NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
26175 |
2kfu   |
16248 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!Unambiguous distance restraints for Rv1827_pThr_22
!
!Amino acid numbering is +5 with respect to the
! Rv1827 gene numbering due to the addition of
! 5 residues at the N-terminus of the protein
! from the pGEX 6P1 expression vector
!
!
!
ASSI { 1447} (( segid " " and resid 26 and name HB )) ( segid " " and resid 26 and name HG2%) 2.100 0.600 0.600 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.13125E-01 ppm1 4.066 ppm2 1.320 CV 1
ASSI { 1448} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HA )) 2.000 0.500 0.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.21957E-01 ppm1 1.332 ppm2 4.105 CV 1
ASSI { 5005} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 98 and name HA )) 3.900 1.900 1.900 peak 5005 spectrum 1 weight 0.10000E+01 volume 0.14040E-02 ppm1 1.316 ppm2 4.477 CV 1
ASSI { 5006} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 29 and name HN )) 3.100 1.200 1.200 peak 5006 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 1.333 ppm2 8.427 CV 1
ASSI { 7346} (( segid " " and resid 26 and name HB )) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 7346 spectrum 1 weight 0.10000E+01 volume 0.23064E-02 ppm1 4.066 ppm2 9.779 CV 1
ASSI { 7788} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 26 and name HN )) 4.000 2.000 2.000 peak 7788 spectrum 1 weight 0.10000E+01 volume 0.97924E-03 ppm1 1.401 ppm2 8.037 CV 1
ASSI { 7798} ( segid " " and resid 26 and name HG2%) (( segid " " and resid 27 and name HN )) 2.000 0.500 0.500 peak 7798 spectrum 1 weight 0.10000E+01 volume 0.76917E-02 ppm1 1.331 ppm2 9.778 CV 1
ASSI { 1457} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 27 and name HA )) 2.300 0.600 0.600 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.75460E-02 ppm1 1.384 ppm2 4.323 CV 1
ASSI { 473} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 3.500 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.95683E-03 ppm1 9.756 ppm2 8.040 CV 1
ASSI { 478} (( segid " " and resid 27 and name HN )) (( segid " " and resid 121 and name HB3 )) 4.900 3.000 1.100 peak 478 spectrum 1 weight 0.10000E+01 volume 0.47175E-03 ppm1 9.756 ppm2 1.695 CV 1
ASSI { 480} (( segid " " and resid 27 and name HN )) ( segid " " and resid 121 and name HD1%) 3.700 1.700 1.700 peak 480 spectrum 1 weight 0.10000E+01 volume 0.59659E-03 ppm1 9.756 ppm2 0.853 CV 1
ASSI { 5011} (( segid " " and resid 27 and name HA )) ( segid " " and resid 121 and name HD2%) 3.600 1.700 1.700 peak 5011 spectrum 1 weight 0.10000E+01 volume 0.12557E-02 ppm1 4.289 ppm2 0.658 CV 1
ASSI { 5012} (( segid " " and resid 27 and name HB )) (( segid " " and resid 121 and name HB3 )) 3.900 1.900 1.900 peak 5012 spectrum 1 weight 0.10000E+01 volume 0.98042E-03 ppm1 4.242 ppm2 1.717 CV 1
ASSI { 5014} (( segid " " and resid 27 and name HB )) ( segid " " and resid 121 and name HD1%) 3.000 1.100 1.100 peak 5014 spectrum 1 weight 0.10000E+01 volume 0.19823E-02 ppm1 4.242 ppm2 0.883 CV 1
ASSI { 5015} (( segid " " and resid 27 and name HB )) ( segid " " and resid 121 and name HD2%) 2.500 0.800 0.800 peak 5015 spectrum 1 weight 0.10000E+01 volume 0.33834E-02 ppm1 4.242 ppm2 0.663 CV 1
ASSI { 5017} ( segid " " and resid 27 and name HG2%) ( segid " " and resid 121 and name HD2%) 3.000 1.100 1.100 peak 5017 spectrum 1 weight 0.10000E+01 volume 0.66463E-02 ppm1 1.398 ppm2 0.647 CV 1
ASSI { 5018} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 5018 spectrum 1 weight 0.10000E+01 volume 0.32411E-02 ppm1 1.399 ppm2 4.433 CV 1
ASSI { 5019} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 5019 spectrum 1 weight 0.10000E+01 volume 0.19180E-02 ppm1 1.397 ppm2 4.007 CV 1
ASSI { 5021} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 100 and name HA )) 3.000 1.100 1.100 peak 5021 spectrum 1 weight 0.10000E+01 volume 0.21067E-02 ppm1 1.386 ppm2 5.150 CV 1
ASSI { 5022} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 99 and name HN )) 2.900 1.000 1.000 peak 5022 spectrum 1 weight 0.10000E+01 volume 0.20239E-02 ppm1 1.386 ppm2 8.553 CV 1
ASSI { 5024} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 86 and name HN )) 3.900 1.900 1.900 peak 5024 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 1.399 ppm2 8.244 CV 1
ASSI { 6128} (( segid " " and resid 27 and name HA )) (( segid " " and resid 97 and name HA )) 3.700 1.700 1.700 peak 6128 spectrum 1 weight 0.10000E+01 volume 0.13863E-02 ppm1 4.289 ppm2 3.965 CV 1
ASSI { 6170} (( segid " " and resid 27 and name HB )) ( segid " " and resid 26 and name HG2%) 3.000 1.200 1.200 peak 6170 spectrum 1 weight 0.10000E+01 volume 0.44545E-02 ppm1 4.242 ppm2 1.314 CV 1
ASSI { 7234} (( segid " " and resid 27 and name HB )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 7234 spectrum 1 weight 0.10000E+01 volume 0.22351E-02 ppm1 4.242 ppm2 9.806 CV 1
ASSI { 7550} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 2.800 1.000 1.000 peak 7550 spectrum 1 weight 0.10000E+01 volume 0.13670E-02 ppm1 4.289 ppm2 9.785 CV 1
ASSI { 7806} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 28 and name HB3 )) 3.800 1.800 1.800 peak 7806 spectrum 1 weight 0.10000E+01 volume 0.17682E-02 ppm1 1.398 ppm2 3.459 CV 1
ASSI { 7808} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 121 and name HN )) 3.500 1.500 1.500 peak 7808 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 1.395 ppm2 8.049 CV 1
ASSI { 7809} ( segid " " and resid 27 and name HG2%) (( segid " " and resid 27 and name HN )) 3.200 1.300 1.300 peak 7809 spectrum 1 weight 0.10000E+01 volume 0.19079E-02 ppm1 1.398 ppm2 9.754 CV 1
ASSI { 1386} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 3.700 1.700 1.700 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.69501E-03 ppm1 8.327 ppm2 9.747 CV 1
ASSI { 647} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.300 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.57089E-02 ppm1 8.327 ppm2 4.286 CV 1
ASSI { 6939} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 2.400 0.700 0.700 peak 6939 spectrum 1 weight 0.10000E+01 volume 0.66343E-02 ppm1 3.596 ppm2 4.504 CV 1
ASSI { 6941} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HB3 )) 1.600 0.300 0.600 peak 6941 spectrum 1 weight 0.10000E+01 volume 0.28051E-01 ppm1 3.596 ppm2 3.475 CV 1
ASSI { 6952} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 29 and name HA )) 3.600 1.600 1.600 peak 6952 spectrum 1 weight 0.10000E+01 volume 0.75390E-03 ppm1 3.472 ppm2 4.161 CV 1
ASSI { 6953} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 28 and name HA )) 2.500 0.800 0.800 peak 6953 spectrum 1 weight 0.10000E+01 volume 0.55893E-02 ppm1 3.472 ppm2 4.497 CV 1
ASSI { 8263} (( segid " " and resid 28 and name HB3 )) (( segid " " and resid 29 and name HB )) 4.200 2.200 1.800 peak 8263 spectrum 1 weight 0.10000E+01 volume 0.70692E-03 ppm1 3.491 ppm2 1.930 CV 1
ASSI { 8269} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HB )) 3.500 1.600 1.600 peak 8269 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 3.616 ppm2 1.941 CV 1
ASSI { 1472} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HG2%) 2.400 0.700 0.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.59644E-02 ppm1 4.190 ppm2 0.909 CV 1
ASSI { 1474} (( segid " " and resid 29 and name HB )) ( segid " " and resid 29 and name HG2%) 2.100 0.600 0.600 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.12802E-01 ppm1 1.924 ppm2 0.882 CV 1
ASSI { 1476} (( segid " " and resid 29 and name HB )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 1.924 ppm2 4.183 CV 1
ASSI { 1477} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HB )) 2.000 0.500 0.500 peak 1477 spectrum 1 weight 0.10000E+01 volume 0.17589E-01 ppm1 1.037 ppm2 1.923 CV 1
ASSI { 1479} ( segid " " and resid 29 and name HG1%) ( segid " " and resid 29 and name HG2%) 1.800 0.400 0.400 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.44645E-01 ppm1 1.038 ppm2 0.874 CV 1
ASSI { 1480} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.11755E-01 ppm1 1.037 ppm2 4.190 CV 1
ASSI { 454} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA )) 2.200 0.600 0.600 peak 454 spectrum 1 weight 0.10000E+01 volume 0.83551E-02 ppm1 8.379 ppm2 4.499 CV 1
ASSI { 455} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.800 1.000 1.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.20888E-02 ppm1 8.379 ppm2 4.192 CV 1
ASSI { 456} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HB2 )) 3.700 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.19515E-02 ppm1 8.379 ppm2 3.566 CV 1
ASSI { 457} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB )) 2.300 0.600 0.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.59811E-02 ppm1 8.379 ppm2 1.897 CV 1
ASSI { 460} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HG2%) 3.200 1.300 1.300 peak 460 spectrum 1 weight 0.10000E+01 volume 0.32923E-02 ppm1 8.379 ppm2 0.909 CV 1
ASSI { 5033} (( segid " " and resid 29 and name HA )) (( segid " " and resid 146 and name HB2 )) 4.100 2.100 1.900 peak 5033 spectrum 1 weight 0.10000E+01 volume 0.12637E-02 ppm1 4.190 ppm2 1.332 CV 1
ASSI { 5039} ( segid " " and resid 29 and name HG1%) ( segid " " and resid 121 and name HD2%) 2.400 0.700 0.700 peak 5039 spectrum 1 weight 0.10000E+01 volume 0.14878E-01 ppm1 1.051 ppm2 0.671 CV 1
ASSI { 5043} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 28 and name HB3 )) 3.900 1.900 1.900 peak 5043 spectrum 1 weight 0.10000E+01 volume 0.10036E-02 ppm1 1.051 ppm2 3.484 CV 1
ASSI { 5045} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 122 and name HA )) 3.900 1.900 1.900 peak 5045 spectrum 1 weight 0.10000E+01 volume 0.79218E-03 ppm1 1.037 ppm2 4.983 CV 1
ASSI { 7797} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 29 and name HN )) 2.100 0.600 0.600 peak 7797 spectrum 1 weight 0.10000E+01 volume 0.15344E-01 ppm1 1.050 ppm2 8.415 CV 1
ASSI { 8023} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 2.200 0.600 0.600 peak 8023 spectrum 1 weight 0.10000E+01 volume 0.72866E-02 ppm1 4.190 ppm2 8.523 CV 1
ASSI { 8025} ( segid " " and resid 29 and name HG1%) (( segid " " and resid 30 and name HB3 )) 4.000 2.000 2.000 peak 8025 spectrum 1 weight 0.10000E+01 volume 0.86365E-03 ppm1 1.050 ppm2 2.741 CV 1
ASSI { 1486} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.800 1.000 1.000 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.28529E-02 ppm1 4.554 ppm2 3.032 CV 1
ASSI { 1487} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB3 )) 2.900 1.000 1.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.27886E-02 ppm1 4.554 ppm2 2.749 CV 1
ASSI { 1490} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB3 )) 2.100 0.500 0.500 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.45910E-02 ppm1 3.036 ppm2 2.749 CV 1
ASSI { 325} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB )) 3.700 1.700 1.700 peak 325 spectrum 1 weight 0.10000E+01 volume 0.10645E-02 ppm1 8.494 ppm2 1.925 CV 1
ASSI { 5054} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HD% ) 2.600 0.900 0.900 peak 5054 spectrum 1 weight 0.10000E+01 volume 0.42007E-02 ppm1 4.555 ppm2 7.014 CV 1
ASSI { 6146} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 98 and name HB )) 4.200 2.200 1.800 peak 6146 spectrum 1 weight 0.10000E+01 volume 0.87510E-03 ppm1 3.037 ppm2 3.967 CV 1
ASSI { 6393} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB3 )) 2.300 0.700 0.700 peak 6393 spectrum 1 weight 0.10000E+01 volume 0.66047E-02 ppm1 7.019 ppm2 2.757 CV 1
ASSI { 6445} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 30 and name HA )) 4.500 2.600 1.500 peak 6445 spectrum 1 weight 0.10000E+01 volume 0.55290E-03 ppm1 6.882 ppm2 4.549 CV 1
ASSI { 7046} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 7046 spectrum 1 weight 0.10000E+01 volume 0.17223E-02 ppm1 3.036 ppm2 8.529 CV 1
ASSI { 7065} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 4.400 2.400 1.600 peak 7065 spectrum 1 weight 0.10000E+01 volume 0.57391E-03 ppm1 3.036 ppm2 7.856 CV 1
ASSI { 7076} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.800 0.900 0.900 peak 7076 spectrum 1 weight 0.10000E+01 volume 0.34862E-02 ppm1 3.036 ppm2 7.013 CV 1
ASSI { 7746} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 146 and name HE3 )) 3.300 1.400 1.400 peak 7746 spectrum 1 weight 0.10000E+01 volume 0.18419E-02 ppm1 7.012 ppm2 2.442 CV 1
ASSI { 7828} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.600 0.800 0.800 peak 7828 spectrum 1 weight 0.10000E+01 volume 0.32667E-02 ppm1 4.555 ppm2 8.525 CV 1
ASSI { 8030} (( segid " " and resid 30 and name HB3 )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 8030 spectrum 1 weight 0.10000E+01 volume 0.17326E-02 ppm1 2.745 ppm2 8.542 CV 1
ASSI { 2167} (( segid " " and resid 31 and name HE )) (( segid " " and resid 31 and name HA )) 3.100 3.100 2.900 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.33091E-02 ppm1 7.153 ppm2 3.038 CV 1
ASSI { 286} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 3.600 1.600 1.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.91265E-03 ppm1 7.818 ppm2 8.504 CV 1
ASSI { 287} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD% ) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.19338E-02 ppm1 7.818 ppm2 7.007 CV 1
ASSI { 288} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.67749E-02 ppm1 7.818 ppm2 4.550 CV 1
ASSI { 6339} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HG3 )) 2.300 0.700 0.700 peak 6339 spectrum 1 weight 0.10000E+01 volume 0.80177E-02 ppm1 1.340 ppm2 0.879 CV 1
ASSI { 8312} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 8312 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 3.014 ppm2 2.107 CV 1
ASSI { 8313} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB3 )) 3.100 1.200 1.200 peak 8313 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 3.014 ppm2 1.422 CV 1
ASSI { 8326} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 37 and name HB2 )) 3.200 1.300 1.300 peak 8326 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 1.216 ppm2 2.024 CV 1
ASSI { 8327} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HB3 )) 2.900 1.100 1.100 peak 8327 spectrum 1 weight 0.10000E+01 volume 0.17656E-02 ppm1 1.216 ppm2 1.369 CV 1
ASSI { 8329} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HG3 )) 2.100 0.600 0.600 peak 8329 spectrum 1 weight 0.10000E+01 volume 0.39369E-02 ppm1 1.216 ppm2 0.878 CV 1
ASSI { 8333} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HB2 )) 2.900 1.100 1.100 peak 8333 spectrum 1 weight 0.10000E+01 volume 0.15852E-02 ppm1 0.889 ppm2 2.090 CV 1
ASSI { 8340} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HG3 )) 2.500 0.800 0.800 peak 8340 spectrum 1 weight 0.10000E+01 volume 0.40395E-02 ppm1 2.912 ppm2 0.889 CV 1
ASSI { 8341} (( segid " " and resid 31 and name HD2 )) (( segid " " and resid 31 and name HG2 )) 2.600 0.800 0.800 peak 8341 spectrum 1 weight 0.10000E+01 volume 0.40495E-02 ppm1 2.912 ppm2 1.233 CV 1
ASSI { 8344} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 32 and name HN )) 2.600 0.900 0.900 peak 8344 spectrum 1 weight 0.10000E+01 volume 0.35613E-02 ppm1 1.434 ppm2 7.866 CV 1
ASSI { 1496} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 32 and name HA )) 1.900 0.400 0.400 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.14601E-01 ppm1 0.558 ppm2 3.453 CV 1
ASSI { 366} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.400 0.700 0.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.35357E-02 ppm1 7.838 ppm2 3.458 CV 1
ASSI { 367} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.300 1.400 1.400 peak 367 spectrum 1 weight 0.10000E+01 volume 0.94237E-03 ppm1 7.838 ppm2 3.035 CV 1
ASSI { 370} (( segid " " and resid 32 and name HN )) ( segid " " and resid 32 and name HB% ) 2.200 0.600 0.600 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10573E-01 ppm1 7.838 ppm2 0.540 CV 1
ASSI { 6064} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 31 and name HB3 )) 3.400 1.500 1.500 peak 6064 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 0.560 ppm2 1.409 CV 1
ASSI { 6066} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 143 and name HG2 )) 3.600 1.600 1.600 peak 6066 spectrum 1 weight 0.10000E+01 volume 0.85531E-03 ppm1 0.560 ppm2 2.489 CV 1
ASSI { 6069} ( segid " " and resid 32 and name HB% ) ( segid " " and resid 34 and name HD% ) 2.400 0.700 0.700 peak 6069 spectrum 1 weight 0.10000E+01 volume 0.68498E-02 ppm1 0.558 ppm2 7.008 CV 1
ASSI { 6175} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 146 and name HB3 )) 2.500 0.800 0.800 peak 6175 spectrum 1 weight 0.10000E+01 volume 0.47649E-02 ppm1 0.560 ppm2 0.794 CV 1
ASSI { 6416} ( segid " " and resid 32 and name HB% ) ( segid " " and resid 34 and name HE% ) 2.300 0.700 0.700 peak 6416 spectrum 1 weight 0.10000E+01 volume 0.50297E-02 ppm1 0.558 ppm2 6.907 CV 1
ASSI { 7942} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 143 and name HE21)) 3.200 1.300 1.300 peak 7942 spectrum 1 weight 0.10000E+01 volume 0.15903E-02 ppm1 0.558 ppm2 7.665 CV 1
ASSI { 7950} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 34 and name HB2 )) 3.900 1.900 1.900 peak 7950 spectrum 1 weight 0.10000E+01 volume 0.81543E-03 ppm1 0.560 ppm2 3.075 CV 1
ASSI { 8196} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HA )) 3.300 1.400 1.400 peak 8196 spectrum 1 weight 0.10000E+01 volume 0.12933E-02 ppm1 3.478 ppm2 4.386 CV 1
ASSI { 1498} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB3 )) 2.300 0.700 0.700 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.72351E-02 ppm1 4.368 ppm2 2.409 CV 1
ASSI { 1502} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HB2 )) 1.600 0.300 0.600 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.22846E-01 ppm1 2.411 ppm2 2.554 CV 1
ASSI { 1503} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 125 and name HB3 )) 1.900 1.900 4.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.15731E-01 ppm1 2.411 ppm2 2.346 CV 1
ASSI { 1504} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.200 0.600 0.600 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.45710E-02 ppm1 2.557 ppm2 4.349 CV 1
ASSI { 7971} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HN )) 1.900 0.500 0.500 peak 7971 spectrum 1 weight 0.10000E+01 volume 0.16747E-01 ppm1 4.368 ppm2 7.976 CV 1
ASSI { 8059} (( segid " " and resid 33 and name HB3 )) (( segid " " and resid 33 and name HN )) 2.500 0.800 0.800 peak 8059 spectrum 1 weight 0.10000E+01 volume 0.51600E-02 ppm1 2.412 ppm2 7.923 CV 1
ASSI { 8060} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.200 0.600 0.600 peak 8060 spectrum 1 weight 0.10000E+01 volume 0.56047E-02 ppm1 2.574 ppm2 7.957 CV 1
ASSI { 900} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) 1.900 0.400 0.400 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10790E-01 ppm1 7.927 ppm2 3.451 CV 1
ASSI { 901} (( segid " " and resid 33 and name HN )) ( segid " " and resid 32 and name HB% ) 2.300 0.600 0.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.60969E-02 ppm1 7.927 ppm2 0.544 CV 1
ASSI { 1507} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 2.600 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.69802E-02 ppm1 4.418 ppm2 3.090 CV 1
ASSI { 1511} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HB2 )) 1.800 0.400 0.400 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.11253E-01 ppm1 2.815 ppm2 3.093 CV 1
ASSI { 6005} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 34 and name HD% ) 2.500 0.800 0.800 peak 6005 spectrum 1 weight 0.10000E+01 volume 0.46126E-02 ppm1 2.804 ppm2 6.990 CV 1
ASSI { 6006} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 34 and name HD% ) 2.500 0.800 0.800 peak 6006 spectrum 1 weight 0.10000E+01 volume 0.41146E-02 ppm1 3.091 ppm2 7.008 CV 1
ASSI { 7155} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HN )) 2.700 0.900 0.900 peak 7155 spectrum 1 weight 0.10000E+01 volume 0.44111E-02 ppm1 2.815 ppm2 7.975 CV 1
ASSI { 7156} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.100 0.600 0.600 peak 7156 spectrum 1 weight 0.10000E+01 volume 0.44408E-02 ppm1 3.091 ppm2 7.975 CV 1
ASSI { 7161} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 35 and name HB3 )) 3.800 1.800 1.800 peak 7161 spectrum 1 weight 0.10000E+01 volume 0.87015E-03 ppm1 2.815 ppm2 1.461 CV 1
ASSI { 7162} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HB3 )) 4.800 2.900 1.200 peak 7162 spectrum 1 weight 0.10000E+01 volume 0.41225E-03 ppm1 3.091 ppm2 1.493 CV 1
ASSI { 7751} ( segid " " and resid 34 and name HD% ) (( segid " " and resid 34 and name HZ )) 3.400 1.500 1.500 peak 7751 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 7.019 ppm2 6.454 CV 1
ASSI { 7762} ( segid " " and resid 34 and name HE% ) (( segid " " and resid 143 and name HE22)) 4.100 2.100 1.900 peak 7762 spectrum 1 weight 0.10000E+01 volume 0.14478E-02 ppm1 6.876 ppm2 6.591 CV 1
ASSI { 783} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB3 )) 3.000 1.100 1.100 peak 783 spectrum 1 weight 0.10000E+01 volume 0.49480E-02 ppm1 7.957 ppm2 2.772 CV 1
ASSI { 785} (( segid " " and resid 34 and name HN )) ( segid " " and resid 34 and name HD% ) 3.100 1.200 1.200 peak 785 spectrum 1 weight 0.10000E+01 volume 0.13529E-02 ppm1 7.927 ppm2 6.960 CV 1
ASSI { 8033} (( segid " " and resid 34 and name HZ )) ( segid " " and resid 34 and name HE% ) 2.300 0.700 0.700 peak 8033 spectrum 1 weight 0.10000E+01 volume 0.74901E-02 ppm1 6.451 ppm2 6.942 CV 1
ASSI { 8034} (( segid " " and resid 34 and name HZ )) (( segid " " and resid 122 and name HB3 )) 3.900 1.900 1.900 peak 8034 spectrum 1 weight 0.10000E+01 volume 0.14263E-02 ppm1 6.451 ppm2 3.033 CV 1
ASSI { 8036} (( segid " " and resid 34 and name HZ )) ( segid " " and resid 32 and name HB% ) 4.300 2.300 1.700 peak 8036 spectrum 1 weight 0.10000E+01 volume 0.12593E-02 ppm1 6.451 ppm2 0.562 CV 1
ASSI { 8062} (( segid " " and resid 34 and name HA )) ( segid " " and resid 34 and name HD% ) 2.600 0.900 0.900 peak 8062 spectrum 1 weight 0.10000E+01 volume 0.60653E-02 ppm1 4.418 ppm2 7.027 CV 1
ASSI { 1522} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.17579E-02 ppm1 1.495 ppm2 4.316 CV 1
ASSI { 1523} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HB2 )) 1.700 0.400 0.500 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.18395E-01 ppm1 1.495 ppm2 1.675 CV 1
ASSI { 1528} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 2.900 1.100 1.100 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.21067E-02 ppm1 1.668 ppm2 4.316 CV 1
ASSI { 1546} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HB3 )) 3.100 1.200 1.200 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 0.887 ppm2 1.495 CV 1
ASSI { 1549} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HA )) 3.700 1.700 1.700 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.15929E-02 ppm1 0.860 ppm2 4.312 CV 1
ASSI { 1552} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HB3 )) 2.600 0.800 0.800 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.36166E-02 ppm1 0.860 ppm2 1.486 CV 1
ASSI { 1675} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB3 )) 2.200 0.600 0.600 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.74547E-02 ppm1 7.940 ppm2 1.487 CV 1
ASSI { 1173} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.300 0.700 0.700 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.84356E-02 ppm1 7.854 ppm2 4.260 CV 1
ASSI { 1176} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HG )) 2.900 1.100 1.100 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.28086E-02 ppm1 7.854 ppm2 1.615 CV 1
ASSI { 1177} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB3 )) 3.100 1.200 1.200 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.34699E-02 ppm1 7.854 ppm2 1.492 CV 1
ASSI { 1178} (( segid " " and resid 36 and name HN )) ( segid " " and resid 38 and name HD2%) 3.100 1.200 1.200 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.17739E-02 ppm1 7.854 ppm2 0.792 CV 1
ASSI { 1399} (( segid " " and resid 36 and name HN )) ( segid " " and resid 34 and name HD% ) 4.500 2.600 1.500 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.39085E-03 ppm1 7.854 ppm2 7.005 CV 1
ASSI { 1402} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.45352E-03 ppm1 7.854 ppm2 3.083 CV 1
ASSI { 1557} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB3 )) 2.700 0.900 0.900 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.55178E-02 ppm1 4.318 ppm2 3.758 CV 1
ASSI { 8070} (( segid " " and resid 36 and name HA )) (( segid " " and resid 35 and name HN )) 3.200 3.200 2.800 peak 8070 spectrum 1 weight 0.10000E+01 volume 0.37747E-02 ppm1 4.318 ppm2 7.910 CV 1
ASSI { 8071} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 2.600 0.900 0.900 peak 8071 spectrum 1 weight 0.10000E+01 volume 0.61502E-02 ppm1 4.318 ppm2 8.055 CV 1
