resid 41 and name c)
(segid="sbm1" and resid 42 and name n)
(segid="sbm1" and resid 42 and name ca)
(segid="sbm1" and resid 42 and name c) 1 -62.56 8.37 2
assign (segid="sbm2" and resid 41 and name c)
(segid="sbm2" and resid 42 and name n)
(segid="sbm2" and resid 42 and name ca)
(segid="sbm2" and resid 42 and name c) 1 -62.56 8.37 2
!H42, ave psi = -38.31, psi std = 6.95
assign (segid="sbm1" and resid 42 and name n)
(segid="sbm1" and resid 42 and name ca)
(segid="sbm1" and resid 42 and name c)
(segid="sbm1" and resid 43 and name n) 1 -38.31 10.89 2
assign (segid="sbm2" and resid 42 and name n)
(segid="sbm2" and resid 42 and name ca)
(segid="sbm2" and resid 42 and name c)
(segid="sbm2" and resid 43 and name n) 1 -38.31 10.89 2
!F43, ave phi = -66.72, phi std = 8.71
assign (segid="sbm1" and resid 42 and name c)
(segid="sbm1" and resid 43 and name n)
(segid="sbm1" and resid 43 and name ca)
(segid="sbm1" and resid 43 and name c) 1 -66.72 12.42 2
assign (segid="sbm2" and resid 42 and name c)
(segid="sbm2" and resid 43 and name n)
(segid="sbm2" and resid 43 and name ca)
(segid="sbm2" and resid 43 and name c) 1 -66.72 12.42 2
!F43, ave psi = -30.44, psi std = 6.20
assign (segid="sbm1" and resid 43 and name n)
(segid="sbm1" and resid 43 and name ca)
(segid="sbm1" and resid 43 and name c)
(segid="sbm1" and resid 44 and name n) 1 -30.44 12.40 2
assign (segid="sbm2" and resid 43 and name n)
(segid="sbm2" and resid 43 and name ca)
(segid="sbm2" and resid 43 and name c)
(segid="sbm2" and resid 44 and name n) 1 -30.44 12.40 2
!L44, ave phi = -61.40, phi std = 8.51
assign (segid="sbm1" and resid 43 and name c)
(segid="sbm1" and resid 44 and name n)
(segid="sbm1" and resid 44 and name ca)
(segid="sbm1" and resid 44 and name c) 1 -61.40 12.01 2
assign (segid="sbm2" and resid 43 and name c)
(segid="sbm2" and resid 44 and name n)
(segid="sbm2" and resid 44 and name ca)
(segid="sbm2" and resid 44 and name c) 1 -61.40 12.01 2
!L44, ave psi = -32.70, psi std = 11.53
assign (segid="sbm1" and resid 44 and name n)
(segid="sbm1" and resid 44 and name ca)
(segid="sbm1" and resid 44 and name c)
(segid="sbm1" and resid 45 and name n) 1 -32.70 15.06 2
assign (segid="sbm2" and resid 44 and name n)
(segid="sbm2" and resid 44 and name ca)
(segid="sbm2" and resid 44 and name c)
(segid="sbm2" and resid 45 and name n) 1 -32.70 15.06 2
!E45, ave phi = -54.68, phi std = 40.02 ELIMINATE +PHI J=146 HZ
assign (segid="sbm1" and resid 44 and name c)
(segid="sbm1" and resid 45 and name n)
(segid="sbm1" and resid 45 and name ca)
(segid="sbm1" and resid 45 and name c) 1 -68.68 14.05 2
assign (segid="sbm2" and resid 44 and name c)
(segid="sbm2" and resid 45 and name n)
(segid="sbm2" and resid 45 and name ca)
(segid="sbm2" and resid 45 and name c) 1 -68.68 14.05 2
!E45, ave psi = -29.75, psi std = 23.24
assign (segid="sbm1" and resid 45 and name n)
(segid="sbm1" and resid 45 and name ca)
(segid="sbm1" and resid 45 and name c)
(segid="sbm1" and resid 46 and name n) 1 -35.75 16.49 2
assign (segid="sbm2" and resid 45 and name n)
(segid="sbm2" and resid 45 and name ca)
(segid="sbm2" and resid 45 and name c)
(segid="sbm2" and resid 46 and name n) 1 -35.75 16.49 2
!E46, ave phi = -100.29, phi std = 16.77
assign (segid="sbm1" and resid 45 and name c)
(segid="sbm1" and resid 46 and name n)
(segid="sbm1" and resid 46 and name ca)
(segid="sbm1" and resid 46 and name c) 1 -100.29 23.53 2
assign (segid="sbm2" and resid 45 and name c)
(segid="sbm2" and resid 46 and name n)
(segid="sbm2" and resid 46 and name ca)
(segid="sbm2" and resid 46 and name c) 1 -100.29 23.53 2
!E46, ave psi = 26.93, psi std = 58.44 LIKELY 0 +- 10 (ABX)
! 0.12 +/- 13.6 w/o 2 large + values - ACD
assign (segid="sbm1" and resid 46 and name n)
(segid="sbm1" and resid 46 and name ca)
(segid="sbm1" and resid 46 and name c)
(segid="sbm1" and resid 47 and name n) 1 120 60.0 2
assign (segid="sbm2" and resid 46 and name n)
(segid="sbm2" and resid 46 and name ca)
(segid="sbm2" and resid 46 and name c)
(segid="sbm2" and resid 47 and name n) 1 120 60.0 2
!too broad
!put in 120 plus/minus 60 based on NOEs 5/22/98
!I47, ave phi = -64.72, phi std = 48.26
assign (segid="sbm1" and resid 46 and name c)
(segid="sbm1" and resid 47 and name n)
(segid="sbm1" and resid 47 and name ca)
(segid="sbm1" and resid 47 and name c) 1 -80.72 40.53 2
assign (segid="sbm2" and resid 46 and name c)
(segid="sbm2" and resid 47 and name n)
(segid="sbm2" and resid 47 and name ca)
(segid="sbm2" and resid 47 and name c) 1 -80.72 40.53 2
!one (+) phi, 1JCH = 142.71
!I47, ave psi = 63.84, psi std = 81.46
!assign (segid="sbm1" and resid 47 and name n)
! (segid="sbm1" and resid 47 and name ca)
! (segid="sbm1" and resid 47 and name c)
! (segid="sbm1" and resid 48 and name n) 1 63.84 162.92 2
!assign (segid="sbm2" and resid 47 and name n)
! (segid="sbm2" and resid 47 and name ca)
! (segid="sbm2" and resid 47 and name c)
! (segid="sbm2" and resid 48 and name n) 1 63.84 162.92 2
!too broad both
!K48, ave phi = -85.91, phi std = 21.11
assign (segid="sbm1" and resid 47 and name c)
(segid="sbm1" and resid 48 and name n)
(segid="sbm1" and resid 48 and name ca)
(segid="sbm1" and resid 48 and name c) 1 -120.91 35.22 2
assign (segid="sbm2" and resid 47 and name c)
(segid="sbm2" and resid 48 and name n)
(segid="sbm2" and resid 48 and name ca)
(segid="sbm2" and resid 48 and name c) 1 -120.91 35.22 2
!change to -120 based on HNHA 5/22/98
!K48, ave psi = 19.07, psi std = 72.18
! -24.6 +/- 21.2 w/o 3 large + values
!assign (segid="sbm1" and resid 48 and name n)