ASSI { 658} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HG3 )) 2.500 2.500 3.500 peak 658 spectrum 1 weight 0.10000E+01 volume 0.43054E-02 ppm1 8.008 ppm2 2.177 CV 1
ASSI { 7445} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 148 and name HE )) 3.300 1.400 1.400 peak 7445 spectrum 1 weight 0.10000E+01 volume 0.12162E-02 ppm1 2.018 ppm2 7.337 CV 1
ASSI { 7459} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 148 and name HE )) 3.500 1.500 1.500 peak 7459 spectrum 1 weight 0.10000E+01 volume 0.96542E-03 ppm1 1.878 ppm2 7.345 CV 1
ASSI { 1524} (( segid " " and resid 38 and name HB3 )) (( segid " " and resid 38 and name HB2 )) 1.900 0.400 0.400 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.97397E-02 ppm1 1.495 ppm2 1.621 CV 1
ASSI { 1579} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD2%) 3.000 1.100 1.100 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.68596E-02 ppm1 4.185 ppm2 0.774 CV 1
ASSI { 1581} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB3 )) 2.300 0.700 0.700 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.60676E-02 ppm1 4.185 ppm2 1.490 CV 1
ASSI { 1583} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB2 )) 2.300 0.700 0.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.79565E-02 ppm1 4.185 ppm2 1.620 CV 1
ASSI { 1593} (( segid " " and resid 38 and name HB2 )) (( segid " " and resid 38 and name HG )) 1.400 1.400 4.600 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.16845E+00 ppm1 1.617 ppm2 1.565 CV 1
ASSI { 1603} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HA )) 2.900 1.100 1.100 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.79269E-02 ppm1 0.851 ppm2 4.215 CV 1
ASSI { 1604} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB2 )) 1.800 0.400 0.400 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.19517E-01 ppm1 0.852 ppm2 1.640 CV 1
ASSI { 1606} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB3 )) 2.200 0.600 0.600 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.26542E-01 ppm1 0.849 ppm2 1.482 CV 1
ASSI { 1608} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 38 and name HD2%) 2.000 0.500 0.500 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.35415E-01 ppm1 0.851 ppm2 0.762 CV 1
ASSI { 1610} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HB2 )) 2.300 0.700 0.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.18854E-01 ppm1 0.785 ppm2 1.619 CV 1
ASSI { 1611} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HG )) 1.800 0.400 0.400 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.24210E-01 ppm1 0.785 ppm2 1.559 CV 1
ASSI { 1612} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 38 and name HB3 )) 1.800 0.400 0.400 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.21643E-01 ppm1 0.785 ppm2 1.491 CV 1
ASSI { 6043} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 34 and name HD% ) 3.500 1.500 1.500 peak 6043 spectrum 1 weight 0.10000E+01 volume 0.20356E-02 ppm1 0.851 ppm2 7.007 CV 1
ASSI { 6257} ( segid " " and resid 38 and name HD2%) (( segid " " and resid 128 and name HN )) 3.700 1.800 1.800 peak 6257 spectrum 1 weight 0.10000E+01 volume 0.72346E-03 ppm1 0.798 ppm2 9.284 CV 1
ASSI { 687} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG )) 2.000 0.500 0.500 peak 687 spectrum 1 weight 0.10000E+01 volume 0.14678E-01 ppm1 7.955 ppm2 1.551 CV 1
ASSI { 7592} (( segid " " and resid 38 and name HG )) (( segid " " and resid 31 and name HE )) 3.900 1.900 1.900 peak 7592 spectrum 1 weight 0.10000E+01 volume 0.60000E-03 ppm1 1.562 ppm2 7.152 CV 1
ASSI { 7696} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) 2.900 1.000 1.000 peak 7696 spectrum 1 weight 0.10000E+01 volume 0.25513E-02 ppm1 0.851 ppm2 8.053 CV 1
ASSI { 8065} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 36 and name HB3 )) 3.200 3.200 2.800 peak 8065 spectrum 1 weight 0.10000E+01 volume 0.14767E-02 ppm1 0.851 ppm2 3.790 CV 1
ASSI { 8069} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 143 and name HG2 )) 4.200 2.200 1.800 peak 8069 spectrum 1 weight 0.10000E+01 volume 0.11336E-02 ppm1 0.851 ppm2 2.468 CV 1
ASSI { 8073} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 8073 spectrum 1 weight 0.10000E+01 volume 0.55475E-02 ppm1 4.185 ppm2 7.995 CV 1
ASSI { 8074} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.500 0.800 0.800 peak 8074 spectrum 1 weight 0.10000E+01 volume 0.68993E-02 ppm1 4.185 ppm2 8.072 CV 1
ASSI { 910} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA )) 2.300 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.68408E-02 ppm1 8.057 ppm2 4.525 CV 1
ASSI { 916} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG )) 2.300 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.53457E-02 ppm1 8.057 ppm2 1.528 CV 1
ASSI { 918} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD2%) 3.600 1.600 1.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.16935E-02 ppm1 8.057 ppm2 0.790 CV 1
ASSI { 1072} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HN )) 2.400 0.700 0.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.45744E-02 ppm1 7.816 ppm2 8.353 CV 1
ASSI { 1749} (( segid " " and resid 53 and name HB )) (( segid " " and resid 53 and name HA )) 2.200 0.600 0.600 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.11569E-01 ppm1 2.035 ppm2 4.063 CV 1
ASSI { 4254} (( segid " " and resid 53 and name HA )) (( segid " " and resid 52 and name HN )) 3.200 1.300 1.300 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.56977E-02 ppm1 4.064 ppm2 8.367 CV 1
ASSI { 1646} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.97291E-03 ppm1 8.463 ppm2 1.452 CV 1
ASSI { 1758} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 2.400 0.700 0.700 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.10747E-01 ppm1 4.109 ppm2 1.954 CV 1
ASSI { 1759} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB3 )) 2.100 0.500 0.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.13332E-01 ppm1 4.124 ppm2 1.915 CV 1
ASSI { 2150} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) 2.300 0.600 0.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.59234E-02 ppm1 8.491 ppm2 4.066 CV 1
ASSI { 604} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.61547E-02 ppm1 8.489 ppm2 7.826 CV 1
ASSI { 611} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.200 2.200 3.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.14911E-01 ppm1 8.489 ppm2 1.893 CV 1
ASSI { 7821} (( segid " " and resid 54 and name HA )) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 7821 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 4.124 ppm2 7.594 CV 1
ASSI { 7822} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 2.200 2.200 3.800 peak 7822 spectrum 1 weight 0.10000E+01 volume 0.12028E-01 ppm1 4.124 ppm2 8.308 CV 1
ASSI { 1310} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HN )) 2.600 0.800 0.800 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 8.269 ppm2 8.501 CV 1
ASSI { 1311} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 2.400 2.400 3.600 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10163E-01 ppm1 8.269 ppm2 4.062 CV 1
ASSI { 1314} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB3 )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.37270E-02 ppm1 8.269 ppm2 1.914 CV 1
ASSI { 1834} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB3 )) 2.300 0.700 0.700 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.55336E-02 ppm1 4.414 ppm2 1.396 CV 1
ASSI { 1852} (( segid " " and resid 56 and name HG )) (( segid " " and resid 56 and name HB3 )) 2.500 0.800 0.800 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.49505E-02 ppm1 1.511 ppm2 1.361 CV 1
ASSI { 1856} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HG )) 2.000 0.500 0.500 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.18308E-01 ppm1 0.627 ppm2 1.525 CV 1
ASSI { 1862} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 56 and name HG )) 2.200 0.600 0.600 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.12044E-01 ppm1 0.589 ppm2 1.502 CV 1
ASSI { 580} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HN )) 3.800 1.800 1.800 peak 580 spectrum 1 weight 0.10000E+01 volume 0.72706E-03 ppm1 7.554 ppm2 8.464 CV 1
ASSI { 581} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.400 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.41190E-02 ppm1 7.554 ppm2 4.397 CV 1
ASSI { 583} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HD2 )) 2.700 2.700 3.300 peak 583 spectrum 1 weight 0.10000E+01 volume 0.55521E-02 ppm1 7.554 ppm2 3.842 CV 1
ASSI { 586} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.000 0.500 0.500 peak 586 spectrum 1 weight 0.10000E+01 volume 0.13135E-01 ppm1 7.554 ppm2 1.441 CV 1
ASSI { 6100} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 58 and name HD2 )) 2.700 0.900 0.900 peak 6100 spectrum 1 weight 0.10000E+01 volume 0.55795E-02 ppm1 0.619 ppm2 3.858 CV 1
ASSI { 6148} (( segid " " and resid 56 and name HA )) (( segid " " and resid 58 and name HD2 )) 2.500 0.800 0.800 peak 6148 spectrum 1 weight 0.10000E+01 volume 0.79170E-02 ppm1 4.414 ppm2 3.867 CV 1
ASSI { 6156} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 58 and name HD3 )) 3.400 1.400 1.400 peak 6156 spectrum 1 weight 0.10000E+01 volume 0.10533E-02 ppm1 0.580 ppm2 3.521 CV 1
ASSI { 7608} (( segid " " and resid 56 and name HG )) (( segid " " and resid 153 and name HG1 )) 3.700 1.700 1.700 peak 7608 spectrum 1 weight 0.10000E+01 volume 0.58656E-03 ppm1 1.511 ppm2 6.844 CV 1
ASSI { 7609} (( segid " " and resid 56 and name HG )) (( segid " " and resid 56 and name HN )) 2.600 0.800 0.800 peak 7609 spectrum 1 weight 0.10000E+01 volume 0.37491E-02 ppm1 1.511 ppm2 7.571 CV 1
ASSI { 7611} (( segid " " and resid 56 and name HG )) (( segid " " and resid 55 and name HN )) 4.000 2.000 2.000 peak 7611 spectrum 1 weight 0.10000E+01 volume 0.74090E-03 ppm1 1.511 ppm2 8.322 CV 1
ASSI { 8082} ( segid " " and resid 56 and name HD1%) (( segid " " and resid 56 and name HN )) 2.700 2.700 3.300 peak 8082 spectrum 1 weight 0.10000E+01 volume 0.39940E-02 ppm1 0.627 ppm2 7.585 CV 1
ASSI { 8084} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 56 and name HN )) 2.900 1.100 1.100 peak 8084 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 0.589 ppm2 7.577 CV 1
ASSI { 6180} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HD3 )) 2.000 0.500 0.500 peak 6180 spectrum 1 weight 0.10000E+01 volume 0.66988E-02 ppm1 4.177 ppm2 3.745 CV 1
ASSI { 6979} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 154 and name HN )) 2.800 1.000 1.000 peak 6979 spectrum 1 weight 0.10000E+01 volume 0.35001E-02 ppm1 4.177 ppm2 8.145 CV 1
ASSI { 6984} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 56 and name HN )) 4.000 2.000 2.000 peak 6984 spectrum 1 weight 0.10000E+01 volume 0.68716E-03 ppm1 4.177 ppm2 7.597 CV 1
ASSI { 6985} (( segid " " and resid 57 and name HD3 )) (( segid " " and resid 56 and name HN )) 3.700 1.800 1.800 peak 6985 spectrum 1 weight 0.10000E+01 volume 0.62253E-03 ppm1 3.743 ppm2 7.579 CV 1
ASSI { 1779} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HD3 )) 2.900 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 4.347 ppm2 3.558 CV 1
ASSI { 1780} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB2 )) 2.700 0.900 0.900 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.67788E-02 ppm1 4.348 ppm2 2.194 CV 1
ASSI { 1781} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG2 )) 3.700 1.700 1.700 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 4.348 ppm2 2.087 CV 1
ASSI { 1782} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG3 )) 2.900 1.100 1.100 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.32498E-02 ppm1 4.346 ppm2 1.942 CV 1
ASSI { 1783} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB3 )) 2.400 0.700 0.700 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.44980E-02 ppm1 4.346 ppm2 1.824 CV 1
ASSI { 1788} (( segid " " and resid 58 and name HB3 )) (( segid " " and resid 58 and name HG2 )) 2.300 0.700 0.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.16524E-01 ppm1 1.830 ppm2 2.140 CV 1
ASSI { 1793} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HG2 )) 2.200 0.600 0.600 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.71443E-02 ppm1 2.221 ppm2 2.101 CV 1
ASSI { 1796} (( segid " " and resid 58 and name HB2 )) (( segid " " and resid 58 and name HD2 )) 3.500 1.500 1.500 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.17300E-02 ppm1 2.221 ppm2 3.853 CV 1
ASSI { 1802} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HD2 )) 2.900 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.35810E-02 ppm1 1.960 ppm2 3.857 CV 1
ASSI { 1803} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HD3 )) 2.300 0.700 0.700 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.46857E-02 ppm1 1.960 ppm2 3.570 CV 1
ASSI { 1804} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HB2 )) 2.600 0.900 0.900 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.77530E-02 ppm1 1.960 ppm2 2.219 CV 1
ASSI { 1805} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HG2 )) 1.700 0.400 0.500 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.16848E-01 ppm1 1.960 ppm2 2.110 CV 1
ASSI { 1807} (( segid " " and resid 58 and name HG3 )) (( segid " " and resid 58 and name HB3 )) 2.000 0.500 0.500 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.10534E-01 ppm1 1.960 ppm2 1.820 CV 1
ASSI { 1809} (( segid " " and resid 58 and name HG2 )) (( segid " " and resid 58 and name HD2 )) 2.400 0.700 0.700 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.37491E-02 ppm1 2.093 ppm2 3.832 CV 1
ASSI { 1817} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.38874E-02 ppm1 3.567 ppm2 2.200 CV 1
ASSI { 1818} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 58 and name HG2 )) 2.800 1.000 1.000 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.58340E-02 ppm1 3.567 ppm2 2.109 CV 1
ASSI { 1822} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HD3 )) 1.800 0.400 0.400 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.13374E-01 ppm1 3.875 ppm2 3.557 CV 1
ASSI { 4727} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 58 and name HB3 )) 3.300 1.300 1.300 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.40949E-02 ppm1 3.856 ppm2 1.793 CV 1
ASSI { 4728} (( segid " " and resid 58 and name HD2 )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 3.856 ppm2 1.428 CV 1
ASSI { 6196} (( segid " " and resid 58 and name HD3 )) (( segid " " and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 6196 spectrum 1 weight 0.10000E+01 volume 0.24210E-02 ppm1 3.536 ppm2 1.428 CV 1
ASSI { 1213} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA )) 2.200 0.600 0.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.88774E-02 ppm1 8.901 ppm2 4.326 CV 1
ASSI { 1214} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA1 )) 2.500 0.800 0.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.46155E-02 ppm1 8.901 ppm2 4.127 CV 1
ASSI { 1215} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA2 )) 2.600 0.800 0.800 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.59652E-02 ppm1 8.901 ppm2 3.729 CV 1
ASSI { 1216} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 8.901 ppm2 2.171 CV 1
ASSI { 1217} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HB3 )) 3.300 1.400 1.400 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.20478E-02 ppm1 8.901 ppm2 1.840 CV 1
ASSI { 1827} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 59 and name HA1 )) 1.900 0.400 0.400 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.15079E-01 ppm1 3.736 ppm2 4.143 CV 1
ASSI { 6951} (( segid " " and resid 59 and name HA1 )) (( segid " " and resid 60 and name HN )) 3.500 1.600 1.600 peak 6951 spectrum 1 weight 0.10000E+01 volume 0.17022E-02 ppm1 4.147 ppm2 7.609 CV 1
ASSI { 6952} (( segid " " and resid 59 and name HA2 )) (( segid " " and resid 60 and name HN )) 3.000 1.100 1.100 peak 6952 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 3.736 ppm2 7.573 CV 1
ASSI { 1192} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.53208E-02 ppm1 7.574 ppm2 8.914 CV 1
ASSI { 1194} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 2.600 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.35854E-02 ppm1 7.574 ppm2 5.203 CV 1
ASSI { 2} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 3.000 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.24419E-02 ppm1 3.842 ppm2 5.193 CV 1
ASSI { 4426} (( segid " " and resid 60 and name HA )) (( segid " " and resid 78 and name HA )) 3.300 1.300 1.300 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 5.213 ppm2 4.806 CV 1
ASSI { 4427} (( segid " " and resid 60 and name HA )) ( segid " " and resid 113 and name HD% ) 3.800 1.800 1.800 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.11919E-02 ppm1 5.213 ppm2 7.187 CV 1
ASSI { 7436} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 78 and name HA )) 4.300 2.300 1.700 peak 7436 spectrum 1 weight 0.10000E+01 volume 0.68716E-03 ppm1 3.855 ppm2 4.814 CV 1
ASSI { 7437} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 78 and name HA )) 3.200 1.300 1.300 peak 7437 spectrum 1 weight 0.10000E+01 volume 0.85614E-03 ppm1 3.755 ppm2 4.831 CV 1
ASSI { 7440} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HN )) 3.300 1.300 1.300 peak 7440 spectrum 1 weight 0.10000E+01 volume 0.15233E-02 ppm1 3.850 ppm2 7.607 CV 1
ASSI { 7442} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 59 and name HN )) 4.300 2.300 1.700 peak 7442 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 3.842 ppm2 8.918 CV 1
ASSI { 7830} (( segid " " and resid 60 and name HA )) (( segid " " and resid 78 and name HN )) 3.100 3.100 2.900 peak 7830 spectrum 1 weight 0.10000E+01 volume 0.30653E-02 ppm1 5.213 ppm2 8.534 CV 1
ASSI { 8} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HA )) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.32155E-02 ppm1 3.758 ppm2 5.246 CV 1
ASSI { 9} (( segid " " and resid 60 and name HB3 )) (( segid " " and resid 60 and name HB2 )) 1.900 0.400 0.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.10893E-01 ppm1 3.753 ppm2 3.863 CV 1
ASSI { 18} ( segid " " and resid 61 and name HB% ) (( segid " " and resid 61 and name HA )) 2.300 0.600 0.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.88814E-02 ppm1 0.589 ppm2 4.437 CV 1
ASSI { 2136} (( segid " " and resid 61 and name HN )) ( segid " " and resid 113 and name HD% ) 4.000 2.000 2.000 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.12147E-02 ppm1 8.491 ppm2 7.127 CV 1
ASSI { 2137} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.400 0.700 0.700 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.47786E-02 ppm1 8.491 ppm2 5.196 CV 1
ASSI { 2138} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB3 )) 2.800 1.000 1.000 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.40073E-02 ppm1 8.491 ppm2 3.781 CV 1
ASSI { 2140} (( segid " " and resid 61 and name HN )) (( segid " " and resid 77 and name HB2 )) 2.600 0.800 0.800 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.19426E-02 ppm1 8.491 ppm2 1.347 CV 1
ASSI { 2141} (( segid " " and resid 61 and name HN )) (( segid " " and resid 77 and name HB3 )) 3.700 1.800 1.800 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.18606E-02 ppm1 8.491 ppm2 1.189 CV 1
ASSI { 2143} (( segid " " and resid 61 and name HN )) ( segid " " and resid 77 and name HD2%) 4.100 2.100 1.900 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.80661E-03 ppm1 8.491 ppm2 0.276 CV 1
ASSI { 6216} ( segid " " and resid 61 and name HB% ) ( segid " " and resid 113 and name HD% ) 2.500 0.800 0.800 peak 6216 spectrum 1 weight 0.10000E+01 volume 0.48577E-02 ppm1 0.589 ppm2 7.195 CV 1
ASSI { 8134} ( segid " " and resid 61 and name HB% ) (( segid " " and resid 61 and name HN )) 2.600 0.800 0.800 peak 8134 spectrum 1 weight 0.10000E+01 volume 0.44626E-02 ppm1 0.590 ppm2 8.503 CV 1
ASSI { 8135} ( segid " " and resid 61 and name HB% ) (( segid " " and resid 153 and name HN )) 3.600 1.600 1.600 peak 8135 spectrum 1 weight 0.10000E+01 volume 0.17631E-02 ppm1 0.588 ppm2 8.171 CV 1
ASSI { 21} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) 2.700 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.48933E-02 ppm1 4.959 ppm2 1.358 CV 1
ASSI { 26} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HB2 )) 1.700 0.300 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.18826E-01 ppm1 1.205 ppm2 1.342 CV 1
ASSI { 30} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 1.205 ppm2 4.962 CV 1
ASSI { 4663} (( segid " " and resid 62 and name HA )) (( segid " " and resid 77 and name HN )) 3.300 1.300 1.300 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.75390E-03 ppm1 4.959 ppm2 8.844 CV 1
ASSI { 4664} (( segid " " and resid 62 and name HA )) (( segid " " and resid 76 and name HA )) 3.700 1.700 1.700 peak 4664 spectrum 1 weight 0.10000E+01 volume 0.79218E-03 ppm1 4.959 ppm2 4.526 CV 1
ASSI { 4768} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 4768 spectrum 1 weight 0.10000E+01 volume 0.32471E-02 ppm1 1.363 ppm2 8.700 CV 1
ASSI { 4769} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 4769 spectrum 1 weight 0.10000E+01 volume 0.37549E-02 ppm1 1.205 ppm2 8.676 CV 1
ASSI { 8022} (( segid " " and resid 62 and name HB3 )) (( segid " " and resid 76 and name HA )) 3.100 1.200 1.200 peak 8022 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 1.205 ppm2 4.464 CV 1
ASSI { 856} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 2.800 1.000 1.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.16172E-02 ppm1 8.693 ppm2 4.922 CV 1
ASSI { 862} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HB% ) 2.400 0.700 0.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.74780E-02 ppm1 8.693 ppm2 0.557 CV 1
ASSI { 863} (( segid " " and resid 62 and name HN )) ( segid " " and resid 77 and name HD2%) 3.800 1.800 1.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.68987E-03 ppm1 8.693 ppm2 0.299 CV 1
ASSI { 40} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB3 )) 2.600 0.900 0.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 5.440 ppm2 1.194 CV 1
ASSI { 4245} ( segid " " and resid 63 and name HD2%) ( segid " " and resid 92 and name HG2%) 3.000 3.000 3.000 peak 4245 spectrum 1 weight 0.10000E+01 volume 0.56076E-02 ppm1 -0.063 ppm2 0.260 CV 1
ASSI { 4250} ( segid " " and resid 63 and name HD2%) ( segid " " and resid 75 and name HE% ) 3.000 1.100 1.100 peak 4250 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 -0.063 ppm2 6.986 CV 1
ASSI { 4252} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 64 and name HN )) 3.900 1.900 1.900 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.10656E-02 ppm1 -0.063 ppm2 8.896 CV 1
ASSI { 43} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HB3 )) 2.100 0.500 0.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.39328E-02 ppm1 1.632 ppm2 1.192 CV 1
ASSI { 46} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG )) 2.600 0.900 0.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.31404E-02 ppm1 1.632 ppm2 1.301 CV 1
ASSI { 49} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HG )) 2.300 0.700 0.700 peak 49 spectrum 1 weight 0.10000E+01 volume 0.43538E-02 ppm1 1.195 ppm2 1.299 CV 1
ASSI { 51} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 63 and name HD1%) 3.100 1.200 1.200 peak 51 spectrum 1 weight 0.10000E+01 volume 0.30139E-02 ppm1 1.195 ppm2 0.674 CV 1
ASSI { 55} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.34862E-02 ppm1 -0.063 ppm2 1.628 CV 1
ASSI { 56} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HG )) 2.000 0.500 0.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.11038E-01 ppm1 -0.063 ppm2 1.296 CV 1
ASSI { 57} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HB3 )) 2.200 0.600 0.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.98439E-02 ppm1 -0.063 ppm2 1.197 CV 1
ASSI { 58} ( segid " " and resid 63 and name HD2%) ( segid " " and resid 63 and name HD1%) 2.300 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.75011E-02 ppm1 -0.063 ppm2 0.672 CV 1
ASSI { 60} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HA )) 3.400 1.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.17174E-02 ppm1 -0.063 ppm2 5.443 CV 1
ASSI { 6222} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HN )) 3.500 1.500 1.500 peak 6222 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 1.195 ppm2 8.637 CV 1
ASSI { 6223} ( segid " " and resid 63 and name HD2%) (( segid " " and resid 63 and name HN )) 3.600 1.600 1.600 peak 6223 spectrum 1 weight 0.10000E+01 volume 0.21660E-02 ppm1 -0.063 ppm2 8.646 CV 1
ASSI { 6259} (( segid " " and resid 63 and name HA )) (( segid " " and resid 150 and name HN )) 3.800 1.800 1.800 peak 6259 spectrum 1 weight 0.10000E+01 volume 0.73917E-03 ppm1 5.440 ppm2 9.279 CV 1
ASSI { 62} (( segid " " and resid 63 and name HG )) ( segid " " and resid 63 and name HD1%) 2.100 0.600 0.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.63203E-02 ppm1 1.298 ppm2 0.670 CV 1
ASSI { 6933} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 151 and name HB3 )) 3.800 1.800 1.800 peak 6933 spectrum 1 weight 0.10000E+01 volume 0.10377E-02 ppm1 1.632 ppm2 2.551 CV 1
ASSI { 6934} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 106 and name HB2 )) 4.300 2.300 1.700 peak 6934 spectrum 1 weight 0.10000E+01 volume 0.61265E-03 ppm1 1.632 ppm2 2.929 CV 1
ASSI { 6935} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 62 and name HA )) 4.600 2.600 1.400 peak 6935 spectrum 1 weight 0.10000E+01 volume 0.54111E-03 ppm1 1.632 ppm2 4.963 CV 1
ASSI { 6936} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 6936 spectrum 1 weight 0.10000E+01 volume 0.13328E-02 ppm1 1.632 ppm2 5.448 CV 1
ASSI { 6937} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 75 and name HE% ) 3.100 1.200 1.200 peak 6937 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 1.632 ppm2 7.056 CV 1
ASSI { 6938} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 64 and name HN )) 4.100 2.100 1.900 peak 6938 spectrum 1 weight 0.10000E+01 volume 0.62332E-03 ppm1 1.632 ppm2 8.901 CV 1
ASSI { 6939} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 75 and name HN )) 3.300 1.400 1.400 peak 6939 spectrum 1 weight 0.10000E+01 volume 0.56501E-03 ppm1 1.632 ppm2 9.150 CV 1
ASSI { 6940} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 151 and name HB3 )) 3.300 1.400 1.400 peak 6940 spectrum 1 weight 0.10000E+01 volume 0.93103E-03 ppm1 1.195 ppm2 2.539 CV 1
ASSI { 6942} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 62 and name HA )) 4.800 2.900 1.200 peak 6942 spectrum 1 weight 0.10000E+01 volume 0.60356E-03 ppm1 1.195 ppm2 4.952 CV 1
ASSI { 6944} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 75 and name HE% ) 3.400 1.500 1.500 peak 6944 spectrum 1 weight 0.10000E+01 volume 0.11192E-02 ppm1 1.195 ppm2 7.045 CV 1
ASSI { 71} ( segid " " and resid 63 and name HD1%) (( segid " " and resid 63 and name HB2 )) 2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.34348E-02 ppm1 0.664 ppm2 1.632 CV 1
ASSI { 7630} (( segid " " and resid 63 and name HG )) (( segid " " and resid 63 and name HA )) 3.600 1.600 1.600 peak 7630 spectrum 1 weight 0.10000E+01 volume 0.48003E-03 ppm1 1.298 ppm2 5.469 CV 1
ASSI { 7631} (( segid " " and resid 63 and name HG )) ( segid " " and resid 75 and name HD% ) 4.400 2.400 1.600 peak 7631 spectrum 1 weight 0.10000E+01 volume 0.49862E-03 ppm1 1.298 ppm2 6.925 CV 1
ASSI { 8140} ( segid " " and resid 63 and name HD1%) ( segid " " and resid 75 and name HD% ) 2.600 0.900 0.900 peak 8140 spectrum 1 weight 0.10000E+01 volume 0.39426E-02 ppm1 0.664 ppm2 6.932 CV 1
ASSI { 821} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 3.000 1.100 1.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.93915E-03 ppm1 8.599 ppm2 5.404 CV 1
ASSI { 822} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.200 0.600 0.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.39607E-02 ppm1 8.599 ppm2 4.932 CV 1
ASSI { 826} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.15240E-02 ppm1 8.599 ppm2 1.606 CV 1
ASSI { 827} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HG )) 2.600 0.800 0.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.38964E-02 ppm1 8.599 ppm2 1.276 CV 1
ASSI { 1660} (( segid " " and resid 64 and name HN )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.84356E-03 ppm1 8.906 ppm2 4.850 CV 1
ASSI { 4117} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 4117 spectrum 1 weight 0.10000E+01 volume 0.46640E-02 ppm1 1.801 ppm2 8.916 CV 1
ASSI { 762} (( segid " " and resid 64 and name HN )) (( segid " " and resid 150 and name HN )) 2.800 1.000 1.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.18108E-02 ppm1 8.906 ppm2 9.274 CV 1
ASSI { 764} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.300 0.600 0.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.46621E-02 ppm1 8.908 ppm2 5.397 CV 1
ASSI { 765} (( segid " " and resid 64 and name HN )) (( segid " " and resid 151 and name HA )) 3.400 1.400 1.400 peak 765 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 8.906 ppm2 5.015 CV 1
ASSI { 767} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.16132E-02 ppm1 8.906 ppm2 1.210 CV 1
ASSI { 76} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.800 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 1.801 ppm2 4.834 CV 1
ASSI { 4199} (( segid " " and resid 65 and name HA )) (( segid " " and resid 149 and name HA )) 2.100 0.600 0.600 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 4.114 ppm2 5.493 CV 1
ASSI { 4200} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.900 1.000 1.000 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 4.115 ppm2 8.777 CV 1
ASSI { 428} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 428 spectrum 1 weight 0.10000E+01 volume 0.26728E-02 ppm1 8.772 ppm2 4.842 CV 1
ASSI { 430} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB )) 3.200 1.300 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.20037E-02 ppm1 8.772 ppm2 2.141 CV 1
ASSI { 4412} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 64 and name HA )) 3.900 1.900 1.900 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.13617E-02 ppm1 0.985 ppm2 4.826 CV 1
ASSI { 4413} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 74 and name HE )) 3.300 3.300 2.700 peak 4413 spectrum 1 weight 0.10000E+01 volume 0.26355E-02 ppm1 0.985 ppm2 7.076 CV 1
ASSI { 4414} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 4414 spectrum 1 weight 0.10000E+01 volume 0.35415E-02 ppm1 0.985 ppm2 8.783 CV 1
ASSI { 4453} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.77747E-02 ppm1 1.000 ppm2 8.776 CV 1
ASSI { 4454} ( segid " " and resid 65 and name HG2%) ( segid " " and resid 94 and name HD2%) 3.200 1.300 1.300 peak 4454 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 0.982 ppm2 -0.422 CV 1
ASSI { 7522} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 2.300 0.700 0.700 peak 7522 spectrum 1 weight 0.10000E+01 volume 0.35119E-02 ppm1 4.113 ppm2 9.436 CV 1
ASSI { 7813} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 72 and name HN )) 3.900 1.900 1.900 peak 7813 spectrum 1 weight 0.10000E+01 volume 0.18393E-02 ppm1 0.985 ppm2 9.158 CV 1
ASSI { 7815} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 73 and name HN )) 3.000 1.200 1.200 peak 7815 spectrum 1 weight 0.10000E+01 volume 0.23538E-02 ppm1 0.985 ppm2 8.032 CV 1
ASSI { 7877} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 70 and name HD22)) 3.700 1.700 1.700 peak 7877 spectrum 1 weight 0.10000E+01 volume 0.22451E-02 ppm1 1.000 ppm2 6.115 CV 1
ASSI { 93} (( segid " " and resid 65 and name HB )) (( segid " " and resid 65 and name HA )) 2.800 1.000 1.000 peak 93 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 2.158 ppm2 4.095 CV 1
ASSI { 94} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HB )) 2.300 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.43597E-02 ppm1 0.985 ppm2 2.166 CV 1
ASSI { 97} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 65 and name HA )) 2.600 0.900 0.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.36126E-02 ppm1 0.985 ppm2 4.102 CV 1
ASSI { 98} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HB )) 2.000 0.500 0.500 peak 98 spectrum 1 weight 0.10000E+01 volume 0.88814E-02 ppm1 0.998 ppm2 2.152 CV 1
ASSI { 112} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB3 )) 1.800 0.400 0.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.93124E-02 ppm1 1.741 ppm2 1.671 CV 1
ASSI { 125} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HA )) 3.000 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.25948E-02 ppm1 1.665 ppm2 4.441 CV 1
ASSI { 133} (( segid " " and resid 66 and name HG2 )) (( segid " " and resid 66 and name HG3 )) 1.600 0.300 0.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.22253E-01 ppm1 1.570 ppm2 1.571 CV 1
ASSI { 1418} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 4.800 2.900 1.200 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.21972E-03 ppm1 9.416 ppm2 8.740 CV 1
ASSI { 145} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HD3 )) 1.800 0.400 0.400 peak 145 spectrum 1 weight 0.10000E+01 volume 0.13738E-01 ppm1 1.494 ppm2 1.344 CV 1
ASSI { 150} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HB3 )) 2.600 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.77801E-02 ppm1 1.345 ppm2 1.679 CV 1
ASSI { 151} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HB2 )) 2.500 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.27127E-02 ppm1 1.344 ppm2 1.755 CV 1
ASSI { 154} (( segid " " and resid 66 and name HD3 )) (( segid " " and resid 66 and name HA )) 3.500 1.500 1.500 peak 154 spectrum 1 weight 0.10000E+01 volume 0.16242E-02 ppm1 1.337 ppm2 4.428 CV 1
ASSI { 155} (( segid " " and resid 66 and name HE3 )) (( segid " " and resid 66 and name HE2 )) 2.000 0.500 0.500 peak 155 spectrum 1 weight 0.10000E+01 volume 0.66779E-02 ppm1 2.873 ppm2 2.868 CV 1
ASSI { 171} (( segid " " and resid 66 and name HN )) (( segid " " and resid 149 and name HA )) 3.600 1.700 1.700 peak 171 spectrum 1 weight 0.10000E+01 volume 0.88533E-03 ppm1 9.416 ppm2 5.464 CV 1
ASSI { 4118} (( segid " " and resid 66 and name HB3 )) ( segid " " and resid 150 and name HG1%) 3.600 1.600 1.600 peak 4118 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 1.665 ppm2 0.914 CV 1
ASSI { 4475} (( segid " " and resid 66 and name HA )) ( segid " " and resid 150 and name HG1%) 2.600 0.900 0.900 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.60277E-02 ppm1 4.430 ppm2 0.922 CV 1
ASSI { 7284} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 67 and name HN )) 2.600 0.800 0.800 peak 7284 spectrum 1 weight 0.10000E+01 volume 0.18672E-02 ppm1 1.665 ppm2 7.998 CV 1
ASSI { 7285} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HN )) 2.900 1.000 1.000 peak 7285 spectrum 1 weight 0.10000E+01 volume 0.21442E-02 ppm1 1.665 ppm2 9.441 CV 1
ASSI { 7287} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HN )) 4.300 2.300 1.700 peak 7287 spectrum 1 weight 0.10000E+01 volume 0.90435E-03 ppm1 1.741 ppm2 8.010 CV 1
ASSI { 7288} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) 3.200 1.300 1.300 peak 7288 spectrum 1 weight 0.10000E+01 volume 0.59902E-03 ppm1 1.741 ppm2 9.454 CV 1
ASSI { 7652} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 67 and name HN )) 4.800 2.900 1.200 peak 7652 spectrum 1 weight 0.10000E+01 volume 0.62155E-03 ppm1 1.494 ppm2 7.968 CV 1
ASSI { 7655} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HN )) 5.000 3.100 1.000 peak 7655 spectrum 1 weight 0.10000E+01 volume 0.50356E-03 ppm1 1.494 ppm2 9.404 CV 1
ASSI { 7670} (( segid " " and resid 66 and name HD2 )) (( segid " " and resid 66 and name HA )) 3.400 1.400 1.400 peak 7670 spectrum 1 weight 0.10000E+01 volume 0.30928E-02 ppm1 1.494 ppm2 4.399 CV 1
ASSI { 7882} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 7882 spectrum 1 weight 0.10000E+01 volume 0.21304E-02 ppm1 4.430 ppm2 8.010 CV 1
ASSI { 7883} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 7883 spectrum 1 weight 0.10000E+01 volume 0.29505E-02 ppm1 4.430 ppm2 9.462 CV 1
ASSI { 1113} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.32802E-02 ppm1 7.977 ppm2 9.443 CV 1
ASSI { 1116} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.900 1.000 1.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.13609E-02 ppm1 7.981 ppm2 4.104 CV 1
ASSI { 1119} (( segid " " and resid 67 and name HN )) ( segid " " and resid 71 and name HB% ) 4.000 2.000 2.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.16092E-02 ppm1 7.982 ppm2 1.308 CV 1
ASSI { 1417} (( segid " " and resid 67 and name HN )) (( segid " " and resid 148 and name HN )) 3.100 1.200 1.200 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 7.981 ppm2 8.692 CV 1
ASSI { 1419} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 3.000 1.100 1.100 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 7.980 ppm2 8.293 CV 1
ASSI { 1671} (( segid " " and resid 67 and name HN )) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.56960E-03 ppm1 7.988 ppm2 3.632 CV 1
ASSI { 6329} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 67 and name HA )) 3.200 1.200 1.200 peak 6329 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 1.340 ppm2 4.058 CV 1
ASSI { 7598} (( segid " " and resid 67 and name HG3 )) (( segid " " and resid 72 and name HN )) 3.900 1.900 1.900 peak 7598 spectrum 1 weight 0.10000E+01 volume 0.12304E-02 ppm1 1.343 ppm2 9.098 CV 1
ASSI { 8308} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) 2.100 0.600 0.600 peak 8308 spectrum 1 weight 0.10000E+01 volume 0.74683E-02 ppm1 4.081 ppm2 1.410 CV 1
ASSI { 1278} (( segid " " and resid 68 and name HN )) (( segid " " and resid 70 and name HA )) 2.900 2.900 3.100 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.56919E-02 ppm1 8.326 ppm2 4.608 CV 1
ASSI { 1421} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA2 )) 2.400 0.700 0.700 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.27219E-02 ppm1 8.326 ppm2 3.413 CV 1
ASSI { 1422} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HD2 )) 3.400 1.400 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.82107E-03 ppm1 8.326 ppm2 2.892 CV 1
ASSI { 1423} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HD3 )) 3.800 1.900 1.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.84356E-03 ppm1 8.326 ppm2 2.268 CV 1
ASSI { 1425} (( segid " " and resid 68 and name HN )) ( segid " " and resid 71 and name HB% ) 2.600 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 8.326 ppm2 1.296 CV 1
ASSI { 1426} (( segid " " and resid 68 and name HN )) (( segid " " and resid 31 and name HG3 )) 4.000 2.000 2.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.74354E-03 ppm1 8.326 ppm2 0.862 CV 1
ASSI { 2152} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.400 0.700 0.700 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.28544E-02 ppm1 8.326 ppm2 4.125 CV 1
ASSI { 8149} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 68 and name HN )) 2.900 1.100 1.100 peak 8149 spectrum 1 weight 0.10000E+01 volume 0.19588E-02 ppm1 4.175 ppm2 8.356 CV 1
ASSI { 8150} (( segid " " and resid 68 and name HA1 )) (( segid " " and resid 68 and name HA2 )) 2.100 0.600 0.600 peak 8150 spectrum 1 weight 0.10000E+01 volume 0.48854E-02 ppm1 4.175 ppm2 3.422 CV 1
ASSI { 169} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HD3 )) 3.000 1.100 1.100 peak 169 spectrum 1 weight 0.10000E+01 volume 0.20751E-02 ppm1 4.190 ppm2 2.317 CV 1
ASSI { 170} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.400 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.87195E-02 ppm1 4.190 ppm2 2.226 CV 1
ASSI { 171} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB3 )) 2.100 0.500 0.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.78044E-02 ppm1 4.190 ppm2 1.850 CV 1
ASSI { 172} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HG2 )) 2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.63102E-02 ppm1 4.190 ppm2 1.776 CV 1
ASSI { 173} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HG3 )) 2.800 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.27372E-02 ppm1 4.190 ppm2 1.672 CV 1
ASSI { 176} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HB2 )) 1.700 0.300 0.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.86316E-02 ppm1 1.847 ppm2 2.233 CV 1
ASSI { 179} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 69 and name HG3 )) 2.200 0.600 0.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.44901E-02 ppm1 1.847 ppm2 1.678 CV 1
ASSI { 186} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HG2 )) 1.800 0.400 0.400 peak 186 spectrum 1 weight 0.10000E+01 volume 0.96858E-02 ppm1 2.238 ppm2 1.778 CV 1
ASSI { 193} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 69 and name HB3 )) 2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.48446E-02 ppm1 1.760 ppm2 1.834 CV 1
ASSI { 197} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 69 and name HG2 )) 1.800 0.400 0.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.63368E-02 ppm1 1.664 ppm2 1.792 CV 1
ASSI { 199} (( segid " " and resid 69 and name HG3 )) (( segid " " and resid 69 and name HB2 )) 2.600 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.45692E-02 ppm1 1.664 ppm2 2.221 CV 1
ASSI { 205} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HB2 )) 3.100 1.200 1.200 peak 205 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 2.305 ppm2 2.231 CV 1
ASSI { 207} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HG2 )) 3.000 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.14447E-02 ppm1 2.305 ppm2 1.759 CV 1
ASSI { 208} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HG3 )) 2.300 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.29644E-02 ppm1 2.318 ppm2 1.668 CV 1
ASSI { 210} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HD3 )) 1.900 0.400 0.400 peak 210 spectrum 1 weight 0.10000E+01 volume 0.50079E-02 ppm1 2.872 ppm2 2.316 CV 1
ASSI { 211} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HB2 )) 2.600 0.800 0.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.26226E-02 ppm1 2.872 ppm2 2.233 CV 1
ASSI { 212} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HB3 )) 3.200 1.300 1.300 peak 212 spectrum 1 weight 0.10000E+01 volume 0.25434E-02 ppm1 2.872 ppm2 1.855 CV 1
ASSI { 213} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HG2 )) 2.200 0.600 0.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.36226E-02 ppm1 2.872 ppm2 1.782 CV 1
ASSI { 214} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 69 and name HG3 )) 2.900 1.100 1.100 peak 214 spectrum 1 weight 0.10000E+01 volume 0.27372E-02 ppm1 2.872 ppm2 1.669 CV 1
ASSI { 4157} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 31 and name HG3 )) 3.300 1.400 1.400 peak 4157 spectrum 1 weight 0.10000E+01 volume 0.18749E-02 ppm1 1.847 ppm2 0.881 CV 1
ASSI { 4158} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 146 and name HE2 )) 2.500 0.800 0.800 peak 4158 spectrum 1 weight 0.10000E+01 volume 0.10162E-02 ppm1 1.847 ppm2 2.521 CV 1
ASSI { 4194} (( segid " " and resid 69 and name HA )) (( segid " " and resid 31 and name HG3 )) 3.100 1.200 1.200 peak 4194 spectrum 1 weight 0.10000E+01 volume 0.24672E-02 ppm1 4.190 ppm2 0.885 CV 1
ASSI { 4196} (( segid " " and resid 69 and name HA )) (( segid " " and resid 147 and name HA )) 3.800 1.800 1.800 peak 4196 spectrum 1 weight 0.10000E+01 volume 0.20256E-02 ppm1 4.190 ppm2 4.538 CV 1
ASSI { 4214} (( segid " " and resid 69 and name HG3 )) ( segid " " and resid 147 and name HE% ) 4.600 2.700 1.400 peak 4214 spectrum 1 weight 0.10000E+01 volume 0.74029E-03 ppm1 1.649 ppm2 7.231 CV 1
ASSI { 4759} (( segid " " and resid 69 and name HD2 )) (( segid " " and resid 68 and name HA2 )) 2.700 0.900 0.900 peak 4759 spectrum 1 weight 0.10000E+01 volume 0.31404E-02 ppm1 2.872 ppm2 3.394 CV 1
ASSI { 4761} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 68 and name HA2 )) 2.200 0.600 0.600 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.26522E-02 ppm1 2.318 ppm2 3.420 CV 1
ASSI { 4762} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 68 and name HA1 )) 3.200 1.300 1.300 peak 4762 spectrum 1 weight 0.10000E+01 volume 0.30969E-02 ppm1 2.321 ppm2 4.171 CV 1
ASSI { 7557} (( segid " " and resid 69 and name HG2 )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 7557 spectrum 1 weight 0.10000E+01 volume 0.69605E-03 ppm1 1.759 ppm2 8.227 CV 1
ASSI { 8013} (( segid " " and resid 69 and name HD2 )) ( segid " " and resid 147 and name HE% ) 3.800 1.800 1.800 peak 8013 spectrum 1 weight 0.10000E+01 volume 0.88656E-03 ppm1 2.872 ppm2 7.212 CV 1
ASSI { 8143} (( segid " " and resid 69 and name HA )) (( segid " " and resid 71 and name HN )) 3.200 1.300 1.300 peak 8143 spectrum 1 weight 0.10000E+01 volume 0.19461E-02 ppm1 4.190 ppm2 7.427 CV 1
ASSI { 8144} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 2.500 2.500 3.500 peak 8144 spectrum 1 weight 0.10000E+01 volume 0.85456E-02 ppm1 4.190 ppm2 8.229 CV 1
ASSI { 8147} (( segid " " and resid 69 and name HB3 )) (( segid " " and resid 70 and name HN )) 3.600 1.600 1.600 peak 8147 spectrum 1 weight 0.10000E+01 volume 0.16844E-02 ppm1 1.847 ppm2 8.249 CV 1
ASSI { 8162} (( segid " " and resid 69 and name HD3 )) (( segid " " and resid 69 and name HB3 )) 3.300 1.400 1.400 peak 8162 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 2.321 ppm2 1.864 CV 1
ASSI { 1179} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.000 0.500 0.500 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.49014E-02 ppm1 8.212 ppm2 7.416 CV 1
ASSI { 1180} (( segid " " and resid 70 and name HN )) (( segid " " and resid 146 and name HN )) 6.000 5.300 0.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.92631E-03 ppm1 8.212 ppm2 7.177 CV 1
ASSI { 1184} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.16148E-02 ppm1 8.212 ppm2 3.067 CV 1
ASSI { 1730} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 70 and name HD21)) 1.800 0.400 0.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.90461E-02 ppm1 6.100 ppm2 7.658 CV 1
ASSI { 1732} (( segid " " and resid 70 and name HD22)) ( segid " " and resid 147 and name HD% ) 4.700 2.800 1.300 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.74972E-03 ppm1 6.100 ppm2 7.023 CV 1
ASSI { 1733} (( segid " " and resid 70 and name HD21)) ( segid " " and resid 147 and name HD% ) 3.700 1.700 1.700 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.10516E-02 ppm1 7.659 ppm2 7.023 CV 1
ASSI { 1734} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HA )) 4.300 2.300 1.700 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.46002E-03 ppm1 7.659 ppm2 4.580 CV 1
ASSI { 1735} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 73 and name HB3 )) 3.700 1.700 1.700 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.50243E-03 ppm1 7.659 ppm2 3.560 CV 1
ASSI { 1736} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.19072E-02 ppm1 7.659 ppm2 3.049 CV 1
ASSI { 1737} (( segid " " and resid 70 and name HD21)) (( segid " " and resid 70 and name HB3 )) 2.400 0.700 0.700 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.16397E-02 ppm1 7.659 ppm2 2.809 CV 1
ASSI { 1740} (( segid " " and resid 70 and name HD22)) (( segid " " and resid 93 and name HB2 )) 3.300 1.400 1.400 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.91425E-03 ppm1 6.100 ppm2 3.039 CV 1
ASSI { 216} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.200 0.600 0.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.51756E-02 ppm1 4.591 ppm2 3.085 CV 1
ASSI { 220} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HB3 )) 1.600 0.300 0.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.10103E-01 ppm1 3.088 ppm2 2.838 CV 1
ASSI { 7196} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 7196 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 2.843 ppm2 3.683 CV 1
ASSI { 7197} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HD22)) 3.600 1.700 1.700 peak 7197 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 3.089 ppm2 6.136 CV 1
ASSI { 7198} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HD22)) 3.900 1.900 1.900 peak 7198 spectrum 1 weight 0.10000E+01 volume 0.11514E-02 ppm1 2.840 ppm2 6.145 CV 1
ASSI { 7216} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HN )) 3.700 1.700 1.700 peak 7216 spectrum 1 weight 0.10000E+01 volume 0.91701E-03 ppm1 3.084 ppm2 7.463 CV 1
ASSI { 7225} (( segid " " and resid 70 and name HB3 )) ( segid " " and resid 98 and name HG2%) 5.300 3.500 0.700 peak 7225 spectrum 1 weight 0.10000E+01 volume 0.56226E-03 ppm1 2.816 ppm2 0.924 CV 1
ASSI { 226} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 71 and name HA )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.16424E-01 ppm1 1.308 ppm2 3.634 CV 1
ASSI { 4631} (( segid " " and resid 71 and name HA )) (( segid " " and resid 65 and name HB )) 2.800 1.000 1.000 peak 4631 spectrum 1 weight 0.10000E+01 volume 0.32765E-02 ppm1 3.648 ppm2 2.143 CV 1
ASSI { 4632} (( segid " " and resid 71 and name HA )) ( segid " " and resid 65 and name HG2%) 2.000 2.000 4.000 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.52806E-02 ppm1 3.648 ppm2 0.941 CV 1
ASSI { 4674} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 65 and name HB )) 3.600 1.600 1.600 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.30969E-02 ppm1 1.308 ppm2 2.154 CV 1
ASSI { 4675} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 69 and name HD3 )) 2.300 2.300 3.700 peak 4675 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 1.312 ppm2 2.350 CV 1
ASSI { 4679} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 68 and name HA1 )) 2.900 1.100 1.100 peak 4679 spectrum 1 weight 0.10000E+01 volume 0.31916E-02 ppm1 1.312 ppm2 4.173 CV 1
ASSI { 4680} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 70 and name HA )) 2.600 2.600 3.400 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.46286E-02 ppm1 1.312 ppm2 4.629 CV 1