! (segid="sbm1" and resid 48 and name ca)
! (segid="sbm1" and resid 48 and name c)
! (segid="sbm1" and resid 49 and name n) 1 74.6 105.4 2
!assign (segid="sbm2" and resid 48 and name n)
! (segid="sbm2" and resid 48 and name ca)
! (segid="sbm2" and resid 48 and name c)
! (segid="sbm2" and resid 49 and name n) 1 74.6 105.4 2
!too broad
!E49, ave phi = -98.81, phi std = 19.41
!assign (segid="sbm1" and resid 48 and name c)
! (segid="sbm1" and resid 49 and name n)
! (segid="sbm1" and resid 49 and name ca)
! (segid="sbm1" and resid 49 and name c) 1 -98.81 25.82 2
!assign (segid="sbm2" and resid 48 and name c)
! (segid="sbm2" and resid 49 and name n)
! (segid="sbm2" and resid 49 and name ca)
! (segid="sbm2" and resid 49 and name c) 1 -98.81 25.82 2
!E49, ave psi = 91.14, psi std = 63.98
!assign (segid="sbm1" and resid 49 and name n)
! (segid="sbm1" and resid 49 and name ca)
! (segid="sbm1" and resid 49 and name c)
! (segid="sbm1" and resid 50 and name n) 1 121.14 60 2
!assign (segid="sbm2" and resid 49 and name n)
! (segid="sbm2" and resid 49 and name ca)
! (segid="sbm2" and resid 49 and name c)
! (segid="sbm2" and resid 50 and name n) 1 121.14 60 2
!too broad ; added based on NOEs
!Q50, ave phi = -60.60, phi std = 8.55
assign (segid="sbm1" and resid 49 and name c)
(segid="sbm1" and resid 50 and name n)
(segid="sbm1" and resid 50 and name ca)
(segid="sbm1" and resid 50 and name c) 1 -60.60 14.10 2
assign (segid="sbm2" and resid 49 and name c)
(segid="sbm2" and resid 50 and name n)
(segid="sbm2" and resid 50 and name ca)
(segid="sbm2" and resid 50 and name c) 1 -60.60 14.10 2
!Q50, ave psi = -38.65, psi std = 9.89
assign (segid="sbm1" and resid 50 and name n)
(segid="sbm1" and resid 50 and name ca)
(segid="sbm1" and resid 50 and name c)
(segid="sbm1" and resid 51 and name n) 1 -38.65 15.78 2
assign (segid="sbm2" and resid 50 and name n)
(segid="sbm2" and resid 50 and name ca)
(segid="sbm2" and resid 50 and name c)
(segid="sbm2" and resid 51 and name n) 1 -38.65 15.78 2
!E51, ave phi = -61.77, phi std = 5.13
assign (segid="sbm1" and resid 50 and name c)
(segid="sbm1" and resid 51 and name n)
(segid="sbm1" and resid 51 and name ca)
(segid="sbm1" and resid 51 and name c) 1 -61.77 7.26 2
assign (segid="sbm2" and resid 50 and name c)
(segid="sbm2" and resid 51 and name n)
(segid="sbm2" and resid 51 and name ca)
(segid="sbm2" and resid 51 and name c) 1 -61.77 7.26 2
!E51, ave psi = -40.29, psi std = 5.01
assign (segid="sbm1" and resid 51 and name n)
(segid="sbm1" and resid 51 and name ca)
(segid="sbm1" and resid 51 and name c)
(segid="sbm1" and resid 52 and name n) 1 -40.29 10.02 2
assign (segid="sbm2" and resid 51 and name n)
(segid="sbm2" and resid 51 and name ca)
(segid="sbm2" and resid 51 and name c)
(segid="sbm2" and resid 52 and name n) 1 -40.29 10.02 2
!V52, ave phi = -66.35, phi std = 6.06
assign (segid="sbm1" and resid 51 and name c)
(segid="sbm1" and resid 52 and name n)
(segid="sbm1" and resid 52 and name ca)
(segid="sbm1" and resid 52 and name c) 1 -66.35 9.12 2
assign (segid="sbm2" and resid 51 and name c)
(segid="sbm2" and resid 52 and name n)
(segid="sbm2" and resid 52 and name ca)
(segid="sbm2" and resid 52 and name c) 1 -66.35 9.12 2
!V52, ave psi = -45.30, psi std = 4.54
assign (segid="sbm1" and resid 52 and name n)
(segid="sbm1" and resid 52 and name ca)
(segid="sbm1" and resid 52 and name c)
(segid="sbm1" and resid 53 and name n) 1 -45.30 6.08 2
assign (segid="sbm2" and resid 52 and name n)
(segid="sbm2" and resid 52 and name ca)
(segid="sbm2" and resid 52 and name c)
(segid="sbm2" and resid 53 and name n) 1 -45.30 6.08 2
!V53, ave phi = -63.93, phi std = 4.47
assign (segid="sbm1" and resid 52 and name c)
(segid="sbm1" and resid 53 and name n)
(segid="sbm1" and resid 53 and name ca)
(segid="sbm1" and resid 53 and name c) 1 -73.93 9.93 2
assign (segid="sbm2" and resid 52 and name c)
(segid="sbm2" and resid 53 and name n)
(segid="sbm2" and resid 53 and name ca)
(segid="sbm2" and resid 53 and name c) 1 -73.93 9.93 2
!modified on 6/2/98 based on HNHA of 6.3 Hz
!V53, ave psi = -43.71, psi std = 4.72
assign (segid="sbm1" and resid 53 and name n)
(segid="sbm1" and resid 53 and name ca)
(segid="sbm1" and resid 53 and name c)
(segid="sbm1" and resid 54 and name n) 1 -44.71 7.44 2
assign (segid="sbm2" and resid 53 and name n)
(segid="sbm2" and resid 53 and name ca)
(segid="sbm2" and resid 53 and name c)
(segid="sbm2" and resid 54 and name n) 1 -44.71 7.44 2
!D54, ave phi = -59.33, phi std = 4.19
assign (segid="sbm1" and resid 53 and name c)
(segid="sbm1" and resid 54 and name n)
(segid="sbm1" and resid 54 and name ca)
(segid="sbm1" and resid 54 and name c) 1 -59.33 5.37 2
assign (segid="sbm2" and resid 53 and name c)
(segid="sbm2" and resid 54 and name n)
(segid="sbm2" and resid 54 and name ca)
(segid="sbm2" and resid 54 and name c) 1 -59.33 5.37 2
!D54, ave psi = -40.48, psi std = 5.76
assign (segid="sbm1" and resid 54 and name n)
(segid="sbm1" and resid 54 and name ca)
(segid="sbm1" and resid 54 and name c)
(segid="sbm1" and resid 55 and name n) 1 -40.48 8.51 2
assign (segid="sbm2" and resid 54 and name n)
(segid="sbm2" and resid 54 and name ca)
(segid="sbm2" and resid 54 and name c)
(segid="sbm2" and resid 55 and name n) 1 -40.48 8.51 2
!K55, ave phi = -64.35, phi std = 4.15
assign (segid="sbm1" and resid 54 and name c)
(segid="sbm1" and resid 55 and name n)
(segid="sbm1" and resid 55 and name ca)
(segid="sbm1" and resid 55 and name c) 1 -63.35 6.30 2