ASSI { 4681} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 72 and name HA1 )) 3.500 1.600 1.600 peak 4681 spectrum 1 weight 0.10000E+01 volume 0.21614E-02 ppm1 1.312 ppm2 4.435 CV 1
ASSI { 673} (( segid " " and resid 71 and name HN )) (( segid " " and resid 72 and name HN )) 3.700 1.700 1.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.19129E-02 ppm1 7.410 ppm2 9.124 CV 1
ASSI { 676} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.200 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.43873E-02 ppm1 7.410 ppm2 3.622 CV 1
ASSI { 678} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB3 )) 2.800 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.11729E-02 ppm1 7.410 ppm2 2.812 CV 1
ASSI { 679} (( segid " " and resid 71 and name HN )) (( segid " " and resid 65 and name HB )) 3.400 1.400 1.400 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11376E-02 ppm1 7.410 ppm2 2.159 CV 1
ASSI { 682} (( segid " " and resid 71 and name HN )) ( segid " " and resid 98 and name HG2%) 3.900 1.900 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.29043E-02 ppm1 7.410 ppm2 0.933 CV 1
ASSI { 7956} (( segid " " and resid 71 and name HA )) (( segid " " and resid 73 and name HN )) 4.000 2.000 2.000 peak 7956 spectrum 1 weight 0.10000E+01 volume 0.14156E-02 ppm1 3.648 ppm2 8.027 CV 1
ASSI { 7963} ( segid " " and resid 71 and name HB% ) (( segid " " and resid 71 and name HN )) 2.200 0.600 0.600 peak 7963 spectrum 1 weight 0.10000E+01 volume 0.12158E-01 ppm1 1.312 ppm2 7.446 CV 1
ASSI { 1221} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA1 )) 2.600 0.800 0.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.23659E-02 ppm1 9.110 ppm2 4.438 CV 1
ASSI { 1222} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.200 0.600 0.600 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.37743E-02 ppm1 9.110 ppm2 3.644 CV 1
ASSI { 1223} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA2 )) 3.100 1.200 1.200 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 9.110 ppm2 3.431 CV 1
ASSI { 1224} (( segid " " and resid 72 and name HN )) (( segid " " and resid 65 and name HB )) 3.500 1.500 1.500 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.18108E-02 ppm1 9.110 ppm2 2.122 CV 1
ASSI { 1225} (( segid " " and resid 72 and name HN )) ( segid " " and resid 71 and name HB% ) 3.100 1.200 1.200 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.24335E-02 ppm1 9.110 ppm2 1.306 CV 1
ASSI { 228} (( segid " " and resid 72 and name HA2 )) (( segid " " and resid 72 and name HA1 )) 2.000 0.500 0.500 peak 228 spectrum 1 weight 0.10000E+01 volume 0.89527E-02 ppm1 3.430 ppm2 4.450 CV 1
ASSI { 4009} (( segid " " and resid 72 and name HA1 )) ( segid " " and resid 64 and name HG1%) 3.300 1.400 1.400 peak 4009 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 4.452 ppm2 0.807 CV 1
ASSI { 6977} (( segid " " and resid 72 and name HA2 )) (( segid " " and resid 73 and name HN )) 3.300 1.300 1.300 peak 6977 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 3.430 ppm2 7.989 CV 1
ASSI { 1062} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.32634E-02 ppm1 7.992 ppm2 9.113 CV 1
ASSI { 1063} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA1 )) 3.000 1.100 1.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.21410E-02 ppm1 7.992 ppm2 4.404 CV 1
ASSI { 1064} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.400 0.700 0.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.31935E-02 ppm1 7.992 ppm2 4.190 CV 1
ASSI { 1065} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.100 0.600 0.600 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.42234E-02 ppm1 7.992 ppm2 3.716 CV 1
ASSI { 1066} (( segid " " and resid 73 and name HN )) (( segid " " and resid 147 and name HB2 )) 3.800 3.800 2.200 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.31227E-02 ppm1 7.992 ppm2 3.491 CV 1
ASSI { 1067} (( segid " " and resid 73 and name HN )) (( segid " " and resid 65 and name HB )) 3.600 1.700 1.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.28175E-02 ppm1 7.992 ppm2 2.126 CV 1
ASSI { 1070} (( segid " " and resid 73 and name HN )) ( segid " " and resid 65 and name HG2%) 1.900 0.500 0.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.35157E-02 ppm1 7.992 ppm2 0.964 CV 1
ASSI { 1427} (( segid " " and resid 73 and name HN )) (( segid " " and resid 65 and name HN )) 3.200 1.300 1.300 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.96969E-03 ppm1 7.992 ppm2 8.758 CV 1
ASSI { 1429} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HN )) 4.600 2.700 1.400 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.54036E-03 ppm1 7.992 ppm2 7.421 CV 1
ASSI { 1430} (( segid " " and resid 73 and name HN )) ( segid " " and resid 147 and name HD% ) 5.000 3.200 1.000 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.27967E-03 ppm1 7.992 ppm2 7.040 CV 1
ASSI { 1669} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HB2 )) 4.300 2.300 1.700 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.45423E-03 ppm1 7.992 ppm2 3.079 CV 1
ASSI { 235} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HB3 )) 1.900 0.400 0.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.76324E-02 ppm1 3.735 ppm2 3.539 CV 1
ASSI { 239} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.42386E-02 ppm1 4.228 ppm2 3.736 CV 1
ASSI { 240} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HB3 )) 2.500 0.800 0.800 peak 240 spectrum 1 weight 0.10000E+01 volume 0.45585E-02 ppm1 4.228 ppm2 3.566 CV 1
ASSI { 7700} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HA )) 3.300 1.400 1.400 peak 7700 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 4.245 ppm2 5.093 CV 1
ASSI { 1431} (( segid " " and resid 74 and name HN )) (( segid " " and resid 64 and name HA )) 4.500 2.600 1.500 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.34233E-03 ppm1 8.028 ppm2 4.818 CV 1
ASSI { 1866} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HD3 )) 2.900 1.100 1.100 peak 1866 spectrum 1 weight 0.10000E+01 volume 0.19161E-02 ppm1 7.096 ppm2 3.040 CV 1
ASSI { 1867} (( segid " " and resid 74 and name HE )) (( segid " " and resid 76 and name HB2 )) 3.300 3.300 2.700 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.17209E-02 ppm1 7.096 ppm2 1.635 CV 1
ASSI { 1868} (( segid " " and resid 74 and name HE )) (( segid " " and resid 92 and name HB )) 3.200 3.200 2.800 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.18253E-02 ppm1 7.096 ppm2 1.495 CV 1
ASSI { 1870} (( segid " " and resid 74 and name HE )) (( segid " " and resid 75 and name HA )) 4.300 2.300 1.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.32683E-03 ppm1 7.096 ppm2 5.456 CV 1
ASSI { 251} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB3 )) 1.700 0.400 0.500 peak 251 spectrum 1 weight 0.10000E+01 volume 0.12044E-01 ppm1 1.535 ppm2 1.563 CV 1
ASSI { 261} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HG2 )) 1.800 0.400 0.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.13433E-01 ppm1 1.424 ppm2 1.543 CV 1
ASSI { 270} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HG3 )) 2.700 0.900 0.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.47239E-02 ppm1 2.993 ppm2 1.457 CV 1
ASSI { 271} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HA )) 3.500 1.500 1.500 peak 271 spectrum 1 weight 0.10000E+01 volume 0.78209E-03 ppm1 3.099 ppm2 5.126 CV 1
ASSI { 275} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG3 )) 2.200 0.600 0.600 peak 275 spectrum 1 weight 0.10000E+01 volume 0.10721E-01 ppm1 3.099 ppm2 1.450 CV 1
ASSI { 4615} (( segid " " and resid 74 and name HA )) (( segid " " and resid 64 and name HA )) 2.300 0.700 0.700 peak 4615 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 5.119 ppm2 4.807 CV 1
ASSI { 4616} (( segid " " and resid 74 and name HA )) ( segid " " and resid 75 and name HE% ) 3.600 1.600 1.600 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.17682E-02 ppm1 5.132 ppm2 7.033 CV 1
ASSI { 4617} (( segid " " and resid 74 and name HA )) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.17326E-02 ppm1 5.132 ppm2 8.789 CV 1
ASSI { 6270} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 73 and name HB2 )) 4.400 2.400 1.600 peak 6270 spectrum 1 weight 0.10000E+01 volume 0.70871E-03 ppm1 2.993 ppm2 3.772 CV 1
ASSI { 6271} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 64 and name HA )) 4.300 2.300 1.700 peak 6271 spectrum 1 weight 0.10000E+01 volume 0.13950E-02 ppm1 2.993 ppm2 4.786 CV 1
ASSI { 6990} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HE )) 2.400 0.700 0.700 peak 6990 spectrum 1 weight 0.10000E+01 volume 0.43241E-02 ppm1 3.099 ppm2 7.132 CV 1
ASSI { 6991} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 6991 spectrum 1 weight 0.10000E+01 volume 0.10441E-02 ppm1 3.099 ppm2 8.048 CV 1
ASSI { 6993} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HA )) 4.600 2.600 1.400 peak 6993 spectrum 1 weight 0.10000E+01 volume 0.49467E-03 ppm1 2.993 ppm2 5.127 CV 1
ASSI { 6996} (( segid " " and resid 74 and name HD3 )) ( segid " " and resid 93 and name HD% ) 3.800 1.800 1.800 peak 6996 spectrum 1 weight 0.10000E+01 volume 0.15071E-02 ppm1 2.993 ppm2 7.153 CV 1
ASSI { 7568} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HN )) 3.100 1.200 1.200 peak 7568 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 1.424 ppm2 8.067 CV 1
ASSI { 955} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 3.700 1.800 1.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.67853E-03 ppm1 8.028 ppm2 9.137 CV 1
ASSI { 956} (( segid " " and resid 74 and name HN )) ( segid " " and resid 75 and name HE% ) 4.400 2.400 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.57322E-03 ppm1 8.028 ppm2 7.045 CV 1
ASSI { 957} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.700 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.18140E-02 ppm1 8.028 ppm2 5.088 CV 1
ASSI { 958} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 2.200 0.600 0.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.88695E-02 ppm1 8.028 ppm2 4.202 CV 1
ASSI { 960} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB3 )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.28005E-02 ppm1 8.028 ppm2 3.552 CV 1
ASSI { 961} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD3 )) 4.000 2.000 2.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.96808E-03 ppm1 8.028 ppm2 3.058 CV 1
ASSI { 962} (( segid " " and resid 74 and name HN )) (( segid " " and resid 92 and name HB )) 2.300 2.300 3.700 peak 962 spectrum 1 weight 0.10000E+01 volume 0.66262E-02 ppm1 8.028 ppm2 1.492 CV 1
ASSI { 1432} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.29388E-03 ppm1 9.129 ppm2 5.408 CV 1
ASSI { 1433} (( segid " " and resid 75 and name HN )) ( segid " " and resid 92 and name HG2%) 4.800 2.900 1.200 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.35317E-03 ppm1 9.129 ppm2 0.255 CV 1
ASSI { 1434} (( segid " " and resid 75 and name HN )) ( segid " " and resid 63 and name HD2%) 4.800 2.900 1.200 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.31075E-03 ppm1 9.129 ppm2 -0.075 CV 1
ASSI { 280} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB3 )) 2.900 1.100 1.100 peak 280 spectrum 1 weight 0.10000E+01 volume 0.77510E-03 ppm1 5.421 ppm2 2.770 CV 1
ASSI { 282} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 2.779 ppm2 3.020 CV 1
ASSI { 4467} (( segid " " and resid 75 and name HA )) ( segid " " and resid 84 and name HB% ) 4.800 2.800 1.200 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.60455E-03 ppm1 5.421 ppm2 1.189 CV 1
ASSI { 4468} (( segid " " and resid 75 and name HA )) (( segid " " and resid 64 and name HA )) 4.300 2.300 1.700 peak 4468 spectrum 1 weight 0.10000E+01 volume 0.89022E-03 ppm1 5.421 ppm2 4.857 CV 1
ASSI { 4469} (( segid " " and resid 75 and name HA )) (( segid " " and resid 92 and name HN )) 3.700 1.700 1.700 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 5.421 ppm2 8.486 CV 1
ASSI { 6419} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD% ) 3.200 1.300 1.300 peak 6419 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 5.421 ppm2 6.908 CV 1
ASSI { 6460} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 106 and name HB2 )) 3.200 1.300 1.300 peak 6460 spectrum 1 weight 0.10000E+01 volume 0.71672E-03 ppm1 6.876 ppm2 2.938 CV 1
ASSI { 7117} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 75 and name HD% ) 2.800 1.000 1.000 peak 7117 spectrum 1 weight 0.10000E+01 volume 0.12915E-02 ppm1 2.761 ppm2 6.895 CV 1
ASSI { 794} (( segid " " and resid 75 and name HN )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.18253E-02 ppm1 9.129 ppm2 8.609 CV 1
ASSI { 796} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HE% ) 3.700 1.700 1.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.20711E-02 ppm1 9.129 ppm2 7.023 CV 1
ASSI { 797} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 2.300 0.600 0.600 peak 797 spectrum 1 weight 0.10000E+01 volume 0.39727E-02 ppm1 9.129 ppm2 5.087 CV 1
ASSI { 799} (( segid " " and resid 75 and name HN )) (( segid " " and resid 106 and name HB2 )) 4.900 3.100 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 9.129 ppm2 2.904 CV 1
ASSI { 1637} (( segid " " and resid 76 and name HN )) ( segid " " and resid 92 and name HG2%) 3.600 1.600 1.600 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.75494E-03 ppm1 8.591 ppm2 0.311 CV 1
ASSI { 288} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.400 0.700 0.700 peak 288 spectrum 1 weight 0.10000E+01 volume 0.40495E-02 ppm1 4.487 ppm2 1.673 CV 1
ASSI { 293} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 293 spectrum 1 weight 0.10000E+01 volume 0.24862E-02 ppm1 1.372 ppm2 4.493 CV 1
ASSI { 294} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HB2 )) 1.800 0.400 0.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.99696E-02 ppm1 1.372 ppm2 1.670 CV 1
ASSI { 303} (( segid " " and resid 76 and name HG )) (( segid " " and resid 76 and name HA )) 2.600 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.25355E-02 ppm1 1.393 ppm2 4.495 CV 1
ASSI { 304} (( segid " " and resid 76 and name HG )) (( segid " " and resid 76 and name HB2 )) 2.100 0.500 0.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 1.393 ppm2 1.682 CV 1
ASSI { 310} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HB2 )) 2.200 0.600 0.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.84268E-02 ppm1 0.809 ppm2 1.673 CV 1
ASSI { 314} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.88855E-02 ppm1 0.856 ppm2 4.468 CV 1
ASSI { 4022} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HN )) 4.300 2.300 1.700 peak 4022 spectrum 1 weight 0.10000E+01 volume 0.10932E-02 ppm1 1.659 ppm2 8.837 CV 1
ASSI { 4023} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 77 and name HN )) 4.100 2.100 1.900 peak 4023 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 1.369 ppm2 8.847 CV 1
ASSI { 413} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HA )) 2.600 0.800 0.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.14806E-02 ppm1 8.591 ppm2 5.412 CV 1
ASSI { 419} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.24358E-02 ppm1 8.573 ppm2 4.501 CV 1
ASSI { 423} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 2.100 0.600 0.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.60809E-02 ppm1 8.573 ppm2 1.347 CV 1
ASSI { 4274} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 77 and name HN )) 4.100 2.100 1.900 peak 4274 spectrum 1 weight 0.10000E+01 volume 0.13242E-02 ppm1 0.809 ppm2 8.842 CV 1
ASSI { 4279} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 60 and name HB2 )) 3.500 1.600 1.600 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.18949E-02 ppm1 0.809 ppm2 3.825 CV 1
ASSI { 4280} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 78 and name HB2 )) 3.100 1.200 1.200 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.17376E-02 ppm1 0.809 ppm2 2.807 CV 1
ASSI { 4281} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 78 and name HB3 )) 3.100 1.200 1.200 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.28242E-02 ppm1 0.809 ppm2 2.452 CV 1
ASSI { 4282} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 79 and name HB3 )) 3.700 1.700 1.700 peak 4282 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 0.809 ppm2 1.936 CV 1
ASSI { 4307} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 77 and name HN )) 3.000 1.100 1.100 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.56888E-02 ppm1 0.855 ppm2 8.851 CV 1
ASSI { 4308} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 76 and name HN )) 3.000 1.100 1.100 peak 4308 spectrum 1 weight 0.10000E+01 volume 0.61937E-02 ppm1 0.865 ppm2 8.586 CV 1
ASSI { 4309} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 60 and name HB2 )) 3.200 3.200 2.800 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.62708E-02 ppm1 0.864 ppm2 3.860 CV 1
ASSI { 4312} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 82 and name HA )) 3.400 1.500 1.500 peak 4312 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 0.865 ppm2 4.925 CV 1
ASSI { 4313} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 60 and name HA )) 4.200 2.200 1.800 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 0.866 ppm2 5.207 CV 1
ASSI { 6209} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 60 and name HB3 )) 3.800 1.800 1.800 peak 6209 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 0.809 ppm2 3.737 CV 1
ASSI { 7002} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.900 1.000 1.000 peak 7002 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 1.659 ppm2 8.603 CV 1
ASSI { 7538} (( segid " " and resid 76 and name HG )) (( segid " " and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 7538 spectrum 1 weight 0.10000E+01 volume 0.19079E-02 ppm1 1.393 ppm2 2.870 CV 1
ASSI { 7539} (( segid " " and resid 76 and name HG )) (( segid " " and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 7539 spectrum 1 weight 0.10000E+01 volume 0.88281E-03 ppm1 1.393 ppm2 3.823 CV 1
ASSI { 7648} ( segid " " and resid 76 and name HD1%) (( segid " " and resid 76 and name HN )) 3.600 1.600 1.600 peak 7648 spectrum 1 weight 0.10000E+01 volume 0.33794E-02 ppm1 0.809 ppm2 8.574 CV 1
ASSI { 8083} ( segid " " and resid 76 and name HD2%) (( segid " " and resid 78 and name HB2 )) 3.500 1.500 1.500 peak 8083 spectrum 1 weight 0.10000E+01 volume 0.13168E-02 ppm1 0.864 ppm2 2.819 CV 1
ASSI { 1723} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 8.824 ppm2 4.791 CV 1
ASSI { 313} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.400 0.700 0.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.41656E-02 ppm1 8.824 ppm2 4.481 CV 1
ASSI { 319} (( segid " " and resid 77 and name HN )) ( segid " " and resid 92 and name HG2%) 4.000 2.000 2.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.88292E-03 ppm1 8.824 ppm2 0.258 CV 1
ASSI { 323} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) 3.600 1.700 1.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.88910E-03 ppm1 4.785 ppm2 1.367 CV 1
ASSI { 325} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HB3 )) 2.100 0.600 0.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.29921E-02 ppm1 1.381 ppm2 1.224 CV 1
ASSI { 327} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) 2.900 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.21417E-02 ppm1 1.381 ppm2 0.542 CV 1
ASSI { 328} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) 3.200 1.300 1.300 peak 328 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 1.381 ppm2 0.321 CV 1
ASSI { 332} (( segid " " and resid 77 and name HB3 )) ( segid " " and resid 77 and name HD2%) 2.900 1.000 1.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.20612E-02 ppm1 1.202 ppm2 0.319 CV 1
ASSI { 333} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HA )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.98953E-03 ppm1 1.205 ppm2 4.785 CV 1
ASSI { 335} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.12207E-02 ppm1 1.213 ppm2 4.806 CV 1
ASSI { 336} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB2 )) 2.500 0.800 0.800 peak 336 spectrum 1 weight 0.10000E+01 volume 0.43954E-02 ppm1 1.213 ppm2 1.381 CV 1
ASSI { 338} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD1%) 2.400 0.700 0.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.53755E-02 ppm1 1.213 ppm2 0.548 CV 1
ASSI { 339} (( segid " " and resid 77 and name HG )) ( segid " " and resid 77 and name HD2%) 2.600 0.800 0.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 1.213 ppm2 0.316 CV 1
ASSI { 341} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 63 and name HG )) 3.100 1.200 1.200 peak 341 spectrum 1 weight 0.10000E+01 volume 0.21741E-02 ppm1 0.307 ppm2 1.292 CV 1
ASSI { 345} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.67570E-02 ppm1 0.535 ppm2 4.794 CV 1
ASSI { 349} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 77 and name HD2%) 2.100 0.500 0.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.14924E-01 ppm1 0.535 ppm2 0.321 CV 1
ASSI { 4222} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HN )) 3.000 1.200 1.200 peak 4222 spectrum 1 weight 0.10000E+01 volume 0.14783E-02 ppm1 1.213 ppm2 8.871 CV 1
ASSI { 4305} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 75 and name HE% ) 4.000 2.000 2.000 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.88910E-03 ppm1 0.307 ppm2 6.974 CV 1
ASSI { 4306} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 63 and name HD2%) 3.100 1.200 1.200 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.45336E-02 ppm1 0.314 ppm2 -0.072 CV 1
ASSI { 4343} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 75 and name HB3 )) 3.300 1.400 1.400 peak 4343 spectrum 1 weight 0.10000E+01 volume 0.22313E-02 ppm1 0.535 ppm2 2.746 CV 1
ASSI { 4344} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 75 and name HB2 )) 2.700 0.900 0.900 peak 4344 spectrum 1 weight 0.10000E+01 volume 0.28517E-02 ppm1 0.535 ppm2 2.989 CV 1
ASSI { 4347} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 113 and name HD% ) 3.300 1.300 1.300 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.26264E-02 ppm1 0.535 ppm2 7.179 CV 1
ASSI { 4348} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 63 and name HN )) 2.800 1.000 1.000 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.36286E-02 ppm1 0.535 ppm2 8.594 CV 1
ASSI { 4349} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HN )) 2.800 1.000 1.000 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.27709E-02 ppm1 0.535 ppm2 8.809 CV 1
ASSI { 4350} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 106 and name HN )) 4.300 2.300 1.700 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.81252E-03 ppm1 0.535 ppm2 9.389 CV 1
ASSI { 4351} ( segid " " and resid 77 and name HD1%) ( segid " " and resid 63 and name HD2%) 3.100 1.200 1.200 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.54683E-02 ppm1 0.535 ppm2 -0.083 CV 1
ASSI { 7097} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) 3.100 1.200 1.200 peak 7097 spectrum 1 weight 0.10000E+01 volume 0.70692E-03 ppm1 1.381 ppm2 8.843 CV 1
ASSI { 7100} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 78 and name HN )) 3.500 1.500 1.500 peak 7100 spectrum 1 weight 0.10000E+01 volume 0.10403E-02 ppm1 1.206 ppm2 8.537 CV 1
ASSI { 7101} (( segid " " and resid 77 and name HB3 )) (( segid " " and resid 77 and name HN )) 4.000 2.000 2.000 peak 7101 spectrum 1 weight 0.10000E+01 volume 0.62787E-03 ppm1 1.211 ppm2 8.855 CV 1
ASSI { 7589} (( segid " " and resid 77 and name HG )) (( segid " " and resid 63 and name HN )) 3.700 1.700 1.700 peak 7589 spectrum 1 weight 0.10000E+01 volume 0.10492E-02 ppm1 1.213 ppm2 8.618 CV 1
ASSI { 7590} (( segid " " and resid 77 and name HG )) ( segid " " and resid 113 and name HD% ) 4.300 2.300 1.700 peak 7590 spectrum 1 weight 0.10000E+01 volume 0.59823E-03 ppm1 1.213 ppm2 7.127 CV 1
ASSI { 7682} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.900 1.100 1.100 peak 7682 spectrum 1 weight 0.10000E+01 volume 0.17605E-02 ppm1 0.307 ppm2 3.003 CV 1
ASSI { 7685} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 7685 spectrum 1 weight 0.10000E+01 volume 0.14623E-02 ppm1 0.307 ppm2 4.798 CV 1
ASSI { 7686} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 62 and name HA )) 3.100 1.200 1.200 peak 7686 spectrum 1 weight 0.10000E+01 volume 0.12125E-02 ppm1 0.307 ppm2 4.931 CV 1
ASSI { 7689} ( segid " " and resid 77 and name HD2%) ( segid " " and resid 113 and name HD% ) 3.100 1.200 1.200 peak 7689 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 0.307 ppm2 7.164 CV 1
ASSI { 7690} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 63 and name HN )) 3.200 1.300 1.300 peak 7690 spectrum 1 weight 0.10000E+01 volume 0.17376E-02 ppm1 0.307 ppm2 8.613 CV 1