assign (segid="sbm2" and resid 54 and name c)
(segid="sbm2" and resid 55 and name n)
(segid="sbm2" and resid 55 and name ca)
(segid="sbm2" and resid 55 and name c) 1 -63.35 6.30 2
!K55, ave psi = -37.91, psi std = 5.08
assign (segid="sbm1" and resid 55 and name n)
(segid="sbm1" and resid 55 and name ca)
(segid="sbm1" and resid 55 and name c)
(segid="sbm1" and resid 56 and name n) 1 -37.91 8.17 2
assign (segid="sbm2" and resid 55 and name n)
(segid="sbm2" and resid 55 and name ca)
(segid="sbm2" and resid 55 and name c)
(segid="sbm2" and resid 56 and name n) 1 -37.91 8.17 2
!V56, ave phi = -63.58, phi std = 4.63
assign (segid="sbm1" and resid 55 and name c)
(segid="sbm1" and resid 56 and name n)
(segid="sbm1" and resid 56 and name ca)
(segid="sbm1" and resid 56 and name c) 1 -63.58 9.27 2
assign (segid="sbm2" and resid 55 and name c)
(segid="sbm2" and resid 56 and name n)
(segid="sbm2" and resid 56 and name ca)
(segid="sbm2" and resid 56 and name c) 1 -63.58 9.27 2
!V56, ave psi = -43.91, psi std = 4.13
assign (segid="sbm1" and resid 56 and name n)
(segid="sbm1" and resid 56 and name ca)
(segid="sbm1" and resid 56 and name c)
(segid="sbm1" and resid 57 and name n) 1 -43.91 8.26 2
assign (segid="sbm2" and resid 56 and name n)
(segid="sbm2" and resid 56 and name ca)
(segid="sbm2" and resid 56 and name c)
(segid="sbm2" and resid 57 and name n) 1 -43.91 8.26 2
!M57, ave phi = -62.94, phi std = 4.75
assign (segid="sbm1" and resid 56 and name c)
(segid="sbm1" and resid 57 and name n)
(segid="sbm1" and resid 57 and name ca)
(segid="sbm1" and resid 57 and name c) 1 -62.94 9.50 2
assign (segid="sbm2" and resid 56 and name c)
(segid="sbm2" and resid 57 and name n)
(segid="sbm2" and resid 57 and name ca)
(segid="sbm2" and resid 57 and name c) 1 -62.94 9.50 2
!M57, ave psi = -38.11, psi std = 7.02
assign (segid="sbm1" and resid 57 and name n)
(segid="sbm1" and resid 57 and name ca)
(segid="sbm1" and resid 57 and name c)
(segid="sbm1" and resid 58 and name n) 1 -38.11 14.03 2
assign (segid="sbm2" and resid 57 and name n)
(segid="sbm2" and resid 57 and name ca)
(segid="sbm2" and resid 57 and name c)
(segid="sbm2" and resid 58 and name n) 1 -38.11 14.03 2
!E58, ave phi = -63.58, phi std = 4.44
assign (segid="sbm1" and resid 57 and name c)
(segid="sbm1" and resid 58 and name n)
(segid="sbm1" and resid 58 and name ca)
(segid="sbm1" and resid 58 and name c) 1 -63.58 6.87 2
assign (segid="sbm2" and resid 57 and name c)
(segid="sbm2" and resid 58 and name n)
(segid="sbm2" and resid 58 and name ca)
(segid="sbm2" and resid 58 and name c) 1 -63.58 6.87 2
!E58, ave psi = -43.96, psi std = 6.40
assign (segid="sbm1" and resid 58 and name n)
(segid="sbm1" and resid 58 and name ca)
(segid="sbm1" and resid 58 and name c)
(segid="sbm1" and resid 59 and name n) 1 -43.96 9.80 2
assign (segid="sbm2" and resid 58 and name n)
(segid="sbm2" and resid 58 and name ca)
(segid="sbm2" and resid 58 and name c)
(segid="sbm2" and resid 59 and name n) 1 -43.96 9.80 2
!T59, ave phi = -64.65, phi std = 3.45
assign (segid="sbm1" and resid 58 and name c)
(segid="sbm1" and resid 59 and name n)
(segid="sbm1" and resid 59 and name ca)
(segid="sbm1" and resid 59 and name c) 1 -64.65 4.89 2
assign (segid="sbm2" and resid 58 and name c)
(segid="sbm2" and resid 59 and name n)
(segid="sbm2" and resid 59 and name ca)
(segid="sbm2" and resid 59 and name c) 1 -64.65 4.89 2
!T59, ave psi = -41.47, psi std = 4.30
assign (segid="sbm1" and resid 59 and name n)
(segid="sbm1" and resid 59 and name ca)
(segid="sbm1" and resid 59 and name c)
(segid="sbm1" and resid 60 and name n) 1 -41.47 6.60 2
assign (segid="sbm2" and resid 59 and name n)
(segid="sbm2" and resid 59 and name ca)
(segid="sbm2" and resid 59 and name c)
(segid="sbm2" and resid 60 and name n) 1 -41.47 6.60 2
!L60, ave phi = -64.34, phi std = 2.61
assign (segid="sbm1" and resid 59 and name c)
(segid="sbm1" and resid 60 and name n)
(segid="sbm1" and resid 60 and name ca)
(segid="sbm1" and resid 60 and name c) 1 -64.34 4.21 2
assign (segid="sbm2" and resid 59 and name c)
(segid="sbm2" and resid 60 and name n)
(segid="sbm2" and resid 60 and name ca)
(segid="sbm2" and resid 60 and name c) 1 -64.34 4.21 2
!L60, ave psi = -39.49, psi std = 10.10
assign (segid="sbm1" and resid 60 and name n)
(segid="sbm1" and resid 60 and name ca)
(segid="sbm1" and resid 60 and name c)
(segid="sbm1" and resid 61 and name n) 1 -43.49 15.19 2
assign (segid="sbm2" and resid 60 and name n)
(segid="sbm2" and resid 60 and name ca)
(segid="sbm2" and resid 60 and name c)
(segid="sbm2" and resid 61 and name n) 1 -43.49 15.19 2
!D61, ave phi = -61.58, phi std = 8.37
assign (segid="sbm1" and resid 60 and name c)
(segid="sbm1" and resid 61 and name n)
(segid="sbm1" and resid 61 and name ca)
(segid="sbm1" and resid 61 and name c) 1 -61.58 10.73 2
assign (segid="sbm2" and resid 60 and name c)
(segid="sbm2" and resid 61 and name n)
(segid="sbm2" and resid 61 and name ca)
(segid="sbm2" and resid 61 and name c) 1 -61.58 10.73 2
!D61, ave psi = -43.99, psi std = 7.18
assign (segid="sbm1" and resid 61 and name n)
(segid="sbm1" and resid 61 and name ca)
(segid="sbm1" and resid 61 and name c)
(segid="sbm1" and resid 62 and name n) 1 -41.99 21.35 2
assign (segid="sbm2" and resid 61 and name n)
(segid="sbm2" and resid 61 and name ca)
(segid="sbm2" and resid 61 and name c)
(segid="sbm2" and resid 62 and name n) 1 -41.99 21.35 2
!Modeled in the -90,51 seen in CaM to the 2nd position rather than the 1st
!as done below (This is tentative-DJW, but seems to be working)
!