ASSI { 7691} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HN )) 3.000 1.100 1.100 peak 7691 spectrum 1 weight 0.10000E+01 volume 0.20455E-02 ppm1 0.307 ppm2 8.839 CV 1
ASSI { 7768} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 78 and name HN )) 3.100 1.200 1.200 peak 7768 spectrum 1 weight 0.10000E+01 volume 0.27924E-02 ppm1 0.535 ppm2 8.531 CV 1
ASSI { 7774} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 107 and name HN )) 3.900 1.900 1.900 peak 7774 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 0.595 ppm2 9.678 CV 1
ASSI { 1437} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HB3 )) 4.500 2.600 1.500 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.44982E-03 ppm1 8.525 ppm2 1.921 CV 1
ASSI { 1666} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HA )) 4.100 2.100 1.900 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.77351E-03 ppm1 8.525 ppm2 4.644 CV 1
ASSI { 351} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB2 )) 2.700 0.900 0.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.25877E-02 ppm1 4.813 ppm2 2.815 CV 1
ASSI { 352} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HB3 )) 2.900 1.000 1.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.30297E-02 ppm1 4.813 ppm2 2.488 CV 1
ASSI { 353} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HB3 )) 1.900 0.400 0.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.87589E-02 ppm1 2.805 ppm2 2.459 CV 1
ASSI { 4072} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 76 and name HG )) 3.600 1.700 1.700 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 2.503 ppm2 1.377 CV 1
ASSI { 4666} (( segid " " and resid 78 and name HA )) ( segid " " and resid 113 and name HD% ) 3.800 1.800 1.800 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.82823E-03 ppm1 4.813 ppm2 7.193 CV 1
ASSI { 4667} (( segid " " and resid 78 and name HA )) (( segid " " and resid 77 and name HN )) 3.800 1.900 1.900 peak 4667 spectrum 1 weight 0.10000E+01 volume 0.95895E-03 ppm1 4.798 ppm2 8.853 CV 1
ASSI { 7129} (( segid " " and resid 78 and name HB3 )) (( segid " " and resid 79 and name HN )) 3.500 1.600 1.600 peak 7129 spectrum 1 weight 0.10000E+01 volume 0.60632E-03 ppm1 2.478 ppm2 7.568 CV 1
ASSI { 811} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 2.500 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.29990E-02 ppm1 8.525 ppm2 7.563 CV 1
ASSI { 814} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.500 1.600 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.11360E-02 ppm1 8.525 ppm2 2.466 CV 1
ASSI { 1121} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HN )) 3.000 3.000 3.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.65766E-02 ppm1 7.562 ppm2 8.553 CV 1
ASSI { 1122} (( segid " " and resid 79 and name HN )) ( segid " " and resid 113 and name HD% ) 3.900 3.900 2.100 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.66199E-03 ppm1 7.562 ppm2 7.203 CV 1
ASSI { 1124} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 7.562 ppm2 4.622 CV 1
ASSI { 1125} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.900 1.900 1.900 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.89417E-03 ppm1 7.562 ppm2 2.802 CV 1
ASSI { 1128} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB3 )) 2.700 0.900 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.25411E-02 ppm1 7.562 ppm2 1.934 CV 1
ASSI { 1129} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HG2%) 3.700 1.700 1.700 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.73012E-03 ppm1 7.562 ppm2 1.195 CV 1
ASSI { 1130} (( segid " " and resid 79 and name HN )) ( segid " " and resid 108 and name HD1%) 3.300 3.300 2.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.10074E-02 ppm1 7.562 ppm2 0.488 CV 1
ASSI { 1438} (( segid " " and resid 79 and name HN )) ( segid " " and resid 76 and name HD2%) 3.500 1.600 1.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.44668E-03 ppm1 7.562 ppm2 0.810 CV 1
ASSI { 1794} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HB2 )) 3.000 1.100 1.100 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.35446E-02 ppm1 7.629 ppm2 2.311 CV 1
ASSI { 1795} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 79 and name HG2 )) 2.300 0.600 0.600 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.32634E-02 ppm1 7.629 ppm2 2.453 CV 1
ASSI { 1796} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 82 and name HA )) 3.300 1.400 1.400 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.99057E-03 ppm1 7.629 ppm2 4.890 CV 1
ASSI { 1803} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 82 and name HA )) 3.300 1.400 1.400 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.81624E-03 ppm1 6.751 ppm2 4.890 CV 1
ASSI { 1804} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HG2 )) 3.600 1.600 1.600 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.20245E-02 ppm1 6.751 ppm2 2.444 CV 1
ASSI { 1805} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.21057E-02 ppm1 6.751 ppm2 2.311 CV 1
ASSI { 1807} (( segid " " and resid 79 and name HE22)) ( segid " " and resid 82 and name HG2%) 4.400 2.400 1.600 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.52798E-03 ppm1 6.751 ppm2 1.197 CV 1
ASSI { 1849} (( segid " " and resid 79 and name HE22)) (( segid " " and resid 81 and name HA )) 5.000 3.100 1.000 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.17482E-03 ppm1 6.751 ppm2 4.581 CV 1
ASSI { 1850} (( segid " " and resid 79 and name HE21)) (( segid " " and resid 81 and name HA )) 4.500 2.600 1.500 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.33357E-03 ppm1 7.629 ppm2 4.588 CV 1
ASSI { 361} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HG3 )) 3.000 1.100 1.100 peak 361 spectrum 1 weight 0.10000E+01 volume 0.39328E-02 ppm1 4.630 ppm2 2.354 CV 1
ASSI { 362} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.59498E-02 ppm1 4.636 ppm2 2.267 CV 1
ASSI { 366} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HG3 )) 2.300 0.600 0.600 peak 366 spectrum 1 weight 0.10000E+01 volume 0.72837E-02 ppm1 2.306 ppm2 2.368 CV 1
ASSI { 368} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HB3 )) 1.800 0.400 0.400 peak 368 spectrum 1 weight 0.10000E+01 volume 0.12374E-01 ppm1 2.306 ppm2 1.964 CV 1
ASSI { 369} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HG2 )) 2.300 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.38202E-02 ppm1 1.966 ppm2 2.487 CV 1
ASSI { 370} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.21799E-02 ppm1 1.966 ppm2 4.647 CV 1
ASSI { 371} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 79 and name HG3 )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.89249E-02 ppm1 1.966 ppm2 2.375 CV 1
ASSI { 381} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HG3 )) 1.700 0.300 0.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.15893E-01 ppm1 2.500 ppm2 2.367 CV 1
ASSI { 382} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 79 and name HB2 )) 2.500 0.800 0.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.82739E-02 ppm1 2.478 ppm2 2.294 CV 1
ASSI { 6211} (( segid " " and resid 79 and name HA )) ( segid " " and resid 80 and name HB% ) 3.400 1.400 1.400 peak 6211 spectrum 1 weight 0.10000E+01 volume 0.29744E-02 ppm1 4.647 ppm2 1.523 CV 1
ASSI { 7349} (( segid " " and resid 79 and name HG2 )) (( segid " " and resid 81 and name HN )) 4.300 2.300 1.700 peak 7349 spectrum 1 weight 0.10000E+01 volume 0.93241E-03 ppm1 2.501 ppm2 7.987 CV 1
ASSI { 7350} (( segid " " and resid 79 and name HG3 )) (( segid " " and resid 79 and name HE22)) 4.000 2.000 2.000 peak 7350 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 2.383 ppm2 6.789 CV 1
ASSI { 7426} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 80 and name HN )) 2.700 0.900 0.900 peak 7426 spectrum 1 weight 0.10000E+01 volume 0.20792E-02 ppm1 2.306 ppm2 8.638 CV 1
ASSI { 8169} (( segid " " and resid 79 and name HB3 )) (( segid " " and resid 80 and name HN )) 3.800 1.800 1.800 peak 8169 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 1.966 ppm2 8.641 CV 1
ASSI { 2075} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB )) 2.900 2.900 3.100 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.53786E-02 ppm1 8.572 ppm2 1.761 CV 1
ASSI { 2153} (( segid " " and resid 80 and name HN )) ( segid " " and resid 108 and name HD1%) 3.800 1.800 1.800 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.74248E-03 ppm1 8.615 ppm2 0.440 CV 1
ASSI { 387} (( segid " " and resid 80 and name HA )) ( segid " " and resid 80 and name HB% ) 2.000 0.500 0.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.19200E-01 ppm1 4.179 ppm2 1.526 CV 1
ASSI { 4553} (( segid " " and resid 80 and name HA )) (( segid " " and resid 108 and name HB3 )) 2.500 0.800 0.800 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.48854E-02 ppm1 4.179 ppm2 0.914 CV 1
ASSI { 4554} (( segid " " and resid 80 and name HA )) (( segid " " and resid 108 and name HN )) 3.400 1.500 1.500 peak 4554 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 4.176 ppm2 8.953 CV 1
ASSI { 4633} ( segid " " and resid 80 and name HB% ) (( segid " " and resid 108 and name HB3 )) 2.800 1.000 1.000 peak 4633 spectrum 1 weight 0.10000E+01 volume 0.43241E-02 ppm1 1.513 ppm2 0.935 CV 1
ASSI { 4634} ( segid " " and resid 80 and name HB% ) ( segid " " and resid 81 and name HG2%) 2.800 1.000 1.000 peak 4634 spectrum 1 weight 0.10000E+01 volume 0.30079E-02 ppm1 1.513 ppm2 0.802 CV 1
ASSI { 4635} ( segid " " and resid 80 and name HB% ) ( segid " " and resid 108 and name HD1%) 3.500 1.500 1.500 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.25296E-02 ppm1 1.513 ppm2 0.456 CV 1
ASSI { 4638} ( segid " " and resid 80 and name HB% ) (( segid " " and resid 108 and name HN )) 3.400 1.400 1.400 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.16182E-02 ppm1 1.517 ppm2 8.931 CV 1
ASSI { 599} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HA )) 2.800 2.800 3.200 peak 599 spectrum 1 weight 0.10000E+01 volume 0.47439E-02 ppm1 8.615 ppm2 4.594 CV 1
ASSI { 600} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 2.800 1.000 1.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.29203E-02 ppm1 8.615 ppm2 4.162 CV 1
ASSI { 603} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HB% ) 2.200 0.600 0.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.10034E-01 ppm1 8.615 ppm2 1.485 CV 1
ASSI { 6089} (( segid " " and resid 80 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.600 0.800 0.800 peak 6089 spectrum 1 weight 0.10000E+01 volume 0.58340E-02 ppm1 4.179 ppm2 1.632 CV 1
ASSI { 7952} ( segid " " and resid 80 and name HB% ) (( segid " " and resid 79 and name HB2 )) 3.800 1.800 1.800 peak 7952 spectrum 1 weight 0.10000E+01 volume 0.15269E-02 ppm1 1.517 ppm2 2.306 CV 1
ASSI { 8170} (( segid " " and resid 80 and name HA )) ( segid " " and resid 108 and name HD2%) 3.600 1.600 1.600 peak 8170 spectrum 1 weight 0.10000E+01 volume 0.87510E-03 ppm1 4.170 ppm2 -0.185 CV 1
ASSI { 1153} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HN )) 2.600 0.900 0.900 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.37333E-02 ppm1 7.965 ppm2 8.622 CV 1
ASSI { 1155} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.21554E-02 ppm1 7.965 ppm2 4.606 CV 1
ASSI { 1156} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.16855E-02 ppm1 7.965 ppm2 4.157 CV 1
ASSI { 1157} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.800 1.000 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 7.965 ppm2 2.311 CV 1
ASSI { 1158} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HB3 )) 4.000 2.000 2.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.16068E-02 ppm1 7.965 ppm2 1.924 CV 1
ASSI { 1160} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HB% ) 2.300 0.700 0.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.89176E-02 ppm1 7.965 ppm2 1.487 CV 1
ASSI { 1161} (( segid " " and resid 81 and name HN )) (( segid " " and resid 108 and name HB3 )) 3.300 3.300 2.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 7.965 ppm2 0.951 CV 1
ASSI { 1162} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HD1%) 3.100 1.200 1.200 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.26850E-02 ppm1 7.965 ppm2 0.739 CV 1
ASSI { 1440} (( segid " " and resid 81 and name HN )) (( segid " " and resid 107 and name HA )) 4.900 3.000 1.100 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.33043E-03 ppm1 7.965 ppm2 5.426 CV 1
ASSI { 4750} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 107 and name HA )) 3.600 1.600 1.600 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.23380E-02 ppm1 0.821 ppm2 5.435 CV 1
ASSI { 4751} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 82 and name HN )) 3.700 1.800 1.800 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.19332E-02 ppm1 0.821 ppm2 8.760 CV 1
ASSI { 6744} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 81 and name HB )) 2.100 0.500 0.500 peak 6744 spectrum 1 weight 0.10000E+01 volume 0.12242E-01 ppm1 0.810 ppm2 1.768 CV 1
ASSI { 6752} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 81 and name HA )) 3.000 1.100 1.100 peak 6752 spectrum 1 weight 0.10000E+01 volume 0.38038E-02 ppm1 0.810 ppm2 4.606 CV 1
ASSI { 8004} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 107 and name HE )) 3.500 1.600 1.600 peak 8004 spectrum 1 weight 0.10000E+01 volume 0.20474E-02 ppm1 0.821 ppm2 7.156 CV 1
ASSI { 8005} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 8005 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 0.821 ppm2 7.983 CV 1
ASSI { 8006} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 108 and name HN )) 3.700 1.800 1.800 peak 8006 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 0.821 ppm2 8.964 CV 1
ASSI { 8007} ( segid " " and resid 81 and name HG2%) (( segid " " and resid 107 and name HN )) 4.300 2.400 1.700 peak 8007 spectrum 1 weight 0.10000E+01 volume 0.85870E-03 ppm1 0.821 ppm2 9.699 CV 1
ASSI { 8362} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 8362 spectrum 1 weight 0.10000E+01 volume 0.37000E-02 ppm1 4.601 ppm2 8.782 CV 1
ASSI { 8363} (( segid " " and resid 81 and name HB )) (( segid " " and resid 81 and name HN )) 2.700 0.900 0.900 peak 8363 spectrum 1 weight 0.10000E+01 volume 0.47845E-02 ppm1 1.781 ppm2 7.996 CV 1
ASSI { 8365} (( segid " " and resid 81 and name HA )) (( segid " " and resid 81 and name HB )) 2.900 1.000 1.000 peak 8365 spectrum 1 weight 0.10000E+01 volume 0.13322E-02 ppm1 4.601 ppm2 1.765 CV 1
ASSI { 8372} (( segid " " and resid 81 and name HB )) (( segid " " and resid 108 and name HB3 )) 3.300 1.400 1.400 peak 8372 spectrum 1 weight 0.10000E+01 volume 0.21571E-02 ppm1 1.766 ppm2 0.954 CV 1
ASSI { 8372} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 107 and name HE )) 3.500 1.500 1.500 peak 8372 spectrum 1 weight 0.10000E+01 volume 0.23418E-02 ppm1 0.734 ppm2 7.116 CV 1
ASSI { 8374} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 8374 spectrum 1 weight 0.10000E+01 volume 0.88125E-03 ppm1 0.721 ppm2 9.349 CV 1
ASSI { 8375} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 8375 spectrum 1 weight 0.10000E+01 volume 0.49203E-02 ppm1 0.721 ppm2 8.769 CV 1
ASSI { 8377} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 82 and name HA )) 2.900 1.100 1.100 peak 8377 spectrum 1 weight 0.10000E+01 volume 0.17729E-02 ppm1 0.721 ppm2 4.934 CV 1
ASSI { 8378} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 81 and name HA )) 2.900 1.000 1.000 peak 8378 spectrum 1 weight 0.10000E+01 volume 0.63551E-02 ppm1 0.721 ppm2 4.596 CV 1
ASSI { 8380} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 81 and name HB )) 2.500 0.800 0.800 peak 8380 spectrum 1 weight 0.10000E+01 volume 0.15731E-01 ppm1 0.734 ppm2 1.768 CV 1
ASSI { 8380} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 82 and name HB )) 3.500 1.500 1.500 peak 8380 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 0.721 ppm2 4.100 CV 1
ASSI { 8383} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 105 and name HG3 )) 3.300 1.300 1.300 peak 8383 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 0.721 ppm2 1.971 CV 1
ASSI { 1443} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HN )) 4.300 2.300 1.700 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.37951E-03 ppm1 8.747 ppm2 10.614 CV 1
ASSI { 4125} (( segid " " and resid 82 and name HB )) (( segid " " and resid 82 and name HN )) 2.900 1.100 1.100 peak 4125 spectrum 1 weight 0.10000E+01 volume 0.17266E-02 ppm1 4.103 ppm2 8.772 CV 1
ASSI { 4126} (( segid " " and resid 82 and name HB )) (( segid " " and resid 106 and name HN )) 3.400 1.400 1.400 peak 4126 spectrum 1 weight 0.10000E+01 volume 0.12773E-02 ppm1 4.113 ppm2 9.382 CV 1
ASSI { 4131} (( segid " " and resid 82 and name HB )) (( segid " " and resid 75 and name HB2 )) 4.100 2.100 1.900 peak 4131 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 4.105 ppm2 3.009 CV 1
ASSI { 4132} (( segid " " and resid 82 and name HB )) (( segid " " and resid 91 and name HB3 )) 2.900 1.000 1.000 peak 4132 spectrum 1 weight 0.10000E+01 volume 0.11458E-02 ppm1 4.103 ppm2 2.770 CV 1
ASSI { 4270} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.900 1.000 1.000 peak 4270 spectrum 1 weight 0.10000E+01 volume 0.14838E-02 ppm1 4.936 ppm2 8.753 CV 1
ASSI { 431} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB )) 2.600 0.800 0.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.21383E-02 ppm1 4.936 ppm2 4.121 CV 1
ASSI { 435} (( segid " " and resid 82 and name HB )) ( segid " " and resid 84 and name HB% ) 3.200 1.300 1.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.66759E-02 ppm1 4.107 ppm2 1.177 CV 1
ASSI { 437} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 82 and name HB )) 2.400 0.700 0.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.37406E-02 ppm1 1.225 ppm2 4.117 CV 1
ASSI { 4381} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 92 and name HN )) 3.700 1.700 1.700 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.29130E-02 ppm1 1.225 ppm2 8.439 CV 1
ASSI { 4385} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 91 and name HB2 )) 3.100 1.200 1.200 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.32274E-02 ppm1 1.225 ppm2 3.248 CV 1
ASSI { 4390} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 92 and name HG2%) 2.800 1.000 1.000 peak 4390 spectrum 1 weight 0.10000E+01 volume 0.78044E-02 ppm1 1.225 ppm2 0.283 CV 1
ASSI { 4391} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 92 and name HD1%) 4.300 2.300 1.700 peak 4391 spectrum 1 weight 0.10000E+01 volume 0.13059E-02 ppm1 1.225 ppm2 -0.561 CV 1
ASSI { 4392} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 91 and name HA )) 3.500 1.500 1.500 peak 4392 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 1.225 ppm2 4.338 CV 1
ASSI { 4393} ( segid " " and resid 82 and name HG2%) ( segid " " and resid 75 and name HD% ) 3.700 1.700 1.700 peak 4393 spectrum 1 weight 0.10000E+01 volume 0.16868E-02 ppm1 1.225 ppm2 6.880 CV 1
ASSI { 7301} (( segid " " and resid 82 and name HB )) (( segid " " and resid 91 and name HN )) 3.700 1.700 1.700 peak 7301 spectrum 1 weight 0.10000E+01 volume 0.15377E-02 ppm1 4.103 ppm2 8.280 CV 1
ASSI { 7792} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 79 and name HE21)) 2.800 1.000 1.000 peak 7792 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 1.225 ppm2 7.646 CV 1
ASSI { 7793} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 106 and name HN )) 4.400 2.400 1.600 peak 7793 spectrum 1 weight 0.10000E+01 volume 0.49723E-03 ppm1 1.225 ppm2 9.384 CV 1
ASSI { 7794} ( segid " " and resid 82 and name HG2%) (( segid " " and resid 83 and name HN )) 3.700 1.700 1.700 peak 7794 spectrum 1 weight 0.10000E+01 volume 0.21543E-02 ppm1 1.225 ppm2 10.583 CV 1
ASSI { 1448} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HE21)) 4.800 2.800 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.29717E-03 ppm1 10.578 ppm2 7.630 CV 1
ASSI { 1450} (( segid " " and resid 83 and name HN )) ( segid " " and resid 81 and name HD1%) 3.700 1.700 1.700 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.45126E-03 ppm1 10.578 ppm2 0.723 CV 1
ASSI { 343} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.36748E-02 ppm1 10.578 ppm2 4.893 CV 1
ASSI { 344} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 3.200 1.300 1.300 peak 344 spectrum 1 weight 0.10000E+01 volume 0.67227E-03 ppm1 10.578 ppm2 4.693 CV 1
ASSI { 345} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB2 )) 2.900 1.000 1.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.10573E-02 ppm1 10.578 ppm2 4.283 CV 1
ASSI { 346} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.700 1.800 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.10854E-02 ppm1 10.578 ppm2 4.013 CV 1
ASSI { 348} (( segid " " and resid 83 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.500 1.500 1.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 10.578 ppm2 2.770 CV 1
ASSI { 349} (( segid " " and resid 83 and name HN )) ( segid " " and resid 84 and name HB% ) 3.300 3.300 2.700 peak 349 spectrum 1 weight 0.10000E+01 volume 0.22640E-02 ppm1 10.578 ppm2 1.187 CV 1
ASSI { 4171} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 84 and name HN )) 3.200 1.300 1.300 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.12251E-02 ppm1 4.003 ppm2 8.832 CV 1
ASSI { 440} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB2 )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.41660E-02 ppm1 4.699 ppm2 4.295 CV 1
ASSI { 441} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB3 )) 2.700 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.15849E-02 ppm1 4.699 ppm2 4.006 CV 1
ASSI { 442} (( segid " " and resid 83 and name HB3 )) (( segid " " and resid 83 and name HB2 )) 2.100 0.500 0.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.38517E-02 ppm1 4.003 ppm2 4.297 CV 1
ASSI { 7496} (( segid " " and resid 83 and name HB2 )) (( segid " " and resid 85 and name HN )) 3.800 1.800 1.800 peak 7496 spectrum 1 weight 0.10000E+01 volume 0.64229E-03 ppm1 4.303 ppm2 8.387 CV 1
ASSI { 1454} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 4.400 2.400 1.600 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.33405E-03 ppm1 8.824 ppm2 10.562 CV 1
ASSI { 4403} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 103 and name HD2 )) 2.100 0.600 0.600 peak 4403 spectrum 1 weight 0.10000E+01 volume 0.75296E-02 ppm1 1.179 ppm2 6.766 CV 1
ASSI { 4404} ( segid " " and resid 84 and name HB% ) ( segid " " and resid 75 and name HD% ) 2.300 0.700 0.700 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.67075E-02 ppm1 1.179 ppm2 6.882 CV 1
ASSI { 4410} ( segid " " and resid 84 and name HB% ) ( segid " " and resid 92 and name HD1%) 3.400 1.400 1.400 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.38558E-02 ppm1 1.179 ppm2 -0.542 CV 1
ASSI { 450} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 450 spectrum 1 weight 0.10000E+01 volume 0.68379E-02 ppm1 1.179 ppm2 5.692 CV 1
ASSI { 558} (( segid " " and resid 84 and name HN )) (( segid " " and resid 106 and name HN )) 4.000 2.000 2.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.82829E-03 ppm1 8.824 ppm2 9.368 CV 1
ASSI { 561} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HA )) 2.800 0.900 0.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.10388E-02 ppm1 8.824 ppm2 5.664 CV 1
ASSI { 563} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 2.300 0.600 0.600 peak 563 spectrum 1 weight 0.10000E+01 volume 0.28625E-02 ppm1 8.824 ppm2 4.675 CV 1
ASSI { 564} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HB2 )) 3.500 1.500 1.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.16132E-02 ppm1 8.824 ppm2 4.289 CV 1
ASSI { 569} (( segid " " and resid 84 and name HN )) ( segid " " and resid 84 and name HB% ) 2.300 0.600 0.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.38731E-02 ppm1 8.824 ppm2 1.152 CV 1
ASSI { 570} (( segid " " and resid 84 and name HN )) ( segid " " and resid 92 and name HG2%) 3.500 1.500 1.500 peak 570 spectrum 1 weight 0.10000E+01 volume 0.76626E-03 ppm1 8.824 ppm2 0.271 CV 1
ASSI { 7833} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 87 and name HD2 )) 4.500 2.500 1.500 peak 7833 spectrum 1 weight 0.10000E+01 volume 0.90574E-03 ppm1 1.162 ppm2 6.555 CV 1
ASSI { 8174} (( segid " " and resid 84 and name HA )) ( segid " " and resid 92 and name HG2%) 2.500 0.800 0.800 peak 8174 spectrum 1 weight 0.10000E+01 volume 0.15878E-02 ppm1 5.680 ppm2 0.272 CV 1
ASSI { 1329} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.200 0.600 0.600 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.40483E-02 ppm1 8.396 ppm2 5.663 CV 1
ASSI { 1331} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA1 )) 2.600 0.900 0.900 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 8.396 ppm2 4.385 CV 1
ASSI { 1332} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA2 )) 2.700 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.13200E-02 ppm1 8.396 ppm2 3.902 CV 1
ASSI { 1455} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 4.000 2.000 2.000 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.49361E-03 ppm1 8.396 ppm2 8.827 CV 1
ASSI { 4002} (( segid " " and resid 85 and name HA1 )) (( segid " " and resid 86 and name HN )) 3.100 1.200 1.200 peak 4002 spectrum 1 weight 0.10000E+01 volume 0.17986E-02 ppm1 4.423 ppm2 8.311 CV 1
ASSI { 4003} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 86 and name HN )) 2.400 0.700 0.700 peak 4003 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 3.927 ppm2 8.311 CV 1
ASSI { 452} (( segid " " and resid 85 and name HA2 )) (( segid " " and resid 85 and name HA1 )) 1.900 0.400 0.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.29426E-02 ppm1 3.927 ppm2 4.426 CV 1
ASSI { 1456} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 3.900 1.900 1.900 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.56519E-03 ppm1 8.269 ppm2 9.139 CV 1
ASSI { 1877} (( segid " " and resid 86 and name HE )) (( segid " " and resid 86 and name HB3 )) 2.900 1.000 1.000 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.97532E-03 ppm1 7.925 ppm2 1.683 CV 1
ASSI { 1878} (( segid " " and resid 86 and name HE )) ( segid " " and resid 27 and name HG2%) 3.400 1.400 1.400 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.60462E-03 ppm1 7.925 ppm2 1.392 CV 1
ASSI { 1924} (( segid " " and resid 86 and name HE )) ( segid " " and resid 99 and name HG2%) 4.500 2.600 1.500 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.47175E-03 ppm1 7.925 ppm2 1.053 CV 1
ASSI { 1927} (( segid " " and resid 86 and name HE )) (( segid " " and resid 97 and name HA )) 3.900 1.900 1.900 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.63613E-03 ppm1 7.925 ppm2 3.979 CV 1
ASSI { 1966} (( segid " " and resid 86 and name HN )) (( segid " " and resid 99 and name HB )) 2.500 2.500 3.500 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.28375E-02 ppm1 8.220 ppm2 2.585 CV 1
ASSI { 4217} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 97 and name HA )) 2.900 1.100 1.100 peak 4217 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 1.506 ppm2 3.989 CV 1
ASSI { 459} (( segid " " and resid 86 and name HA )) (( segid " " and resid 101 and name HG2 )) 3.800 3.800 2.200 peak 459 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 4.645 ppm2 1.839 CV 1
ASSI { 460} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HB3 )) 2.700 0.900 0.900 peak 460 spectrum 1 weight 0.10000E+01 volume 0.26453E-02 ppm1 4.646 ppm2 1.723 CV 1
ASSI { 464} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HD2 )) 2.600 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19384E-02 ppm1 1.710 ppm2 3.206 CV 1
ASSI { 465} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HD3 )) 3.300 1.300 1.300 peak 465 spectrum 1 weight 0.10000E+01 volume 0.19663E-02 ppm1 1.709 ppm2 3.097 CV 1
ASSI { 468} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HG2 )) 2.100 2.100 3.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.13360E-01 ppm1 1.693 ppm2 1.618 CV 1
ASSI { 469} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 86 and name HG3 )) 2.200 0.600 0.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.95488E-02 ppm1 1.693 ppm2 1.514 CV 1
ASSI { 470} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HA )) 2.400 0.700 0.700 peak 470 spectrum 1 weight 0.10000E+01 volume 0.24728E-02 ppm1 1.785 ppm2 4.655 CV 1
ASSI { 471} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HD2 )) 3.500 1.500 1.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 1.785 ppm2 3.207 CV 1
ASSI { 472} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HD3 )) 3.900 1.900 1.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.10836E-02 ppm1 1.785 ppm2 3.102 CV 1
ASSI { 474} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HB3 )) 1.600 0.300 0.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13468E-01 ppm1 1.785 ppm2 1.699 CV 1
ASSI { 475} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG2 )) 2.400 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.65725E-02 ppm1 1.785 ppm2 1.618 CV 1
ASSI { 476} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 86 and name HG3 )) 1.900 0.500 0.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.89684E-02 ppm1 1.797 ppm2 1.525 CV 1
ASSI { 483} (( segid " " and resid 86 and name HG3 )) (( segid " " and resid 86 and name HG2 )) 1.500 0.300 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.25386E-01 ppm1 1.506 ppm2 1.607 CV 1
ASSI { 492} (( segid " " and resid 86 and name HG2 )) (( segid " " and resid 86 and name HA )) 2.900 1.000 1.000 peak 492 spectrum 1 weight 0.10000E+01 volume 0.18346E-02 ppm1 1.610 ppm2 4.657 CV 1
ASSI { 493} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HA )) 3.700 1.700 1.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.15625E-02 ppm1 3.093 ppm2 4.627 CV 1
ASSI { 494} (( segid " " and resid 86 and name HD3 )) (( segid " " and resid 86 and name HD2 )) 1.600 0.300 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.15140E-01 ppm1 3.094 ppm2 3.215 CV 1
ASSI { 500} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HA )) 3.200 1.300 1.300 peak 500 spectrum 1 weight 0.10000E+01 volume 0.18318E-02 ppm1 3.191 ppm2 4.638 CV 1
ASSI { 505} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HG2 )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.37225E-02 ppm1 3.191 ppm2 1.641 CV 1
ASSI { 506} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HG3 )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.42513E-02 ppm1 3.191 ppm2 1.521 CV 1
ASSI { 7037} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 86 and name HE )) 3.200 1.300 1.300 peak 7037 spectrum 1 weight 0.10000E+01 volume 0.71225E-03 ppm1 3.191 ppm2 7.945 CV 1
ASSI { 7039} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 101 and name HE )) 3.500 1.500 1.500 peak 7039 spectrum 1 weight 0.10000E+01 volume 0.98953E-03 ppm1 3.191 ppm2 6.795 CV 1
ASSI { 7041} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 87 and name HA )) 3.100 1.200 1.200 peak 7041 spectrum 1 weight 0.10000E+01 volume 0.93992E-03 ppm1 3.191 ppm2 4.398 CV 1
ASSI { 7042} (( segid " " and resid 86 and name HD2 )) (( segid " " and resid 101 and name HA )) 2.700 0.900 0.900 peak 7042 spectrum 1 weight 0.10000E+01 volume 0.93875E-03 ppm1 3.191 ppm2 3.748 CV 1
ASSI { 7309} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 93 and name HA )) 3.800 3.800 2.200 peak 7309 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 1.805 ppm2 5.051 CV 1
ASSI { 7318} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 102 and name HA )) 4.600 2.600 1.400 peak 7318 spectrum 1 weight 0.10000E+01 volume 0.64131E-03 ppm1 1.805 ppm2 4.126 CV 1
ASSI { 7322} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 121 and name HN )) 3.300 3.300 2.700 peak 7322 spectrum 1 weight 0.10000E+01 volume 0.30890E-02 ppm1 1.713 ppm2 8.020 CV 1
ASSI { 7325} (( segid " " and resid 86 and name HB3 )) (( segid " " and resid 97 and name HN )) 4.000 2.000 2.000 peak 7325 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 1.713 ppm2 8.347 CV 1
ASSI { 806} (( segid " " and resid 86 and name HN )) (( segid " " and resid 101 and name HA )) 3.000 1.100 1.100 peak 806 spectrum 1 weight 0.10000E+01 volume 0.12236E-02 ppm1 8.269 ppm2 3.703 CV 1
ASSI { 808} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB3 )) 2.500 0.800 0.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.17434E-02 ppm1 8.269 ppm2 1.689 CV 1
ASSI { 810} (( segid " " and resid 86 and name HN )) ( segid " " and resid 99 and name HG1%) 3.200 1.200 1.200 peak 810 spectrum 1 weight 0.10000E+01 volume 0.14461E-02 ppm1 8.269 ppm2 1.115 CV 1
ASSI { 1459} (( segid " " and resid 87 and name HN )) ( segid " " and resid 99 and name HG2%) 4.400 2.400 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.45858E-03 ppm1 9.112 ppm2 1.088 CV 1
ASSI { 2158} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 87 and name HD2 )) 3.200 1.300 1.300 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.10002E-02 ppm1 9.239 ppm2 6.576 CV 1
ASSI { 2159} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 86 and name HD3 )) 3.700 3.700 2.300 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 9.239 ppm2 3.136 CV 1
ASSI { 2160} (( segid " " and resid 87 and name HD1 )) (( segid " " and resid 88 and name HB2 )) 4.700 2.800 1.300 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.57322E-03 ppm1 9.239 ppm2 1.951 CV 1
ASSI { 4155} (( segid " " and resid 87 and name HB3 )) (( segid " " and resid 87 and name HE1 )) 4.000 2.000 2.000 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.66609E-03 ppm1 2.760 ppm2 6.970 CV 1
ASSI { 435} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.600 0.800 0.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.19515E-02 ppm1 9.112 ppm2 4.396 CV 1
ASSI { 437} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HD2 )) 4.300 2.300 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.55354E-03 ppm1 9.112 ppm2 3.513 CV 1
ASSI { 438} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HD2 )) 3.800 1.800 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.57033E-03 ppm1 9.112 ppm2 3.168 CV 1
ASSI { 439} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HB3 )) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.19603E-02 ppm1 9.112 ppm2 2.801 CV 1
ASSI { 440} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB3 )) 3.800 1.800 1.800 peak 440 spectrum 1 weight 0.10000E+01 volume 0.12324E-02 ppm1 9.112 ppm2 1.723 CV 1
ASSI { 4477} (( segid " " and resid 87 and name HA )) (( segid " " and resid 88 and name HD3 )) 2.200 0.600 0.600 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.33834E-02 ppm1 4.381 ppm2 2.323 CV 1
ASSI { 512} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HB3 )) 2.200 0.600 0.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.25910E-02 ppm1 2.883 ppm2 2.768 CV 1
ASSI { 515} (( segid " " and resid 87 and name HA )) (( segid " " and resid 87 and name HB3 )) 2.600 0.900 0.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 4.381 ppm2 2.777 CV 1
ASSI { 6487} (( segid " " and resid 87 and name HE1 )) (( segid " " and resid 88 and name HD3 )) 4.400 2.400 1.600 peak 6487 spectrum 1 weight 0.10000E+01 volume 0.61196E-03 ppm1 6.986 ppm2 2.303 CV 1
ASSI { 7420} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) 3.000 1.100 1.100 peak 7420 spectrum 1 weight 0.10000E+01 volume 0.92213E-03 ppm1 2.883 ppm2 4.406 CV 1
ASSI { 7421} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HE1 )) 3.900 1.900 1.900 peak 7421 spectrum 1 weight 0.10000E+01 volume 0.66107E-03 ppm1 2.883 ppm2 7.028 CV 1
ASSI { 7422} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HN )) 2.900 1.100 1.100 peak 7422 spectrum 1 weight 0.10000E+01 volume 0.11210E-02 ppm1 2.883 ppm2 9.144 CV 1
ASSI { 4181} (( segid " " and resid 88 and name HA )) ( segid " " and resid 93 and name HD% ) 3.100 1.200 1.200 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.15089E-02 ppm1 3.740 ppm2 7.154 CV 1
ASSI { 4731} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.32985E-02 ppm1 3.492 ppm2 4.387 CV 1
ASSI { 517} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB2 )) 2.700 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.67570E-02 ppm1 3.740 ppm2 1.956 CV 1
ASSI { 519} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG3 )) 2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.60356E-02 ppm1 3.740 ppm2 1.644 CV 1
ASSI { 520} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HB3 )) 2.300 0.600 0.600 peak 520 spectrum 1 weight 0.10000E+01 volume 0.77233E-02 ppm1 3.740 ppm2 1.700 CV 1
ASSI { 522} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HB2 )) 2.000 0.500 0.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.70416E-02 ppm1 1.708 ppm2 1.945 CV 1
ASSI { 525} (( segid " " and resid 88 and name HB3 )) (( segid " " and resid 88 and name HG3 )) 1.800 0.400 0.400 peak 525 spectrum 1 weight 0.10000E+01 volume 0.21837E-01 ppm1 1.708 ppm2 1.643 CV 1
ASSI { 532} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HD2 )) 2.900 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.46561E-02 ppm1 1.646 ppm2 3.482 CV 1
ASSI { 534} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HB2 )) 2.800 1.000 1.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.65850E-02 ppm1 1.646 ppm2 1.914 CV 1
ASSI { 538} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HA )) 3.400 1.400 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.32985E-02 ppm1 1.754 ppm2 3.754 CV 1
ASSI { 539} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HD2 )) 2.300 0.700 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.48281E-02 ppm1 1.753 ppm2 3.489 CV 1
ASSI { 541} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HB2 )) 2.200 0.600 0.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.81600E-02 ppm1 1.752 ppm2 1.949 CV 1
ASSI { 545} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HD2 )) 2.000 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.57333E-02 ppm1 2.329 ppm2 3.488 CV 1
ASSI { 549} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HB3 )) 3.100 1.200 1.200 peak 549 spectrum 1 weight 0.10000E+01 volume 0.37135E-02 ppm1 2.329 ppm2 1.702 CV 1
ASSI { 550} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 88 and name HG3 )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.34408E-02 ppm1 2.329 ppm2 1.641 CV 1
ASSI { 553} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HB2 )) 2.900 1.100 1.100 peak 553 spectrum 1 weight 0.10000E+01 volume 0.25434E-02 ppm1 3.492 ppm2 1.953 CV 1
ASSI { 7508} (( segid " " and resid 88 and name HA )) (( segid " " and resid 90 and name HN )) 3.900 3.900 2.100 peak 7508 spectrum 1 weight 0.10000E+01 volume 0.96661E-03 ppm1 3.740 ppm2 8.080 CV 1
ASSI { 7511} (( segid " " and resid 88 and name HA )) (( segid " " and resid 89 and name HN )) 3.700 1.700 1.700 peak 7511 spectrum 1 weight 0.10000E+01 volume 0.68618E-03 ppm1 3.740 ppm2 10.776 CV 1
ASSI { 7513} (( segid " " and resid 88 and name HA )) (( segid " " and resid 87 and name HB3 )) 3.400 1.500 1.500 peak 7513 spectrum 1 weight 0.10000E+01 volume 0.90060E-03 ppm1 3.740 ppm2 2.752 CV 1
ASSI { 7559} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 89 and name HN )) 3.500 1.600 1.600 peak 7559 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 1.759 ppm2 10.779 CV 1
ASSI { 8177} (( segid " " and resid 88 and name HD3 )) (( segid " " and resid 89 and name HN )) 4.300 2.300 1.700 peak 8177 spectrum 1 weight 0.10000E+01 volume 0.70316E-03 ppm1 2.329 ppm2 10.774 CV 1
ASSI { 4672} (( segid " " and resid 89 and name HA )) (( segid " " and resid 90 and name HN )) 2.700 0.900 0.900 peak 4672 spectrum 1 weight 0.10000E+01 volume 0.27451E-02 ppm1 4.647 ppm2 8.104 CV 1
ASSI { 1002} (( segid " " and resid 90 and name HN )) (( segid " " and resid 87 and name HB3 )) 2.700 0.900 0.900 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 8.106 ppm2 2.754 CV 1
ASSI { 1430} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HB2 )) 2.000 0.500 0.500 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.69147E-02 ppm1 3.562 ppm2 3.570 CV 1
ASSI { 1466} (( segid " " and resid 90 and name HN )) ( segid " " and resid 93 and name HD% ) 4.000 2.000 2.000 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.49946E-03 ppm1 8.106 ppm2 7.144 CV 1
ASSI { 4326} (( segid " " and resid 90 and name HA )) (( segid " " and resid 90 and name HN )) 3.000 1.100 1.100 peak 4326 spectrum 1 weight 0.10000E+01 volume 0.18012E-02 ppm1 4.059 ppm2 8.168 CV 1
ASSI { 8180} (( segid " " and resid 90 and name HA )) (( segid " " and resid 92 and name HN )) 3.700 3.700 2.300 peak 8180 spectrum 1 weight 0.10000E+01 volume 0.15413E-02 ppm1 4.059 ppm2 8.437 CV 1
ASSI { 996} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG )) 2.900 1.100 1.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.24945E-02 ppm1 8.106 ppm2 6.024 CV 1
ASSI { 1406} (( segid " " and resid 91 and name HN )) (( segid " " and resid 83 and name HN )) 3.900 1.900 1.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.66199E-03 ppm1 8.268 ppm2 10.597 CV 1
ASSI { 1407} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HG2%) 4.600 2.700 1.400 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.42804E-03 ppm1 8.268 ppm2 0.255 CV 1
ASSI { 1635} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 3.000 1.100 1.100 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.18486E-02 ppm1 8.268 ppm2 8.486 CV 1
ASSI { 1636} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 3.400 1.500 1.500 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.68777E-03 ppm1 8.268 ppm2 8.089 CV 1
ASSI { 395} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HA )) 2.900 1.000 1.000 peak 395 spectrum 1 weight 0.10000E+01 volume 0.27139E-02 ppm1 8.268 ppm2 4.028 CV 1
ASSI { 397} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.100 1.200 1.200 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13425E-02 ppm1 8.268 ppm2 3.269 CV 1
ASSI { 4049} (( segid " " and resid 91 and name HB3 )) ( segid " " and resid 82 and name HG2%) 2.300 0.600 0.600 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.37589E-02 ppm1 2.785 ppm2 1.224 CV 1
ASSI { 4050} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 79 and name HG3 )) 4.100 2.100 1.900 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 2.785 ppm2 2.330 CV 1
ASSI { 4051} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 77 and name HA )) 4.500 2.500 1.500 peak 4051 spectrum 1 weight 0.10000E+01 volume 0.72571E-03 ppm1 2.785 ppm2 4.803 CV 1
ASSI { 4052} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 92 and name HN )) 3.600 1.600 1.600 peak 4052 spectrum 1 weight 0.10000E+01 volume 0.21028E-02 ppm1 2.785 ppm2 8.481 CV 1
ASSI { 4053} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 76 and name HN )) 3.300 1.400 1.400 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.95783E-03 ppm1 2.785 ppm2 8.580 CV 1
ASSI { 4053} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HN )) 3.400 1.500 1.500 peak 4053 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 2.785 ppm2 8.299 CV 1
ASSI { 562} (( segid " " and resid 91 and name HA )) (( segid " " and resid 91 and name HB2 )) 3.200 1.300 1.300 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13186E-02 ppm1 4.355 ppm2 3.242 CV 1
ASSI { 566} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HB3 )) 2.100 0.500 0.500 peak 566 spectrum 1 weight 0.10000E+01 volume 0.25475E-02 ppm1 3.260 ppm2 2.783 CV 1
ASSI { 7084} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 82 and name HA )) 3.900 1.900 1.900 peak 7084 spectrum 1 weight 0.10000E+01 volume 0.57214E-03 ppm1 3.260 ppm2 4.921 CV 1
ASSI { 1469} (( segid " " and resid 92 and name HN )) (( segid " " and resid 83 and name HN )) 4.200 2.200 1.800 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.32683E-03 ppm1 8.451 ppm2 10.580 CV 1
ASSI { 4087} (( segid " " and resid 92 and name HB )) (( segid " " and resid 84 and name HA )) 3.600 1.600 1.600 peak 4087 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 1.458 ppm2 5.678 CV 1
ASSI { 4262} (( segid " " and resid 92 and name HG13)) (( segid " " and resid 103 and name HD2 )) 3.900 1.900 1.900 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.18458E-02 ppm1 0.343 ppm2 6.788 CV 1
ASSI { 4263} (( segid " " and resid 92 and name HG13)) ( segid " " and resid 75 and name HD% ) 3.400 1.400 1.400 peak 4263 spectrum 1 weight 0.10000E+01 volume 0.28517E-02 ppm1 0.343 ppm2 6.931 CV 1
ASSI { 4264} (( segid " " and resid 92 and name HG13)) (( segid " " and resid 85 and name HN )) 2.800 0.900 0.900 peak 4264 spectrum 1 weight 0.10000E+01 volume 0.14938E-02 ppm1 0.343 ppm2 8.435 CV 1
ASSI { 4297} (( segid " " and resid 92 and name HA )) ( segid " " and resid 75 and name HE% ) 4.400 2.400 1.600 peak 4297 spectrum 1 weight 0.10000E+01 volume 0.77745E-03 ppm1 3.568 ppm2 6.991 CV 1
ASSI { 4701} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 94 and name HD2%) 4.200 2.200 1.800 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 0.266 ppm2 -0.418 CV 1
ASSI { 4704} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 87 and name HB2 )) 3.400 1.500 1.500 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.12493E-02 ppm1 0.266 ppm2 2.883 CV 1
ASSI { 4705} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 106 and name HB3 )) 3.500 1.500 1.500 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.19154E-02 ppm1 0.266 ppm2 2.532 CV 1
ASSI { 4707} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 103 and name HD2 )) 3.500 1.500 1.500 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.25001E-02 ppm1 0.266 ppm2 6.787 CV 1
ASSI { 4708} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 75 and name HD% ) 3.100 1.200 1.200 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 0.266 ppm2 6.945 CV 1
ASSI { 4734} ( segid " " and resid 92 and name HD1%) ( segid " " and resid 63 and name HD2%) 3.500 1.500 1.500 peak 4734 spectrum 1 weight 0.10000E+01 volume 0.20015E-02 ppm1 -0.550 ppm2 -0.082 CV 1
ASSI { 4739} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 84 and name HA )) 3.900 1.900 1.900 peak 4739 spectrum 1 weight 0.10000E+01 volume 0.17376E-02 ppm1 -0.550 ppm2 5.660 CV 1
ASSI { 4740} ( segid " " and resid 92 and name HD1%) ( segid " " and resid 75 and name HE% ) 2.600 0.800 0.800 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.49862E-02 ppm1 -0.550 ppm2 7.031 CV 1
ASSI { 571} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HB )) 2.800 1.000 1.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 3.568 ppm2 1.464 CV 1
ASSI { 572} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG12)) 3.300 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.19613E-02 ppm1 3.568 ppm2 1.099 CV 1
ASSI { 573} (( segid " " and resid 92 and name HA )) (( segid " " and resid 92 and name HG13)) 2.700 0.900 0.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.27412E-02 ppm1 3.568 ppm2 0.350 CV 1
ASSI { 574} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HG2%) 3.000 1.100 1.100 peak 574 spectrum 1 weight 0.10000E+01 volume 0.29130E-02 ppm1 3.568 ppm2 0.276 CV 1
ASSI { 575} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HD1%) 2.600 0.800 0.800 peak 575 spectrum 1 weight 0.10000E+01 volume 0.33339E-02 ppm1 3.568 ppm2 -0.532 CV 1
ASSI { 578} (( segid " " and resid 92 and name HB )) (( segid " " and resid 92 and name HG12)) 2.400 0.700 0.700 peak 578 spectrum 1 weight 0.10000E+01 volume 0.19434E-02 ppm1 1.452 ppm2 1.117 CV 1
ASSI { 581} (( segid " " and resid 92 and name HB )) ( segid " " and resid 92 and name HD1%) 2.400 0.700 0.700 peak 581 spectrum 1 weight 0.10000E+01 volume 0.25355E-02 ppm1 1.472 ppm2 -0.541 CV 1
ASSI { 591} (( segid " " and resid 92 and name HG12)) (( segid " " and resid 92 and name HG13)) 1.800 0.400 0.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.45336E-02 ppm1 1.093 ppm2 0.352 CV 1
ASSI { 595} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 92 and name HB )) 2.300 0.600 0.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.46917E-02 ppm1 0.266 ppm2 1.444 CV 1
ASSI { 597} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 92 and name HG13)) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.92430E-02 ppm1 0.266 ppm2 0.344 CV 1
ASSI { 599} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 92 and name HD1%) 2.800 1.000 1.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.97867E-02 ppm1 0.264 ppm2 -0.563 CV 1
ASSI { 602} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 92 and name HG12)) 2.000 0.500 0.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.73064E-02 ppm1 -0.550 ppm2 1.078 CV 1
ASSI { 603} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 92 and name HG13)) 1.900 0.400 0.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 -0.552 ppm2 0.352 CV 1
ASSI { 6088} ( segid " " and resid 92 and name HG2%) ( segid " " and resid 84 and name HB% ) 1.900 0.400 0.400 peak 6088 spectrum 1 weight 0.10000E+01 volume 0.13231E-01 ppm1 0.266 ppm2 1.186 CV 1
ASSI { 6173} ( segid " " and resid 92 and name HD1%) ( segid " " and resid 94 and name HD2%) 2.000 0.500 0.500 peak 6173 spectrum 1 weight 0.10000E+01 volume 0.89373E-02 ppm1 -0.550 ppm2 -0.388 CV 1
ASSI { 7640} (( segid " " and resid 92 and name HG13)) (( segid " " and resid 87 and name HD2 )) 3.700 1.700 1.700 peak 7640 spectrum 1 weight 0.10000E+01 volume 0.79902E-03 ppm1 0.343 ppm2 6.545 CV 1
ASSI { 7697} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HN )) 2.300 0.600 0.600 peak 7697 spectrum 1 weight 0.10000E+01 volume 0.47431E-02 ppm1 3.568 ppm2 7.987 CV 1
ASSI { 7703} (( segid " " and resid 92 and name HA )) (( segid " " and resid 93 and name HB3 )) 3.700 1.700 1.700 peak 7703 spectrum 1 weight 0.10000E+01 volume 0.16666E-02 ppm1 3.568 ppm2 2.952 CV 1
ASSI { 7982} ( segid " " and resid 92 and name HG2%) (( segid " " and resid 82 and name HB )) 2.800 1.000 1.000 peak 7982 spectrum 1 weight 0.10000E+01 volume 0.90574E-03 ppm1 0.266 ppm2 4.123 CV 1