!E62, ave phi = -61.58, phi std = 8.37
assign (segid="sbm1" and resid 61 and name c)
(segid="sbm1" and resid 62 and name n)
(segid="sbm1" and resid 62 and name ca)
(segid="sbm1" and resid 62 and name c) 1 -91.58 10.73 2
assign (segid="sbm2" and resid 61 and name c)
(segid="sbm2" and resid 62 and name n)
(segid="sbm2" and resid 62 and name ca)
(segid="sbm2" and resid 62 and name c) 1 -91.58 10.73 2
!E62, ave psi = -31.97, psi std = 13.30
assign (segid="sbm1" and resid 62 and name n)
(segid="sbm1" and resid 62 and name ca)
(segid="sbm1" and resid 62 and name c)
(segid="sbm1" and resid 63 and name n) 1 51.97 10 2
assign (segid="sbm2" and resid 62 and name n)
(segid="sbm2" and resid 62 and name ca)
(segid="sbm2" and resid 62 and name c)
(segid="sbm2" and resid 63 and name n) 1 51.97 10 2
!D63, ave phi = -103.35, phi std = 24.35
!AVE = -94.1 +/- 14.7 w/o 2 large values
assign (segid="sbm1" and resid 62 and name c)
(segid="sbm1" and resid 63 and name n)
(segid="sbm1" and resid 63 and name ca)
(segid="sbm1" and resid 63 and name c) 1 -85 25 2
assign (segid="sbm2" and resid 62 and name c)
(segid="sbm2" and resid 63 and name n)
(segid="sbm2" and resid 63 and name ca)
(segid="sbm2" and resid 63 and name c) 1 -85 25 2
!-60 to -110 based on talos and HNHA data 6/2/98
!D63, ave psi = -12.54, psi std = 84.41 (probably phi/psi = -95/0 ABX)
! exclude 3 high values, 3.93 +/- 9.5
assign (segid="sbm1" and resid 63 and name n)
(segid="sbm1" and resid 63 and name ca)
(segid="sbm1" and resid 63 and name c)
(segid="sbm1" and resid 64 and name n) 1 -12.54 15.2 2 !3.93 20.0 2
assign (segid="sbm2" and resid 63 and name n)
(segid="sbm2" and resid 63 and name ca)
(segid="sbm2" and resid 63 and name c)
(segid="sbm2" and resid 64 and name n) 1 -12.54 15.2 2 !3.93 20.0 2
!G64, ave phi = 24.55, phi std = 57.83 HOMOLOGY WITH CAM SHIFTS
assign (segid="sbm1" and resid 63 and name c)
(segid="sbm1" and resid 64 and name n)
(segid="sbm1" and resid 64 and name ca)
(segid="sbm1" and resid 64 and name c) 1 50.55 10.0 2
assign (segid="sbm2" and resid 63 and name c)
(segid="sbm2" and resid 64 and name n)
(segid="sbm2" and resid 64 and name ca)
(segid="sbm2" and resid 64 and name c) 1 50.55 10.0 2
!G64, ave psi = -7.33, psi std = 52.27 HOMOLOGY WITH CAM SHIFTS
assign (segid="sbm1" and resid 64 and name n)
(segid="sbm1" and resid 64 and name ca)
(segid="sbm1" and resid 64 and name c)
(segid="sbm1" and resid 65 and name n) 1 4 5.0 2
assign (segid="sbm2" and resid 64 and name n)
(segid="sbm2" and resid 64 and name ca)
(segid="sbm2" and resid 64 and name c)
(segid="sbm2" and resid 65 and name n) 1 4 5.0 2
!both too broad with talos alone
!D65, ave phi = -92.96, phi std = 8.17
assign (segid="sbm1" and resid 64 and name c)
(segid="sbm1" and resid 65 and name n)
(segid="sbm1" and resid 65 and name ca)
(segid="sbm1" and resid 65 and name c) 1 -100 15 2 !-92.96 17.33 2
assign (segid="sbm2" and resid 64 and name c)
(segid="sbm2" and resid 65 and name n)
(segid="sbm2" and resid 65 and name ca)
(segid="sbm2" and resid 65 and name c) 1 -100 15 2 !-92.96 17.33 2
!based on CaM
!based on talos and HNHA data 6/2/98
!D65, ave psi = -4.93, psi std = 12.96
assign (segid="sbm1" and resid 65 and name n)
(segid="sbm1" and resid 65 and name ca)
(segid="sbm1" and resid 65 and name c)
(segid="sbm1" and resid 66 and name n) 10 -20 10 2 !-4.93 25.92 2
assign (segid="sbm2" and resid 65 and name n)
(segid="sbm2" and resid 65 and name ca)
(segid="sbm2" and resid 65 and name c)
(segid="sbm2" and resid 66 and name n) 10 -20 10 2 !-4.93 25.92 2
!based on CaM structure
!G66, ave phi = 57.75, phi std = 92.27 HOMOLOGY WITH CAM98/134
assign (segid="sbm1" and resid 65 and name c)
(segid="sbm1" and resid 66 and name n)
(segid="sbm1" and resid 66 and name ca)
(segid="sbm1" and resid 66 and name c) 1 95 10 2
assign (segid="sbm2" and resid 65 and name c)
(segid="sbm2" and resid 66 and name n)
(segid="sbm2" and resid 66 and name ca)
(segid="sbm2" and resid 66 and name c) 1 95 10 2
!G66, ave psi = -21.05, psi std = 90.29
assign (segid="sbm1" and resid 66 and name n)
(segid="sbm1" and resid 66 and name ca)
(segid="sbm1" and resid 66 and name c)
(segid="sbm1" and resid 67 and name n) 1 2.5 10 2 !31.5 10.0 2
assign (segid="sbm2" and resid 66 and name n)
(segid="sbm2" and resid 66 and name ca)
(segid="sbm2" and resid 66 and name c)
(segid="sbm2" and resid 67 and name n) 1 2.5 10 2 !31.5 10.0 2
!ave of calmodulin = 2.5 +/- 20.1
!E67, ave phi = -116.44, phi std = 14.67
assign (segid="sbm1" and resid 66 and name c)
(segid="sbm1" and resid 67 and name n)
(segid="sbm1" and resid 67 and name ca)
(segid="sbm1" and resid 67 and name c) 1 -116.44 22.34 2
assign (segid="sbm2" and resid 66 and name c)
(segid="sbm2" and resid 67 and name n)
(segid="sbm2" and resid 67 and name ca)
(segid="sbm2" and resid 67 and name c) 1 -116.44 22.34 2
!E67, ave psi = 118.02, psi std = 62.75