ASSI { 7996} ( segid " " and resid 92 and name HD1%) ( segid " " and resid 93 and name HE% ) 3.800 1.800 1.800 peak 7996 spectrum 1 weight 0.10000E+01 volume 0.10225E-02 ppm1 -0.553 ppm2 6.837 CV 1
ASSI { 8000} ( segid " " and resid 92 and name HD1%) (( segid " " and resid 84 and name HN )) 4.900 3.000 1.100 peak 8000 spectrum 1 weight 0.10000E+01 volume 0.49151E-03 ppm1 -0.553 ppm2 8.834 CV 1
ASSI { 865} (( segid " " and resid 92 and name HN )) (( segid " " and resid 84 and name HA )) 3.500 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.10838E-02 ppm1 8.451 ppm2 5.657 CV 1
ASSI { 867} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 3.500 1.500 1.500 peak 867 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 8.451 ppm2 4.330 CV 1
ASSI { 868} (( segid " " and resid 92 and name HN )) (( segid " " and resid 83 and name HB3 )) 3.900 1.900 1.900 peak 868 spectrum 1 weight 0.10000E+01 volume 0.61926E-03 ppm1 8.451 ppm2 3.982 CV 1
ASSI { 869} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 8.451 ppm2 3.532 CV 1
ASSI { 870} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.600 0.900 0.900 peak 870 spectrum 1 weight 0.10000E+01 volume 0.99619E-03 ppm1 8.451 ppm2 3.222 CV 1
ASSI { 873} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HB )) 3.000 1.100 1.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.18872E-02 ppm1 8.451 ppm2 1.432 CV 1
ASSI { 874} (( segid " " and resid 92 and name HN )) ( segid " " and resid 84 and name HB% ) 3.900 1.900 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.28046E-02 ppm1 8.451 ppm2 1.162 CV 1
ASSI { 876} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HG2%) 2.600 0.800 0.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.18406E-02 ppm1 8.451 ppm2 0.286 CV 1
ASSI { 877} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HD1%) 3.700 1.700 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.12300E-02 ppm1 8.451 ppm2 -0.577 CV 1
ASSI { 1470} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HB )) 4.600 2.600 1.400 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.37695E-03 ppm1 7.971 ppm2 1.417 CV 1
ASSI { 304} (( segid " " and resid 93 and name HN )) ( segid " " and resid 93 and name HD% ) 2.800 1.000 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.12557E-02 ppm1 7.971 ppm2 7.088 CV 1
ASSI { 305} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.900 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.99862E-03 ppm1 7.971 ppm2 4.974 CV 1
ASSI { 307} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 2.600 0.800 0.800 peak 307 spectrum 1 weight 0.10000E+01 volume 0.41712E-02 ppm1 7.971 ppm2 2.950 CV 1
ASSI { 310} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HD1%) 2.800 1.000 1.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.15425E-02 ppm1 7.971 ppm2 -0.573 CV 1
ASSI { 4537} (( segid " " and resid 93 and name HA )) ( segid " " and resid 93 and name HD% ) 3.300 1.400 1.400 peak 4537 spectrum 1 weight 0.10000E+01 volume 0.23202E-02 ppm1 4.996 ppm2 7.167 CV 1
ASSI { 4538} (( segid " " and resid 93 and name HA )) (( segid " " and resid 94 and name HN )) 2.300 0.700 0.700 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.34862E-02 ppm1 4.996 ppm2 7.659 CV 1
ASSI { 607} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB2 )) 2.700 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.25434E-02 ppm1 4.991 ppm2 3.016 CV 1
ASSI { 608} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) 3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.96120E-03 ppm1 4.991 ppm2 2.936 CV 1
ASSI { 6381} ( segid " " and resid 93 and name HD% ) (( segid " " and resid 93 and name HB2 )) 2.900 1.000 1.000 peak 6381 spectrum 1 weight 0.10000E+01 volume 0.19130E-02 ppm1 7.165 ppm2 3.021 CV 1
ASSI { 7168} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 87 and name HA )) 4.000 2.000 2.000 peak 7168 spectrum 1 weight 0.10000E+01 volume 0.57924E-03 ppm1 2.912 ppm2 4.403 CV 1
ASSI { 7170} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 93 and name HD% ) 3.500 1.500 1.500 peak 7170 spectrum 1 weight 0.10000E+01 volume 0.45910E-03 ppm1 2.912 ppm2 7.147 CV 1
ASSI { 7725} ( segid " " and resid 93 and name HD% ) ( segid " " and resid 94 and name HD2%) 3.900 1.900 1.900 peak 7725 spectrum 1 weight 0.10000E+01 volume 0.47252E-03 ppm1 7.165 ppm2 -0.386 CV 1
ASSI { 179} (( segid " " and resid 94 and name HN )) (( segid " " and resid 85 and name HN )) 3.200 1.300 1.300 peak 179 spectrum 1 weight 0.10000E+01 volume 0.90220E-03 ppm1 7.644 ppm2 8.417 CV 1
ASSI { 180} (( segid " " and resid 94 and name HN )) ( segid " " and resid 93 and name HD% ) 3.600 1.600 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.15200E-02 ppm1 7.644 ppm2 7.165 CV 1
ASSI { 182} (( segid " " and resid 94 and name HN )) (( segid " " and resid 85 and name HA1 )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.95202E-03 ppm1 7.644 ppm2 4.452 CV 1
ASSI { 183} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.15529E-02 ppm1 7.644 ppm2 3.583 CV 1
ASSI { 184} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB3 )) 4.100 2.100 1.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11432E-02 ppm1 7.644 ppm2 2.969 CV 1
ASSI { 185} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.700 0.900 0.900 peak 185 spectrum 1 weight 0.10000E+01 volume 0.15987E-02 ppm1 7.644 ppm2 1.161 CV 1
ASSI { 187} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.500 1.500 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.17249E-02 ppm1 7.644 ppm2 0.187 CV 1
ASSI { 188} (( segid " " and resid 94 and name HN )) ( segid " " and resid 94 and name HD2%) 3.300 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 7.644 ppm2 -0.416 CV 1
ASSI { 189} (( segid " " and resid 94 and name HN )) ( segid " " and resid 92 and name HD1%) 3.700 1.700 1.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.70634E-03 ppm1 7.644 ppm2 -0.543 CV 1
ASSI { 4299} ( segid " " and resid 94 and name HD1%) ( segid " " and resid 92 and name HD1%) 2.900 1.100 1.100 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.21284E-02 ppm1 0.994 ppm2 -0.510 CV 1
ASSI { 4512} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 74 and name HE )) 1.900 1.900 4.100 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.36384E-02 ppm1 -0.396 ppm2 7.077 CV 1
ASSI { 6081} (( segid " " and resid 94 and name HG )) ( segid " " and resid 92 and name HD1%) 2.500 0.800 0.800 peak 6081 spectrum 1 weight 0.10000E+01 volume 0.17799E-02 ppm1 0.238 ppm2 -0.548 CV 1
ASSI { 616} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HB2 )) 3.200 1.300 1.300 peak 616 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 3.623 ppm2 1.168 CV 1
ASSI { 6172} (( segid " " and resid 94 and name HG )) ( segid " " and resid 144 and name HG2%) 3.500 1.500 1.500 peak 6172 spectrum 1 weight 0.10000E+01 volume 0.27529E-02 ppm1 0.240 ppm2 0.503 CV 1
ASSI { 618} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG )) 3.100 1.200 1.200 peak 618 spectrum 1 weight 0.10000E+01 volume 0.12862E-02 ppm1 3.615 ppm2 0.257 CV 1
ASSI { 620} (( segid " " and resid 94 and name HA )) ( segid " " and resid 94 and name HD2%) 2.200 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.43087E-02 ppm1 3.618 ppm2 -0.402 CV 1
ASSI { 6299} ( segid " " and resid 94 and name HD2%) ( segid " " and resid 94 and name HD1%) 2.100 0.600 0.600 peak 6299 spectrum 1 weight 0.10000E+01 volume 0.74784E-02 ppm1 -0.397 ppm2 1.049 CV 1
ASSI { 630} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HB3 )) 2.200 0.600 0.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.27549E-02 ppm1 1.191 ppm2 0.246 CV 1
ASSI { 632} (( segid " " and resid 94 and name HB2 )) ( segid " " and resid 94 and name HD2%) 3.600 1.600 1.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.12395E-02 ppm1 1.191 ppm2 -0.385 CV 1
ASSI { 637} (( segid " " and resid 94 and name HG )) (( segid " " and resid 94 and name HB3 )) 1.900 0.400 0.400 peak 637 spectrum 1 weight 0.10000E+01 volume 0.32471E-01 ppm1 0.243 ppm2 0.201 CV 1
ASSI { 638} (( segid " " and resid 94 and name HG )) ( segid " " and resid 94 and name HD2%) 2.300 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.37352E-02 ppm1 0.238 ppm2 -0.381 CV 1
ASSI { 642} ( segid " " and resid 94 and name HD1%) (( segid " " and resid 94 and name HG )) 2.300 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.28854E-02 ppm1 0.989 ppm2 0.282 CV 1
ASSI { 7106} (( segid " " and resid 94 and name HB3 )) ( segid " " and resid 94 and name HD2%) 3.100 1.200 1.200 peak 7106 spectrum 1 weight 0.10000E+01 volume 0.97688E-03 ppm1 0.189 ppm2 -0.402 CV 1
ASSI { 7625} (( segid " " and resid 94 and name HG )) (( segid " " and resid 85 and name HN )) 3.500 1.500 1.500 peak 7625 spectrum 1 weight 0.10000E+01 volume 0.85614E-03 ppm1 0.244 ppm2 8.457 CV 1
ASSI { 7896} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 70 and name HD22)) 4.300 2.300 1.700 peak 7896 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 -0.397 ppm2 6.108 CV 1
ASSI { 7897} ( segid " " and resid 94 and name HD2%) (( segid " " and resid 147 and name HB3 )) 3.600 1.600 1.600 peak 7897 spectrum 1 weight 0.10000E+01 volume 0.13293E-02 ppm1 -0.397 ppm2 2.547 CV 1
ASSI { 7979} (( segid " " and resid 94 and name HA )) ( segid " " and resid 147 and name HE% ) 3.700 1.700 1.700 peak 7979 spectrum 1 weight 0.10000E+01 volume 0.91067E-03 ppm1 3.620 ppm2 7.228 CV 1
ASSI { 1663} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.700 0.900 0.900 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.18663E-02 ppm1 7.957 ppm2 4.146 CV 1
ASSI { 652} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB2 )) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.26364E-02 ppm1 4.115 ppm2 2.608 CV 1
ASSI { 653} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB3 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.36522E-02 ppm1 4.118 ppm2 1.592 CV 1
ASSI { 655} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HB2 )) 2.000 0.500 0.500 peak 655 spectrum 1 weight 0.10000E+01 volume 0.28993E-02 ppm1 1.634 ppm2 2.626 CV 1
ASSI { 7139} (( segid " " and resid 95 and name HB2 )) (( segid " " and resid 95 and name HN )) 2.900 1.100 1.100 peak 7139 spectrum 1 weight 0.10000E+01 volume 0.19257E-02 ppm1 2.618 ppm2 7.946 CV 1
ASSI { 7150} (( segid " " and resid 95 and name HB3 )) (( segid " " and resid 95 and name HN )) 3.500 1.500 1.500 peak 7150 spectrum 1 weight 0.10000E+01 volume 0.11909E-02 ppm1 1.634 ppm2 7.946 CV 1
ASSI { 786} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HA )) 2.200 0.600 0.600 peak 786 spectrum 1 weight 0.10000E+01 volume 0.39551E-02 ppm1 7.927 ppm2 3.584 CV 1
ASSI { 791} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 3.600 1.600 1.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10211E-02 ppm1 7.927 ppm2 0.196 CV 1
ASSI { 792} (( segid " " and resid 95 and name HN )) ( segid " " and resid 94 and name HD2%) 3.700 1.700 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.20503E-02 ppm1 7.927 ppm2 -0.425 CV 1
ASSI { 1473} (( segid " " and resid 96 and name HN )) (( segid " " and resid 99 and name HN )) 4.500 2.500 1.500 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.55354E-03 ppm1 7.542 ppm2 8.515 CV 1
ASSI { 4573} (( segid " " and resid 96 and name HA )) (( segid " " and resid 86 and name HN )) 4.300 2.300 1.700 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.84281E-03 ppm1 4.815 ppm2 8.242 CV 1
ASSI { 4574} (( segid " " and resid 96 and name HA )) (( segid " " and resid 85 and name HN )) 4.100 2.100 1.900 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.76062E-03 ppm1 4.815 ppm2 8.445 CV 1
ASSI { 6141} (( segid " " and resid 96 and name HB2 )) ( segid " " and resid 99 and name HG2%) 4.100 2.100 1.900 peak 6141 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 2.566 ppm2 1.062 CV 1
ASSI { 661} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB2 )) 2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.20085E-02 ppm1 4.815 ppm2 2.569 CV 1
ASSI { 662} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB3 )) 2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.22272E-02 ppm1 4.815 ppm2 2.372 CV 1
ASSI { 664} (( segid " " and resid 96 and name HB3 )) (( segid " " and resid 96 and name HB2 )) 2.300 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.29960E-02 ppm1 2.381 ppm2 2.576 CV 1
ASSI { 742} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 2.800 1.000 1.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.16108E-02 ppm1 7.542 ppm2 7.935 CV 1
ASSI { 743} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HN )) 3.000 1.100 1.100 peak 743 spectrum 1 weight 0.10000E+01 volume 0.14107E-02 ppm1 7.542 ppm2 8.276 CV 1
ASSI { 744} (( segid " " and resid 96 and name HN )) ( segid " " and resid 93 and name HD% ) 3.200 3.200 2.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.16486E-02 ppm1 7.542 ppm2 7.185 CV 1
ASSI { 748} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 2.500 0.800 0.800 peak 748 spectrum 1 weight 0.10000E+01 volume 0.53208E-02 ppm1 7.542 ppm2 4.101 CV 1
ASSI { 749} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HA )) 3.400 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.74666E-03 ppm1 7.542 ppm2 3.608 CV 1
ASSI { 751} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB2 )) 3.400 1.400 1.400 peak 751 spectrum 1 weight 0.10000E+01 volume 0.30031E-02 ppm1 7.542 ppm2 2.565 CV 1
ASSI { 752} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB3 )) 2.900 1.100 1.100 peak 752 spectrum 1 weight 0.10000E+01 volume 0.17305E-02 ppm1 7.542 ppm2 2.377 CV 1
ASSI { 754} (( segid " " and resid 96 and name HN )) (( segid " " and resid 86 and name HG3 )) 4.100 2.100 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.12035E-02 ppm1 7.542 ppm2 1.474 CV 1
ASSI { 8015} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 94 and name HN )) 4.700 2.700 1.300 peak 8015 spectrum 1 weight 0.10000E+01 volume 0.62155E-03 ppm1 2.565 ppm2 7.614 CV 1
ASSI { 8016} (( segid " " and resid 96 and name HB2 )) (( segid " " and resid 97 and name HN )) 3.600 1.700 1.700 peak 8016 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 2.565 ppm2 8.323 CV 1
ASSI { 1970} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.15714E-02 ppm1 8.307 ppm2 4.824 CV 1
ASSI { 4179} (( segid " " and resid 97 and name HA )) (( segid " " and resid 99 and name HN )) 4.000 2.000 2.000 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 3.973 ppm2 8.543 CV 1
ASSI { 4562} ( segid " " and resid 97 and name HG2%) ( segid " " and resid 27 and name HG2%) 2.900 1.100 1.100 peak 4562 spectrum 1 weight 0.10000E+01 volume 0.35107E-02 ppm1 0.945 ppm2 1.369 CV 1
ASSI { 4563} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 28 and name HB3 )) 2.700 0.900 0.900 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.66259E-02 ppm1 0.950 ppm2 3.449 CV 1
ASSI { 4564} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 28 and name HB2 )) 2.500 0.800 0.800 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.47788E-02 ppm1 0.963 ppm2 3.582 CV 1
ASSI { 4566} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 4566 spectrum 1 weight 0.10000E+01 volume 0.22118E-02 ppm1 0.950 ppm2 4.475 CV 1
ASSI { 4567} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 98 and name HN )) 3.000 1.200 1.200 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.26542E-02 ppm1 0.963 ppm2 8.195 CV 1
ASSI { 4568} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 99 and name HN )) 4.100 2.100 1.900 peak 4568 spectrum 1 weight 0.10000E+01 volume 0.17022E-02 ppm1 0.964 ppm2 8.536 CV 1
ASSI { 6144} (( segid " " and resid 97 and name HB )) (( segid " " and resid 28 and name HB2 )) 4.300 2.300 1.700 peak 6144 spectrum 1 weight 0.10000E+01 volume 0.92846E-03 ppm1 2.367 ppm2 3.582 CV 1
ASSI { 6145} (( segid " " and resid 97 and name HB )) (( segid " " and resid 28 and name HB3 )) 4.100 2.100 1.900 peak 6145 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 2.367 ppm2 3.485 CV 1
ASSI { 644} (( segid " " and resid 97 and name HN )) (( segid " " and resid 86 and name HB2 )) 3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.78283E-03 ppm1 8.279 ppm2 1.837 CV 1
ASSI { 670} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB )) 2.400 0.700 0.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.54687E-02 ppm1 3.963 ppm2 2.365 CV 1
ASSI { 676} ( segid " " and resid 97 and name HG1%) (( segid " " and resid 97 and name HA )) 2.700 0.900 0.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.64011E-02 ppm1 0.974 ppm2 3.944 CV 1
ASSI { 678} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 97 and name HA )) 2.300 0.700 0.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.67570E-02 ppm1 0.963 ppm2 3.982 CV 1
ASSI { 679} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 97 and name HB )) 2.000 0.500 0.500 peak 679 spectrum 1 weight 0.10000E+01 volume 0.15791E-01 ppm1 0.954 ppm2 2.366 CV 1
ASSI { 7412} (( segid " " and resid 97 and name HB )) (( segid " " and resid 96 and name HA )) 3.400 1.500 1.500 peak 7412 spectrum 1 weight 0.10000E+01 volume 0.82945E-03 ppm1 2.367 ppm2 4.823 CV 1
ASSI { 7413} (( segid " " and resid 97 and name HB )) (( segid " " and resid 97 and name HN )) 2.600 0.800 0.800 peak 7413 spectrum 1 weight 0.10000E+01 volume 0.45633E-02 ppm1 2.367 ppm2 8.299 CV 1
ASSI { 7414} (( segid " " and resid 97 and name HB )) (( segid " " and resid 99 and name HN )) 5.000 3.100 1.000 peak 7414 spectrum 1 weight 0.10000E+01 volume 0.60534E-03 ppm1 2.367 ppm2 8.503 CV 1
ASSI { 7499} (( segid " " and resid 97 and name HA )) (( segid " " and resid 86 and name HB3 )) 3.900 1.900 1.900 peak 7499 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 3.963 ppm2 1.707 CV 1
ASSI { 7911} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 96 and name HA )) 3.400 3.400 2.600 peak 7911 spectrum 1 weight 0.10000E+01 volume 0.19154E-02 ppm1 0.961 ppm2 4.813 CV 1
ASSI { 7913} ( segid " " and resid 97 and name HG2%) (( segid " " and resid 28 and name HN )) 2.100 0.500 0.500 peak 7913 spectrum 1 weight 0.10000E+01 volume 0.12986E-01 ppm1 0.963 ppm2 8.336 CV 1
ASSI { 1475} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HN )) 4.000 2.000 2.000 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.51408E-03 ppm1 8.171 ppm2 7.525 CV 1
ASSI { 4128} (( segid " " and resid 98 and name HB )) (( segid " " and resid 30 and name HB3 )) 4.300 2.400 1.700 peak 4128 spectrum 1 weight 0.10000E+01 volume 0.10566E-02 ppm1 3.990 ppm2 2.741 CV 1
ASSI { 4129} (( segid " " and resid 98 and name HB )) ( segid " " and resid 147 and name HD% ) 4.700 2.800 1.300 peak 4129 spectrum 1 weight 0.10000E+01 volume 0.61672E-03 ppm1 3.999 ppm2 7.015 CV 1
ASSI { 4130} (( segid " " and resid 98 and name HB )) (( segid " " and resid 99 and name HN )) 3.300 1.400 1.400 peak 4130 spectrum 1 weight 0.10000E+01 volume 0.16158E-02 ppm1 4.004 ppm2 8.573 CV 1
ASSI { 4396} ( segid " " and resid 98 and name HG2%) ( segid " " and resid 147 and name HD% ) 3.300 1.400 1.400 peak 4396 spectrum 1 weight 0.10000E+01 volume 0.39072E-02 ppm1 0.949 ppm2 7.033 CV 1
ASSI { 6232} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 70 and name HN )) 3.500 1.500 1.500 peak 6232 spectrum 1 weight 0.10000E+01 volume 0.27924E-02 ppm1 0.942 ppm2 8.219 CV 1
ASSI { 6268} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 30 and name HB3 )) 4.100 2.100 1.900 peak 6268 spectrum 1 weight 0.10000E+01 volume 0.11263E-02 ppm1 0.937 ppm2 2.715 CV 1
ASSI { 6269} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 146 and name HE2 )) 2.800 1.000 1.000 peak 6269 spectrum 1 weight 0.10000E+01 volume 0.37323E-02 ppm1 0.937 ppm2 2.531 CV 1
ASSI { 6272} (( segid " " and resid 98 and name HB )) ( segid " " and resid 27 and name HG2%) 4.100 2.100 1.900 peak 6272 spectrum 1 weight 0.10000E+01 volume 0.80227E-03 ppm1 3.988 ppm2 1.419 CV 1
ASSI { 6293} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 95 and name HB3 )) 2.000 0.500 0.500 peak 6293 spectrum 1 weight 0.10000E+01 volume 0.11449E-01 ppm1 0.938 ppm2 1.641 CV 1
ASSI { 6344} (( segid " " and resid 98 and name HB )) (( segid " " and resid 145 and name HA1 )) 3.400 1.400 1.400 peak 6344 spectrum 1 weight 0.10000E+01 volume 0.11316E-02 ppm1 4.006 ppm2 3.755 CV 1
ASSI { 681} (( segid " " and resid 98 and name HA )) (( segid " " and resid 98 and name HB )) 2.400 0.700 0.700 peak 681 spectrum 1 weight 0.10000E+01 volume 0.31660E-02 ppm1 4.473 ppm2 3.999 CV 1
ASSI { 688} ( segid " " and resid 98 and name HG2%) (( segid " " and resid 98 and name HB )) 2.200 0.600 0.600 peak 688 spectrum 1 weight 0.10000E+01 volume 0.58866E-02 ppm1 0.942 ppm2 3.996 CV 1
ASSI { 351} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HN )) 2.200 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 8.520 ppm2 8.174 CV 1
ASSI { 352} (( segid " " and resid 99 and name HN )) (( segid " " and resid 86 and name HE )) 3.800 1.800 1.800 peak 352 spectrum 1 weight 0.10000E+01 volume 0.78797E-03 ppm1 8.520 ppm2 7.942 CV 1
ASSI { 4146} (( segid " " and resid 99 and name HB )) (( segid " " and resid 99 and name HN )) 2.700 0.900 0.900 peak 4146 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 2.562 ppm2 8.540 CV 1
ASSI { 4327} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HN )) 2.300 0.600 0.600 peak 4327 spectrum 1 weight 0.10000E+01 volume 0.57628E-02 ppm1 1.049 ppm2 8.545 CV 1
ASSI { 4330} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 144 and name HD1%) 2.900 1.100 1.100 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.62509E-02 ppm1 1.050 ppm2 -0.174 CV 1
ASSI { 4331} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 94 and name HD2%) 3.900 1.900 1.900 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.14671E-02 ppm1 1.050 ppm2 -0.386 CV 1
ASSI { 4332} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 145 and name HA2 )) 2.600 0.800 0.800 peak 4332 spectrum 1 weight 0.10000E+01 volume 0.23774E-02 ppm1 1.050 ppm2 3.361 CV 1
ASSI { 4333} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 145 and name HA1 )) 3.000 1.100 1.100 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.24210E-02 ppm1 1.049 ppm2 3.726 CV 1
ASSI { 4335} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 147 and name HE% ) 2.500 0.800 0.800 peak 4335 spectrum 1 weight 0.10000E+01 volume 0.79565E-02 ppm1 1.048 ppm2 7.225 CV 1
ASSI { 4336} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 86 and name HN )) 2.700 0.900 0.900 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.26403E-02 ppm1 1.049 ppm2 8.321 CV 1
ASSI { 4480} ( segid " " and resid 99 and name HG1%) ( segid " " and resid 144 and name HD1%) 3.000 1.100 1.100 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.66858E-02 ppm1 1.136 ppm2 -0.175 CV 1
ASSI { 4482} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 103 and name HB3 )) 2.800 1.000 1.000 peak 4482 spectrum 1 weight 0.10000E+01 volume 0.26798E-02 ppm1 1.137 ppm2 3.198 CV 1
ASSI { 4484} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 145 and name HA1 )) 3.000 1.100 1.100 peak 4484 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 1.137 ppm2 3.720 CV 1
ASSI { 4485} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 85 and name HA2 )) 2.600 0.800 0.800 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.32213E-02 ppm1 1.138 ppm2 3.895 CV 1
ASSI { 4486} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 85 and name HA1 )) 2.200 0.600 0.600 peak 4486 spectrum 1 weight 0.10000E+01 volume 0.35415E-02 ppm1 1.137 ppm2 4.423 CV 1
ASSI { 4488} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 103 and name HN )) 3.000 1.100 1.100 peak 4488 spectrum 1 weight 0.10000E+01 volume 0.19231E-02 ppm1 1.143 ppm2 7.613 CV 1
ASSI { 4491} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 100 and name HN )) 3.000 1.100 1.100 peak 4491 spectrum 1 weight 0.10000E+01 volume 0.21442E-02 ppm1 1.136 ppm2 11.646 CV 1
ASSI { 6038} (( segid " " and resid 99 and name HA )) (( segid " " and resid 100 and name HN )) 2.500 0.800 0.800 peak 6038 spectrum 1 weight 0.10000E+01 volume 0.26582E-02 ppm1 4.248 ppm2 11.661 CV 1
ASSI { 6039} (( segid " " and resid 99 and name HA )) (( segid " " and resid 121 and name HN )) 2.600 0.900 0.900 peak 6039 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 4.258 ppm2 8.023 CV 1
ASSI { 6231} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 103 and name HN )) 3.300 1.300 1.300 peak 6231 spectrum 1 weight 0.10000E+01 volume 0.20198E-02 ppm1 1.048 ppm2 7.571 CV 1
ASSI { 6233} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 100 and name HN )) 3.600 1.600 1.600 peak 6233 spectrum 1 weight 0.10000E+01 volume 0.11283E-02 ppm1 1.049 ppm2 11.646 CV 1
ASSI { 6297} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 98 and name HB )) 3.400 1.400 1.400 peak 6297 spectrum 1 weight 0.10000E+01 volume 0.14425E-02 ppm1 1.049 ppm2 3.977 CV 1