assign (segid="sbm1" and resid 67 and name n)
(segid="sbm1" and resid 67 and name ca)
(segid="sbm1" and resid 67 and name c)
(segid="sbm1" and resid 68 and name n) 1 148.02 15.50 2
assign (segid="sbm2" and resid 67 and name n)
(segid="sbm2" and resid 67 and name ca)
(segid="sbm2" and resid 67 and name c)
(segid="sbm2" and resid 68 and name n) 1 148.02 15.50 2
!C68, ave phi = -110.95, phi std = 23.22
assign (segid="sbm1" and resid 67 and name c)
(segid="sbm1" and resid 68 and name n)
(segid="sbm1" and resid 68 and name ca)
(segid="sbm1" and resid 68 and name c) 1 -110.95 10.44 2
assign (segid="sbm2" and resid 67 and name c)
(segid="sbm2" and resid 68 and name n)
(segid="sbm2" and resid 68 and name ca)
(segid="sbm2" and resid 68 and name c) 1 -110.95 10.44 2
!C68, ave psi = 108.94, psi std = 47.83
assign (segid="sbm1" and resid 68 and name n)
(segid="sbm1" and resid 68 and name ca)
(segid="sbm1" and resid 68 and name c)
(segid="sbm1" and resid 69 and name n) 1 118.94 10.67 2
assign (segid="sbm2" and resid 68 and name n)
(segid="sbm2" and resid 68 and name ca)
(segid="sbm2" and resid 68 and name c)
(segid="sbm2" and resid 69 and name n) 1 118.94 10.67 2
!D69, ave phi = -106.59, phi std = 17.54 HOMOLOG WITH CAM101/137
assign (segid="sbm1" and resid 68 and name c)
(segid="sbm1" and resid 69 and name n)
(segid="sbm1" and resid 69 and name ca)
(segid="sbm1" and resid 69 and name c) 1 -89.59 10.07 2
assign (segid="sbm2" and resid 68 and name c)
(segid="sbm2" and resid 69 and name n)
(segid="sbm2" and resid 69 and name ca)
(segid="sbm2" and resid 69 and name c) 1 -89.59 10.07 2
!D69, ave psi = 104.36, psi std = 57.06
! ave (w/o +42) = 151+/- 26.8
assign (segid="sbm1" and resid 69 and name n)
(segid="sbm1" and resid 69 and name ca)
(segid="sbm1" and resid 69 and name c)
(segid="sbm1" and resid 70 and name n) 1 174.36 10.1 2
assign (segid="sbm2" and resid 69 and name n)
(segid="sbm2" and resid 69 and name ca)
(segid="sbm2" and resid 69 and name c)
(segid="sbm2" and resid 70 and name n) 1 174.36 10.1 2
!F70, ave phi = -51.32, phi std = 32.74 homolg with cam
assign (segid="sbm1" and resid 69 and name c)
(segid="sbm1" and resid 70 and name n)
(segid="sbm1" and resid 70 and name ca)
(segid="sbm1" and resid 70 and name c) 1 -61.32 8.48 2
assign (segid="sbm2" and resid 69 and name c)
(segid="sbm2" and resid 70 and name n)
(segid="sbm2" and resid 70 and name ca)
(segid="sbm2" and resid 70 and name c) 1 -61.32 8.48 2
!one (+) phi, IJCH = 149.6
!F70, ave psi = -48.62, psi std = 22.99
assign (segid="sbm1" and resid 70 and name n)
(segid="sbm1" and resid 70 and name ca)
(segid="sbm1" and resid 70 and name c)
(segid="sbm1" and resid 71 and name n) 1 -48.62 22 2
assign (segid="sbm2" and resid 70 and name n)
(segid="sbm2" and resid 70 and name ca)
(segid="sbm2" and resid 70 and name c)
(segid="sbm2" and resid 71 and name n) 1 -48.62 22 2
!changed based on NOEs (i.e. large alpha-N) see also K29
!Q71, ave phi = -60.34, phi std = 6.50 homolog cam
assign (segid="sbm1" and resid 70 and name c)
(segid="sbm1" and resid 71 and name n)
(segid="sbm1" and resid 71 and name ca)
(segid="sbm1" and resid 71 and name c) 1 -60.34 6.00 2
assign (segid="sbm2" and resid 70 and name c)
(segid="sbm2" and resid 71 and name n)
(segid="sbm2" and resid 71 and name ca)
(segid="sbm2" and resid 71 and name c) 1 -60.34 6.00 2
!Q71, ave psi = -42.13, psi std = 10.44
assign (segid="sbm1" and resid 71 and name n)
(segid="sbm1" and resid 71 and name ca)
(segid="sbm1" and resid 71 and name c)
(segid="sbm1" and resid 72 and name n) 1 -40.13 14.88 2
assign (segid="sbm2" and resid 71 and name n)
(segid="sbm2" and resid 71 and name ca)
(segid="sbm2" and resid 71 and name c)
(segid="sbm2" and resid 72 and name n) 1 -40.13 14.88 2
!E72, ave phi = -63.17, phi std = 5.61
assign (segid="sbm1" and resid 71 and name c)
(segid="sbm1" and resid 72 and name n)
(segid="sbm1" and resid 72 and name ca)
(segid="sbm1" and resid 72 and name c) 1 -63.17 6.22 2
assign (segid="sbm2" and resid 71 and name c)
(segid="sbm2" and resid 72 and name n)
(segid="sbm2" and resid 72 and name ca)
(segid="sbm2" and resid 72 and name c) 1 -63.17 6.22 2
!E72, ave psi = -38.89, psi std = 6.94
assign (segid="sbm1" and resid 72 and name n)
(segid="sbm1" and resid 72 and name ca)
(segid="sbm1" and resid 72 and name c)
(segid="sbm1" and resid 73 and name n) 1 -38.89 8.87 2
assign (segid="sbm2" and resid 72 and name n)
(segid="sbm2" and resid 72 and name ca)
(segid="sbm2" and resid 72 and name c)
(segid="sbm2" and resid 73 and name n) 1 -38.89 8.87 2
!F73, ave phi = -63.28, phi std = 4.28
assign (segid="sbm1" and resid 72 and name c)
(segid="sbm1" and resid 73 and name n)
(segid="sbm1" and resid 73 and name ca)
(segid="sbm1" and resid 73 and name c) 1 -63.28 8.57 2
assign (segid="sbm2" and resid 72 and name c)
(segid="sbm2" and resid 73 and name n)
(segid="sbm2" and resid 73 and name ca)
(segid="sbm2" and resid 73 and name c) 1 -63.28 8.57 2
!F73, ave psi = -40.81, psi std = 12.44
assign (segid="sbm1" and resid 73 and name n)
(segid="sbm1" and resid 73 and name ca)
(segid="sbm1" and resid 73 and name c)
(segid="sbm1" and resid 74 and name n) 1 -45.81 24.89 2
assign (segid="sbm2" and resid 73 and name n)
(segid="sbm2" and resid 73 and name ca)
(segid="sbm2" and resid 73 and name c)
(segid="sbm2" and resid 74 and name n) 1 -45.81 24.89 2
!M74, ave phi = -60.69, phi std = 7.59
assign (segid="sbm1" and resid 73 and name c)
(segid="sbm1" and resid 74 and name n)
(segid="sbm1" and resid 74 and name ca)
(segid="sbm1" and resid 74 and name c) 1 -60.69 10.18 2
assign (segid="sbm2" and resid 73 and name c)
(segid="sbm2" and resid 74 and name n)
(segid="sbm2" and resid 74 and name ca)
(segid="sbm2" and resid 74 and name c) 1 -60.69 10.18 2
!M74, ave psi = -39.41, psi std = 11.58
assign (segid="sbm1" and resid 74 and name n)
(segid="sbm1" and resid 74 and name ca)
(segid="sbm1" and resid 74 and name c)
(segid="sbm1" and resid 75 and name n) 1 -39.41 13.16 2
assign (segid="sbm2" and resid 74 and name n)
(segid="sbm2" and resid 74 and name ca)
(segid="sbm2" and resid 74 and name c)
(segid="sbm2" and resid 75 and name n) 1 -39.41 13.16 2
!A75, ave phi = -63.25, phi std = 8.30
assign (segid="sbm1" and resid 74 and name c)
(segid="sbm1" and resid 75 and name n)
(segid="sbm1" and resid 75 and name ca)
(segid="sbm1" and resid 75 and name c) 1 -63.25 10.60 2
assign (segid="sbm2" and resid 74 and name c)
(segid="sbm2" and resid 75 and name n)
(segid="sbm2" and resid 75 and name ca)
(segid="sbm2" and resid 75 and name c) 1 -63.25 10.60 2
!A75, ave psi = -43.43, psi std = 8.57
assign (segid="sbm1" and resid 75 and name n)
(segid="sbm1" and resid 75 and name ca)
(segid="sbm1" and resid 75 and name c)
(segid="sbm1" and resid 76 and name n) 1 -43.43 10.14 2
assign (segid="sbm2" and resid 75 and name n)
(segid="sbm2" and resid 75 and name ca)
(segid="sbm2" and resid 75 and name c)
(segid="sbm2" and resid 76 and name n) 1 -43.43 10.14 2
!F76, ave phi = -62.53, phi std = 4.91
assign (segid="sbm1" and resid 75 and name c)
(segid="sbm1" and resid 76 and name n)
(segid="sbm1" and resid 76 and name ca)
(segid="sbm1" and resid 76 and name c) 1 -62.53 6.81 2
assign (segid="sbm2" and resid 75 and name c)
(segid="sbm2" and resid 76 and name n)
(segid="sbm2" and resid 76 and name ca)
(segid="sbm2" and resid 76 and name c) 1 -62.53 6.81 2
!F76, ave psi = -45.28, psi std = 6.98
assign (segid="sbm1" and resid 76 and name n)
(segid="sbm1" and resid 76 and name ca)
(segid="sbm1" and resid 76 and name c)
(segid="sbm1" and resid 77 and name n) 1 -45.28 10.96 2
assign (segid="sbm2" and resid 76 and name n)
(segid="sbm2" and resid 76 and name ca)
(segid="sbm2" and resid 76 and name c)
(segid="sbm2" and resid 77 and name n) 1 -45.28 10.96 2
!V77, ave phi = -64.69, phi std = 5.85
assign (segid="sbm1" and resid 76 and name c)
(segid="sbm1" and resid 77 and name n)
(segid="sbm1" and resid 77 and name ca)
(segid="sbm1" and resid 77 and name c) 1 -64.69 8.69 2
assign (segid="sbm2" and resid 76 and name c)
(segid="sbm2" and resid 77 and name n)
(segid="sbm2" and resid 77 and name ca)
(segid="sbm2" and resid 77 and name c) 1 -64.69 8.69 2
!V77, ave psi = -46.65, psi std = 6.87
assign (segid="sbm1" and resid 77 and name n)
(segid="sbm1" and resid 77 and name ca)
(segid="sbm1" and resid 77 and name c)
(segid="sbm1" and resid 78 and name n) 1 -46.65 10.74 2
assign (segid="sbm2" and resid 77 and name n)
(segid="sbm2" and resid 77 and name ca)
(segid="sbm2" and resid 77 and name c)
(segid="sbm2" and resid 78 and name n) 1 -46.65 10.74 2
!S78, ave phi = -62.29, phi std = 5.73
assign (segid="sbm1" and resid 77 and name c)
(segid="sbm1" and resid 78 and name n)
(segid="sbm1" and resid 78 and name ca)
(segid="sbm1" and resid 78 and name c) 1 -62.29 7.46 2
assign (segid="sbm2" and resid 77 and name c)
(segid="sbm2" and resid 78 and name n)
(segid="sbm2" and resid 78 and name ca)
(segid="sbm2" and resid 78 and name c) 1 -62.29 7.46 2
!S78, ave psi = -44.90, psi std = 5.34
assign (segid="sbm1" and resid 78 and name n)
(segid="sbm1" and resid 78 and name ca)
(segid="sbm1" and resid 78 and name c)
(segid="sbm1" and resid 79 and name n) 1 -44.90 7.67 2
assign (segid="sbm2" and resid 78 and name n)
(segid="sbm2" and resid 78 and name ca)
(segid="sbm2" and resid 78 and name c)
(segid="sbm2" and resid 79 and name n) 1 -44.90 7.67 2
!M79, ave phi = -60.94, phi std = 6.18
assign (segid="sbm1" and resid 78 and name c)
(segid="sbm1" and resid 79 and name n)
(segid="sbm1" and resid 79 and name ca)
(segid="sbm1" and resid 79 and name c) 1 -60.94 7.35 2
assign (segid="sbm2" and resid 78 and name c)
(segid="sbm2" and resid 79 and name n)
(segid="sbm2" and resid 79 and name ca)
(segid="sbm2" and resid 79 and name c) 1 -60.94 7.35 2
!M79, ave psi = -46.23, psi std = 5.50
assign (segid="sbm1" and resid 79 and name n)
(segid="sbm1" and resid 79 and name ca)
(segid="sbm1" and resid 79 and name c)
(segid="sbm1" and resid 80 and name n) 1 -46.23 7.00 2
assign (segid="sbm2" and resid 79 and name n)
(segid="sbm2" and resid 79 and name ca)
(segid="sbm2" and resid 79 and name c)
(segid="sbm2" and resid 80 and name n) 1 -46.23 7.00 2
!V80, ave phi = -63.63, phi std = 5.72
assign (segid="sbm1" and resid 79 and name c)
(segid="sbm1" and resid 80 and name n)
(segid="sbm1" and resid 80 and name ca)
(segid="sbm1" and resid 80 and name c) 1 -63.63 7.44 2
assign (segid="sbm2" and resid 79 and name c)
(segid="sbm2" and resid 80 and name n)
(segid="sbm2" and resid 80 and name ca)
(segid="sbm2" and resid 80 and name c) 1 -63.63 7.44 2
!V80, ave psi = -45.62, psi std = 7.27
assign (segid="sbm1" and resid 80 and name n)
(segid="sbm1" and resid 80 and name ca)
(segid="sbm1" and resid 80 and name c)
(segid="sbm1" and resid 81 and name n) 1 -45.62 10.54 2
assign (segid="sbm2" and resid 80 and name n)
(segid="sbm2" and resid 80 and name ca)
(segid="sbm2" and resid 80 and name c)
(segid="sbm2" and resid 81 and name n) 1 -45.62 10.54 2
!T81, ave phi = -62.48, phi std = 3.65
assign (segid="sbm1" and resid 80 and name c)
(segid="sbm1" and resid 81 and name n)
(segid="sbm1" and resid 81 and name ca)
(segid="sbm1" and resid 81 and name c) 1 -62.48 5.30 2
assign (segid="sbm2" and resid 80 and name c)
(segid="sbm2" and resid 81 and name n)
(segid="sbm2" and resid 81 and name ca)
(segid="sbm2" and resid 81 and name c) 1 -62.48 5.30 2
!T81, ave psi = -44.73, psi std = 3.87
assign (segid="sbm1" and resid 81 and name n)
(segid="sbm1" and resid 81 and name ca)
(segid="sbm1" and resid 81 and name c)
(segid="sbm1" and resid 82 and name n) 1 -44.73 5.75 2
assign (segid="sbm2" and resid 81 and name n)
(segid="sbm2" and resid 81 and name ca)
(segid="sbm2" and resid 81 and name c)
(segid="sbm2" and resid 82 and name n) 1 -44.73 5.75 2
!T82, ave phi = -60.26, phi std = 5.37
assign (segid="sbm1" and resid 81 and name c)
(segid="sbm1" and resid 82 and name n)
(segid="sbm1" and resid 82 and name ca)
(segid="sbm1" and resid 82 and name c) 1 -60.26 10.74 2
assign (segid="sbm2" and resid 81 and name c)
(segid="sbm2" and resid 82 and name n)
(segid="sbm2" and resid 82 and name ca)
(segid="sbm2" and resid 82 and name c) 1 -60.26 10.74 2
!T82, ave psi = -38.82, psi std = 8.82
assign (segid="sbm1" and resid 82 and name n)
(segid="sbm1" and resid 82 and name ca)
(segid="sbm1" and resid 82 and name c)
(segid="sbm1" and resid 83 and name n) 1 -38.82 11.65 2
assign (segid="sbm2" and resid 82 and name n)
(segid="sbm2" and resid 82 and name ca)
(segid="sbm2" and resid 82 and name c)
(segid="sbm2" and resid 83 and name n) 1 -38.82 11.65 2
!A83, ave phi = -76.96, phi std = 62.45
assign (segid="sbm1" and resid 82 and name c)
(segid="sbm1" and resid 83 and name n)
(segid="sbm1" and resid 83 and name ca)
(segid="sbm1" and resid 83 and name c) 1 -95 38 2
assign (segid="sbm2" and resid 82 and name c)
(segid="sbm2" and resid 83 and name n)
(segid="sbm2" and resid 83 and name ca)
(segid="sbm2" and resid 83 and name c) 1 -95 38 2
!one (+) phi, 1JCH = 143.0, ave = -95 +/- 25.4 w/o it
!A83, ave psi = -2.23, psi std = 89.78
! ave = -20 +/- 20 w/o 3 in beta region
assign (segid="sbm1" and resid 83 and name n)
(segid="sbm1" and resid 83 and name ca)
(segid="sbm1" and resid 83 and name c)
(segid="sbm1" and resid 84 and name n) 1 -20.23 30 2
assign (segid="sbm2" and resid 83 and name n)
(segid="sbm2" and resid 83 and name ca)
(segid="sbm2" and resid 83 and name c)
(segid="sbm2" and resid 84 and name n) 1 -20.23 30 2
!C84, ave phi = -80.82, phi std = 14.88
assign (segid="sbm1" and resid 83 and name c)
(segid="sbm1" and resid 84 and name n)
(segid="sbm1" and resid 84 and name ca)
(segid="sbm1" and resid 84 and name c) 1 -105.82 29.76 2
assign (segid="sbm2" and resid 83 and name c)
(segid="sbm2" and resid 84 and name n)
(segid="sbm2" and resid 84 and name ca)
(segid="sbm2" and resid 84 and name c) 1 -105.82 29.76 2
!C84, ave psi = 44.65, psi std = 93.04
assign (segid="sbm1" and resid 84 and name n)
(segid="sbm1" and resid 84 and name ca)
(segid="sbm1" and resid 84 and name c)
(segid="sbm1" and resid 85 and name n) 1 60 90 2
assign (segid="sbm2" and resid 84 and name n)
(segid="sbm2" and resid 84 and name ca)
(segid="sbm2" and resid 84 and name c)
(segid="sbm2" and resid 85 and name n) 1 60 90 2
!too broad
!H85, ave phi = -53.22, phi std = 63.77
!assign (segid="sbm1" and resid 84 and name c)
! (segid="sbm1" and resid 85 and name n)
! (segid="sbm1" and resid 85 and name ca)
! (segid="sbm1" and resid 85 and name c) 1 -53.22 127.54 2
!assign (segid="sbm2" and resid 84 and name c)
! (segid="sbm2" and resid 85 and name n)
! (segid="sbm2" and resid 85 and name ca)
! (segid="sbm2" and resid 85 and name c) 1 -53.22 127.54 2
!
!H85, ave psi = 12.66, psi std = 95.27
!assign (segid="sbm1" and resid 85 and name n)
! (segid="sbm1" and resid 85 and name ca)
! (segid="sbm1" and resid 85 and name c)
! (segid="sbm1" and resid 86 and name n) 1 12.66 190.54 2
!assign (segid="sbm2" and resid 85 and name n)
! (segid="sbm2" and resid 85 and name ca)
! (segid="sbm2" and resid 85 and name c)
! (segid="sbm2" and resid 86 and name n) 1 12.66 190.54 2
!no chem shift data
!E86, ave phi = -79.62, phi std = 29.71
!assign (segid="sbm1" and resid 85 and name c)
! (segid="sbm1" and resid 86 and name n)
! (segid="sbm1" and resid 86 and name ca)
! (segid="sbm1" and resid 86 and name c) 1 -79.62 59.43 2
!assign (segid="sbm2" and resid 85 and name c)
! (segid="sbm2" and resid 86 and name n)
! (segid="sbm2" and resid 86 and name ca)
! (segid="sbm2" and resid 86 and name c) 1 -79.62 59.43 2
!E86, ave psi = -10.49, psi std = 55.70
!assign (segid="sbm1" and resid 86 and name n)
! (segid="sbm1" and resid 86 and name ca)
! (segid="sbm1" and resid 86 and name c)
! (segid="sbm1" and resid 87 and name n) 1 -10.49 111.41 2
!assign (segid="sbm2" and resid 86 and name n)
! (segid="sbm2" and resid 86 and name ca)
! (segid="sbm2" and resid 86 and name c)
! (segid="sbm2" and resid 87 and name n) 1 -10.49 111.41 2
! no chem shift data
!F87, ave phi = -50.22, phi std = 42.50
assign (segid="sbm1" and resid 86 and name c)
(segid="sbm1" and resid 87 and name n)
(segid="sbm1" and resid 87 and name ca)
(segid="sbm1" and resid 87 and name c) 1 -65.22 5.00 2
assign (segid="sbm2" and resid 86 and name c)
(segid="sbm2" and resid 87 and name n)
(segid="sbm2" and resid 87 and name ca)
(segid="sbm2" and resid 87 and name c) 1 -65.22 5.00 2
!one (+) phi, 1JCH = 149.8
!F87, ave psi = -17.24, psi std = 59.87
assign (segid="sbm1" and resid 87 and name n)
(segid="sbm1" and resid 87 and name ca)
(segid="sbm1" and resid 87 and name c)
(segid="sbm1" and resid 88 and name n) 1 -40.24 12.6 2
assign (segid="sbm2" and resid 87 and name n)
(segid="sbm2" and resid 87 and name ca)
(segid="sbm2" and resid 87 and name c)
(segid="sbm2" and resid 88 and name n) 1 -40.24 12.6 2
!F88, ave phi = -74.80, phi std = 13.24
assign (segid="sbm1" and resid 87 and name c)
(segid="sbm1" and resid 88 and name n)
(segid="sbm1" and resid 88 and name ca)
(segid="sbm1" and resid 88 and name c) 1 -74.80 20.47 2
assign (segid="sbm2" and resid 87 and name c)
(segid="sbm2" and resid 88 and name n)
(segid="sbm2" and resid 88 and name ca)
(segid="sbm2" and resid 88 and name c) 1 -74.80 20.47 2
!F88, ave psi = -16.07, psi std = 16.77
assign (segid="sbm1" and resid 88 and name n)
(segid="sbm1" and resid 88 and name ca)
(segid="sbm1" and resid 88 and name c)
(segid="sbm1" and resid 89 and name n) 1 -16.07 23.54 2
assign (segid="sbm2" and resid 88 and name n)
(segid="sbm2" and resid 88 and name ca)
(segid="sbm2" and resid 88 and name c)
(segid="sbm2" and resid 89 and name n) 1 -16.07 23.54 2
!E89, ave phi = -87.02, phi std = 27.87
assign (segid="sbm1" and resid 88 and name c)
(segid="sbm1" and resid 89 and name n)
(segid="sbm1" and resid 89 and name ca)
(segid="sbm1" and resid 89 and name c) 1 -75.02 30.74 2
assign (segid="sbm2" and resid 88 and name c)
(segid="sbm2" and resid 89 and name n)
(segid="sbm2" and resid 89 and name ca)
(segid="sbm2" and resid 89 and name c) 1 -75.02 30.74 2
!E89, ave psi = 62.52, psi std = 89.41
assign (segid="sbm1" and resid 89 and name n)
(segid="sbm1" and resid 89 and name ca)
(segid="sbm1" and resid 89 and name c)
(segid="sbm1" and resid 90 and name n) 1 62.52 90 2
assign (segid="sbm2" and resid 89 and name n)
(segid="sbm2" and resid 89 and name ca)
(segid="sbm2" and resid 89 and name c)
(segid="sbm2" and resid 90 and name n) 1 62.52 90 2
!too broad; based on NOEs 5/22/98
!H90, ave phi = -85.70, phi std = 14.41
assign (segid="sbm1" and resid 89 and name c)
(segid="sbm1" and resid 90 and name n)
(segid="sbm1" and resid 90 and name ca)
(segid="sbm1" and resid 90 and name c) 1 -80.70 20.81 2
assign (segid="sbm2" and resid 89 and name c)
(segid="sbm2" and resid 90 and name n)
(segid="sbm2" and resid 90 and name ca)
(segid="sbm2" and resid 90 and name c) 1 -80.70 20.81 2
!H90, ave psi = 87.22, psi std = 66.88
assign (segid="sbm1" and resid 90 and name n)
(segid="sbm1" and resid 90 and name ca)
(segid="sbm1" and resid 90 and name c)
(segid="sbm1" and resid 91 and name n) 1 60 90 2
assign (segid="sbm2" and resid 90 and name n)
(segid="sbm2" and resid 90 and name ca)
(segid="sbm2" and resid 90 and name c)
(segid="sbm2" and resid 91 and name n) 1 60 90 2
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