ASSI { 6298} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 144 and name HA )) 3.600 1.600 1.600 peak 6298 spectrum 1 weight 0.10000E+01 volume 0.15674E-02 ppm1 1.049 ppm2 4.131 CV 1
ASSI { 690} (( segid " " and resid 99 and name HA )) (( segid " " and resid 99 and name HB )) 3.100 1.200 1.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.73805E-03 ppm1 4.248 ppm2 2.550 CV 1
ASSI { 691} (( segid " " and resid 99 and name HA )) ( segid " " and resid 99 and name HG2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.37037E-02 ppm1 4.245 ppm2 1.104 CV 1
ASSI { 699} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 99 and name HB )) 2.300 0.600 0.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.67570E-02 ppm1 1.050 ppm2 2.548 CV 1
ASSI { 700} ( segid " " and resid 99 and name HG2%) ( segid " " and resid 99 and name HG1%) 1.900 0.400 0.400 peak 700 spectrum 1 weight 0.10000E+01 volume 0.26501E-01 ppm1 1.050 ppm2 1.157 CV 1
ASSI { 702} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HB )) 2.400 0.700 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.42925E-02 ppm1 1.137 ppm2 2.585 CV 1
ASSI { 703} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 99 and name HA )) 2.500 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.29881E-02 ppm1 1.137 ppm2 4.249 CV 1
ASSI { 7770} ( segid " " and resid 99 and name HG2%) (( segid " " and resid 145 and name HN )) 3.700 1.700 1.700 peak 7770 spectrum 1 weight 0.10000E+01 volume 0.84090E-03 ppm1 1.049 ppm2 9.980 CV 1
ASSI { 8197} ( segid " " and resid 99 and name HG1%) (( segid " " and resid 103 and name HB2 )) 3.200 1.300 1.300 peak 8197 spectrum 1 weight 0.10000E+01 volume 0.26798E-02 ppm1 1.137 ppm2 3.234 CV 1
ASSI { 1478} (( segid " " and resid 100 and name HN )) (( segid " " and resid 121 and name HN )) 3.400 1.500 1.500 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.35935E-03 ppm1 11.637 ppm2 7.977 CV 1
ASSI { 1479} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 3.900 2.000 2.000 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.30087E-03 ppm1 11.637 ppm2 10.857 CV 1
ASSI { 707} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 3.500 1.600 1.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.10390E-02 ppm1 5.164 ppm2 4.076 CV 1
ASSI { 714} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HB3 )) 2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.13743E-02 ppm1 4.057 ppm2 3.481 CV 1
ASSI { 8182} (( segid " " and resid 100 and name HA )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 8182 spectrum 1 weight 0.10000E+01 volume 0.20019E-02 ppm1 5.166 ppm2 10.901 CV 1
ASSI { 1482} (( segid " " and resid 101 and name HN )) (( segid " " and resid 87 and name HA )) 4.400 2.500 1.600 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.39245E-03 ppm1 10.853 ppm2 4.367 CV 1
ASSI { 1483} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 3.200 1.300 1.300 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.45198E-03 ppm1 10.853 ppm2 3.708 CV 1
ASSI { 1484} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB3 )) 4.400 2.500 1.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.34907E-03 ppm1 10.853 ppm2 3.448 CV 1
ASSI { 1485} (( segid " " and resid 101 and name HN )) ( segid " " and resid 27 and name HG2%) 4.200 2.200 1.800 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.39446E-03 ppm1 10.853 ppm2 1.435 CV 1
ASSI { 1684} (( segid " " and resid 101 and name HN )) (( segid " " and resid 86 and name HG2 )) 4.200 2.200 1.800 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.87168E-03 ppm1 10.853 ppm2 1.626 CV 1
ASSI { 1883} (( segid " " and resid 101 and name HE )) (( segid " " and resid 83 and name HA )) 4.100 2.100 1.900 peak 1883 spectrum 1 weight 0.10000E+01 volume 0.70537E-03 ppm1 6.778 ppm2 4.705 CV 1
ASSI { 1884} (( segid " " and resid 101 and name HE )) (( segid " " and resid 87 and name HA )) 4.400 2.400 1.600 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.73734E-03 ppm1 6.778 ppm2 4.362 CV 1
ASSI { 1885} (( segid " " and resid 101 and name HE )) (( segid " " and resid 101 and name HD2 )) 2.800 0.900 0.900 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.21587E-02 ppm1 6.778 ppm2 3.163 CV 1
ASSI { 1888} (( segid " " and resid 101 and name HE )) (( segid " " and resid 102 and name HB2 )) 2.800 2.800 3.200 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.42877E-02 ppm1 6.778 ppm2 1.490 CV 1
ASSI { 1895} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HA )) 4.400 2.400 1.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.45065E-03 ppm1 1.751 ppm2 3.748 CV 1
ASSI { 1897} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 86 and name HD3 )) 4.400 2.500 1.600 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.73834E-03 ppm1 1.751 ppm2 3.141 CV 1
ASSI { 1900} (( segid " " and resid 101 and name HG3 )) (( segid " " and resid 101 and name HG2 )) 2.400 0.700 0.700 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.21739E-02 ppm1 1.751 ppm2 1.828 CV 1
ASSI { 1907} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 101 and name HG2 )) 3.000 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.11891E-02 ppm1 2.884 ppm2 1.836 CV 1
ASSI { 1907} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 101 and name HG3 )) 3.100 1.200 1.200 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.16382E-02 ppm1 2.874 ppm2 1.774 CV 1
ASSI { 1911} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HD3 )) 1.700 0.300 0.500 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.14593E-01 ppm1 3.199 ppm2 2.862 CV 1
ASSI { 1913} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HB3 )) 3.000 1.100 1.100 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.13036E-02 ppm1 3.177 ppm2 1.972 CV 1
ASSI { 1914} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HG2 )) 2.600 0.800 0.800 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.47056E-02 ppm1 3.199 ppm2 1.829 CV 1
ASSI { 1915} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 101 and name HG3 )) 2.200 0.600 0.600 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.74683E-02 ppm1 3.199 ppm2 1.759 CV 1
ASSI { 1932} (( segid " " and resid 101 and name HE )) (( segid " " and resid 87 and name HE1 )) 2.500 0.800 0.800 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.26070E-02 ppm1 6.778 ppm2 6.946 CV 1
ASSI { 327} (( segid " " and resid 101 and name HN )) (( segid " " and resid 87 and name HD1 )) 4.100 2.100 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.72394E-03 ppm1 10.853 ppm2 9.227 CV 1
ASSI { 328} (( segid " " and resid 101 and name HN )) (( segid " " and resid 86 and name HE )) 2.900 1.100 1.100 peak 328 spectrum 1 weight 0.10000E+01 volume 0.76008E-03 ppm1 10.853 ppm2 7.892 CV 1
ASSI { 332} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HB3 )) 3.500 1.600 1.600 peak 332 spectrum 1 weight 0.10000E+01 volume 0.84757E-03 ppm1 10.853 ppm2 1.977 CV 1
ASSI { 333} (( segid " " and resid 101 and name HN )) (( segid " " and resid 86 and name HB3 )) 2.600 0.800 0.800 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15304E-02 ppm1 10.853 ppm2 1.736 CV 1
ASSI { 6935} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 87 and name HA )) 3.600 1.700 1.700 peak 6935 spectrum 1 weight 0.10000E+01 volume 0.36777E-02 ppm1 3.178 ppm2 4.390 CV 1
ASSI { 7013} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 90 and name HG )) 3.500 3.500 2.500 peak 7013 spectrum 1 weight 0.10000E+01 volume 0.16844E-02 ppm1 3.199 ppm2 6.016 CV 1
ASSI { 7016} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 102 and name HN )) 3.400 1.500 1.500 peak 7016 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 3.199 ppm2 7.909 CV 1
ASSI { 7017} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 86 and name HN )) 3.600 3.600 2.400 peak 7017 spectrum 1 weight 0.10000E+01 volume 0.10632E-02 ppm1 3.199 ppm2 8.314 CV 1
ASSI { 7018} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 87 and name HD1 )) 3.600 1.600 1.600 peak 7018 spectrum 1 weight 0.10000E+01 volume 0.10644E-02 ppm1 3.199 ppm2 9.238 CV 1
ASSI { 7020} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 105 and name HB3 )) 2.500 2.500 3.500 peak 7020 spectrum 1 weight 0.10000E+01 volume 0.11856E-01 ppm1 3.199 ppm2 1.555 CV 1
ASSI { 8186} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 90 and name HG )) 3.600 3.600 2.400 peak 8186 spectrum 1 weight 0.10000E+01 volume 0.12107E-02 ppm1 2.885 ppm2 6.016 CV 1
ASSI { 8188} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 101 and name HE )) 2.300 0.600 0.600 peak 8188 spectrum 1 weight 0.10000E+01 volume 0.44210E-02 ppm1 2.886 ppm2 6.794 CV 1
ASSI { 8189} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 87 and name HE1 )) 2.700 0.900 0.900 peak 8189 spectrum 1 weight 0.10000E+01 volume 0.30871E-02 ppm1 2.886 ppm2 6.999 CV 1
ASSI { 8190} (( segid " " and resid 101 and name HD2 )) (( segid " " and resid 87 and name HE1 )) 2.700 0.900 0.900 peak 8190 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 3.199 ppm2 6.999 CV 1
ASSI { 8191} (( segid " " and resid 101 and name HD3 )) (( segid " " and resid 87 and name HD1 )) 3.400 1.400 1.400 peak 8191 spectrum 1 weight 0.10000E+01 volume 0.66384E-03 ppm1 2.886 ppm2 9.238 CV 1
ASSI { 8194} (( segid " " and resid 101 and name HD2 )) ( segid " " and resid 118 and name HG2%) 4.300 2.300 1.700 peak 8194 spectrum 1 weight 0.10000E+01 volume 0.61878E-03 ppm1 3.199 ppm2 0.362 CV 1
ASSI { 1139} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 3.200 1.200 1.200 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.10749E-02 ppm1 7.888 ppm2 10.855 CV 1
ASSI { 1140} (( segid " " and resid 102 and name HN )) (( segid " " and resid 87 and name HD1 )) 4.300 2.300 1.700 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.44354E-03 ppm1 7.888 ppm2 9.233 CV 1
ASSI { 1144} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) 3.700 1.700 1.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.55642E-03 ppm1 7.888 ppm2 3.694 CV 1
ASSI { 1145} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HB3 )) 3.800 1.800 1.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.48781E-03 ppm1 7.888 ppm2 3.453 CV 1
ASSI { 1147} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HD3 )) 3.700 1.700 1.700 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.58783E-03 ppm1 7.888 ppm2 2.870 CV 1
ASSI { 1148} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HB3 )) 2.800 1.000 1.000 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.14043E-02 ppm1 7.888 ppm2 1.982 CV 1
ASSI { 1149} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HG3 )) 3.300 1.300 1.300 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.27797E-02 ppm1 7.888 ppm2 1.729 CV 1
ASSI { 1151} (( segid " " and resid 102 and name HN )) ( segid " " and resid 99 and name HG1%) 4.400 2.400 1.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.28038E-03 ppm1 7.888 ppm2 1.121 CV 1
ASSI { 1152} (( segid " " and resid 102 and name HN )) ( segid " " and resid 118 and name HG2%) 3.900 1.900 1.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.43480E-03 ppm1 7.888 ppm2 0.360 CV 1
ASSI { 1915} (( segid " " and resid 102 and name HE )) (( segid " " and resid 87 and name HE1 )) 4.100 2.100 1.900 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.72394E-03 ppm1 7.465 ppm2 6.972 CV 1
ASSI { 1918} (( segid " " and resid 102 and name HE )) (( segid " " and resid 83 and name HA )) 3.600 1.600 1.600 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.48710E-03 ppm1 7.465 ppm2 4.702 CV 1
ASSI { 1919} (( segid " " and resid 102 and name HE )) (( segid " " and resid 101 and name HD2 )) 2.900 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.16815E-02 ppm1 7.465 ppm2 3.212 CV 1
ASSI { 1920} (( segid " " and resid 102 and name HE )) (( segid " " and resid 101 and name HD3 )) 3.200 1.300 1.300 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 7.465 ppm2 2.892 CV 1
ASSI { 1921} (( segid " " and resid 102 and name HE )) (( segid " " and resid 105 and name HB2 )) 3.300 1.400 1.400 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.26769E-02 ppm1 7.465 ppm2 1.698 CV 1
ASSI { 1922} (( segid " " and resid 102 and name HE )) (( segid " " and resid 102 and name HB2 )) 3.200 1.300 1.300 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.21731E-02 ppm1 7.465 ppm2 1.509 CV 1
ASSI { 4258} (( segid " " and resid 102 and name HG3 )) (( segid " " and resid 104 and name HN )) 3.500 1.500 1.500 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 1.338 ppm2 8.422 CV 1
ASSI { 4628} (( segid " " and resid 102 and name HA )) (( segid " " and resid 144 and name HG13)) 4.200 2.200 1.800 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.11964E-02 ppm1 4.075 ppm2 0.847 CV 1
ASSI { 4629} (( segid " " and resid 102 and name HA )) ( segid " " and resid 144 and name HG2%) 4.100 2.100 1.900 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.25652E-02 ppm1 4.075 ppm2 0.536 CV 1
ASSI { 717} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB2 )) 1.900 1.900 4.100 peak 717 spectrum 1 weight 0.10000E+01 volume 0.64631E-02 ppm1 4.075 ppm2 1.488 CV 1
ASSI { 747} (( segid " " and resid 102 and name HD3 )) (( segid " " and resid 102 and name HD2 )) 1.400 0.300 0.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.35415E-01 ppm1 3.067 ppm2 3.058 CV 1
ASSI { 7959} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HN )) 1.800 1.800 4.200 peak 7959 spectrum 1 weight 0.10000E+01 volume 0.17336E-01 ppm1 4.075 ppm2 7.863 CV 1
ASSI { 1487} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 4.000 2.000 2.000 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.47834E-03 ppm1 7.582 ppm2 7.907 CV 1
ASSI { 1488} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HD2 )) 5.100 3.300 0.900 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.12726E-03 ppm1 7.582 ppm2 6.814 CV 1
ASSI { 1489} (( segid " " and resid 103 and name HN )) (( segid " " and resid 84 and name HN )) 4.500 2.500 1.500 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.27316E-03 ppm1 7.582 ppm2 8.844 CV 1
ASSI { 2164} (( segid " " and resid 103 and name HD1 )) (( segid " " and resid 103 and name HE1 )) 3.000 1.100 1.100 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.10251E-02 ppm1 10.860 ppm2 6.717 CV 1
ASSI { 4401} (( segid " " and resid 103 and name HA )) (( segid " " and resid 120 and name HB3 )) 3.300 1.400 1.400 peak 4401 spectrum 1 weight 0.10000E+01 volume 0.13903E-02 ppm1 4.405 ppm2 2.960 CV 1
ASSI { 513} (( segid " " and resid 103 and name HN )) (( segid " " and resid 85 and name HA2 )) 3.200 1.300 1.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.76730E-03 ppm1 7.582 ppm2 3.894 CV 1
ASSI { 514} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.200 0.600 0.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 7.582 ppm2 3.188 CV 1
ASSI { 516} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.10693E-02 ppm1 7.582 ppm2 1.489 CV 1
ASSI { 518} (( segid " " and resid 103 and name HN )) (( segid " " and resid 92 and name HG13)) 4.200 2.200 1.800 peak 518 spectrum 1 weight 0.10000E+01 volume 0.72288E-03 ppm1 7.582 ppm2 0.332 CV 1
ASSI { 6367} (( segid " " and resid 103 and name HA )) (( segid " " and resid 120 and name HB2 )) 3.100 1.200 1.200 peak 6367 spectrum 1 weight 0.10000E+01 volume 0.14419E-02 ppm1 4.406 ppm2 3.355 CV 1
ASSI { 6372} (( segid " " and resid 103 and name HE1 )) ( segid " " and resid 104 and name HB% ) 2.900 1.000 1.000 peak 6372 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 6.755 ppm2 1.102 CV 1
ASSI { 6468} (( segid " " and resid 103 and name HE1 )) (( segid " " and resid 103 and name HB2 )) 4.300 2.300 1.700 peak 6468 spectrum 1 weight 0.10000E+01 volume 0.45513E-03 ppm1 6.771 ppm2 3.272 CV 1
ASSI { 6469} (( segid " " and resid 103 and name HE1 )) (( segid " " and resid 103 and name HB3 )) 4.200 2.200 1.800 peak 6469 spectrum 1 weight 0.10000E+01 volume 0.55614E-03 ppm1 6.772 ppm2 3.183 CV 1
ASSI { 7273} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 104 and name HN )) 4.300 2.300 1.700 peak 7273 spectrum 1 weight 0.10000E+01 volume 0.49467E-03 ppm1 3.259 ppm2 8.467 CV 1
ASSI { 755} (( segid " " and resid 103 and name HB2 )) (( segid " " and resid 103 and name HB3 )) 2.300 0.600 0.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 3.258 ppm2 3.202 CV 1
ASSI { 760} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB2 )) 2.800 1.000 1.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.12397E-02 ppm1 4.406 ppm2 3.242 CV 1
ASSI { 761} (( segid " " and resid 103 and name HA )) (( segid " " and resid 103 and name HB3 )) 2.900 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.21818E-02 ppm1 4.405 ppm2 3.175 CV 1
ASSI { 7803} (( segid " " and resid 103 and name HD2 )) ( segid " " and resid 142 and name HG1%) 3.300 1.300 1.300 peak 7803 spectrum 1 weight 0.10000E+01 volume 0.17909E-02 ppm1 6.792 ppm2 0.934 CV 1
ASSI { 1091} (( segid " " and resid 104 and name HN )) (( segid " " and resid 84 and name HN )) 3.400 1.400 1.400 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.78587E-03 ppm1 8.425 ppm2 8.829 CV 1
ASSI { 1092} (( segid " " and resid 104 and name HN )) (( segid " " and resid 105 and name HN )) 3.800 1.800 1.800 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.74972E-03 ppm1 8.425 ppm2 8.978 CV 1
ASSI { 1093} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HN )) 2.400 0.700 0.700 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.29413E-02 ppm1 8.425 ppm2 7.562 CV 1
ASSI { 1094} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HE1 )) 3.700 1.700 1.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.83873E-03 ppm1 8.425 ppm2 6.725 CV 1
ASSI { 1097} (( segid " " and resid 104 and name HN )) (( segid " " and resid 85 and name HA2 )) 4.600 2.700 1.400 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.52284E-03 ppm1 8.425 ppm2 3.947 CV 1
ASSI { 1098} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB3 )) 2.500 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.34739E-02 ppm1 8.425 ppm2 3.178 CV 1
ASSI { 1099} (( segid " " and resid 104 and name HN )) ( segid " " and resid 104 and name HB% ) 2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.44339E-02 ppm1 8.425 ppm2 1.100 CV 1
ASSI { 4353} ( segid " " and resid 104 and name HB% ) (( segid " " and resid 117 and name HA )) 2.700 0.900 0.900 peak 4353 spectrum 1 weight 0.10000E+01 volume 0.25355E-02 ppm1 1.105 ppm2 4.809 CV 1
ASSI { 4355} ( segid " " and resid 104 and name HB% ) (( segid " " and resid 118 and name HN )) 3.300 1.400 1.400 peak 4355 spectrum 1 weight 0.10000E+01 volume 0.17708E-02 ppm1 1.105 ppm2 7.936 CV 1
ASSI { 4357} ( segid " " and resid 104 and name HB% ) (( segid " " and resid 116 and name HN )) 2.600 0.800 0.800 peak 4357 spectrum 1 weight 0.10000E+01 volume 0.21878E-02 ppm1 1.105 ppm2 8.561 CV 1
ASSI { 4718} (( segid " " and resid 104 and name HA )) (( segid " " and resid 104 and name HN )) 2.900 1.000 1.000 peak 4718 spectrum 1 weight 0.10000E+01 volume 0.17223E-02 ppm1 5.544 ppm2 8.439 CV 1
ASSI { 4719} (( segid " " and resid 104 and name HA )) (( segid " " and resid 105 and name HN )) 2.400 0.700 0.700 peak 4719 spectrum 1 weight 0.10000E+01 volume 0.40041E-02 ppm1 5.544 ppm2 9.019 CV 1
ASSI { 4720} (( segid " " and resid 104 and name HA )) ( segid " " and resid 144 and name HG2%) 4.200 2.200 1.800 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 5.551 ppm2 0.552 CV 1
ASSI { 6085} ( segid " " and resid 104 and name HB% ) ( segid " " and resid 144 and name HG2%) 3.100 1.200 1.200 peak 6085 spectrum 1 weight 0.10000E+01 volume 0.48577E-02 ppm1 1.105 ppm2 0.510 CV 1
ASSI { 6363} ( segid " " and resid 104 and name HB% ) ( segid " " and resid 118 and name HG1%) 3.100 1.200 1.200 peak 6363 spectrum 1 weight 0.10000E+01 volume 0.33124E-02 ppm1 1.105 ppm2 0.587 CV 1
ASSI { 764} ( segid " " and resid 104 and name HB% ) (( segid " " and resid 104 and name HA )) 2.300 0.700 0.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.53676E-02 ppm1 1.110 ppm2 5.541 CV 1
ASSI { 7784} ( segid " " and resid 104 and name HB% ) (( segid " " and resid 103 and name HD1 )) 3.400 1.400 1.400 peak 7784 spectrum 1 weight 0.10000E+01 volume 0.71502E-03 ppm1 1.105 ppm2 10.895 CV 1
ASSI { 1005} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 3.900 1.900 1.900 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.48781E-03 ppm1 9.015 ppm2 9.333 CV 1
ASSI { 1006} (( segid " " and resid 105 and name HN )) (( segid " " and resid 118 and name HN )) 4.100 2.100 1.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.74972E-03 ppm1 9.015 ppm2 7.911 CV 1
ASSI { 1008} (( segid " " and resid 105 and name HN )) (( segid " " and resid 115 and name HA )) 3.700 1.800 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 9.015 ppm2 4.862 CV 1
ASSI { 1010} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB3 )) 2.800 1.000 1.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.22496E-02 ppm1 9.015 ppm2 1.595 CV 1
ASSI { 1011} (( segid " " and resid 105 and name HN )) ( segid " " and resid 104 and name HB% ) 2.600 0.800 0.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.34577E-02 ppm1 9.015 ppm2 1.083 CV 1
ASSI { 1493} (( segid " " and resid 105 and name HN )) (( segid " " and resid 116 and name HA )) 4.300 2.300 1.700 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.45567E-03 ppm1 9.015 ppm2 4.558 CV 1
ASSI { 4119} (( segid " " and resid 105 and name HB2 )) ( segid " " and resid 81 and name HD1%) 2.500 0.800 0.800 peak 4119 spectrum 1 weight 0.10000E+01 volume 0.18190E-02 ppm1 1.665 ppm2 0.730 CV 1
ASSI { 4120} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 83 and name HA )) 3.600 1.600 1.600 peak 4120 spectrum 1 weight 0.10000E+01 volume 0.78321E-03 ppm1 1.665 ppm2 4.663 CV 1
ASSI { 4583} (( segid " " and resid 105 and name HA )) (( segid " " and resid 107 and name HA )) 3.700 3.700 2.300 peak 4583 spectrum 1 weight 0.10000E+01 volume 0.91056E-03 ppm1 4.986 ppm2 5.401 CV 1
ASSI { 4584} (( segid " " and resid 105 and name HA )) (( segid " " and resid 106 and name HN )) 2.300 0.700 0.700 peak 4584 spectrum 1 weight 0.10000E+01 volume 0.39130E-02 ppm1 4.986 ppm2 9.379 CV 1
ASSI { 4602} (( segid " " and resid 105 and name HA )) (( segid " " and resid 75 and name HB3 )) 3.700 1.700 1.700 peak 4602 spectrum 1 weight 0.10000E+01 volume 0.12287E-02 ppm1 4.986 ppm2 2.761 CV 1
ASSI { 7218} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 83 and name HA )) 4.500 2.500 1.500 peak 7218 spectrum 1 weight 0.10000E+01 volume 0.62509E-03 ppm1 2.115 ppm2 4.693 CV 1
ASSI { 7220} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HN )) 3.400 1.500 1.500 peak 7220 spectrum 1 weight 0.10000E+01 volume 0.39032E-03 ppm1 2.115 ppm2 8.965 CV 1
ASSI { 7221} (( segid " " and resid 105 and name HG3 )) (( segid " " and resid 83 and name HA )) 4.400 2.500 1.600 peak 7221 spectrum 1 weight 0.10000E+01 volume 0.72569E-03 ppm1 1.990 ppm2 4.693 CV 1
ASSI { 7222} (( segid " " and resid 105 and name HG3 )) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 7222 spectrum 1 weight 0.10000E+01 volume 0.53282E-03 ppm1 1.990 ppm2 9.043 CV 1
ASSI { 7289} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 107 and name HE )) 4.000 2.000 2.000 peak 7289 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 1.580 ppm2 7.124 CV 1
ASSI { 767} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG2 )) 3.200 1.300 1.300 peak 767 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 4.986 ppm2 2.130 CV 1
ASSI { 768} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG3 )) 3.100 1.200 1.200 peak 768 spectrum 1 weight 0.10000E+01 volume 0.22530E-02 ppm1 4.986 ppm2 1.993 CV 1
ASSI { 769} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.400 0.700 0.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.38972E-02 ppm1 4.986 ppm2 1.658 CV 1
ASSI { 770} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB3 )) 2.400 0.700 0.700 peak 770 spectrum 1 weight 0.10000E+01 volume 0.31562E-02 ppm1 4.986 ppm2 1.580 CV 1
ASSI { 772} (( segid " " and resid 105 and name HB3 )) (( segid " " and resid 105 and name HG2 )) 2.600 0.900 0.900 peak 772 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 1.580 ppm2 2.133 CV 1
ASSI { 776} (( segid " " and resid 105 and name HB2 )) (( segid " " and resid 105 and name HB3 )) 1.800 0.400 0.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.60578E-02 ppm1 1.649 ppm2 1.581 CV 1
ASSI { 782} (( segid " " and resid 105 and name HG3 )) (( segid " " and resid 105 and name HG2 )) 2.000 0.500 0.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.47135E-02 ppm1 1.977 ppm2 2.123 CV 1
ASSI { 785} (( segid " " and resid 105 and name HG3 )) (( segid " " and resid 105 and name HB3 )) 2.900 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.18927E-02 ppm1 1.978 ppm2 1.581 CV 1
ASSI { 8200} (( segid " " and resid 105 and name HA )) ( segid " " and resid 75 and name HD% ) 3.300 1.300 1.300 peak 8200 spectrum 1 weight 0.10000E+01 volume 0.15826E-02 ppm1 4.986 ppm2 6.898 CV 1
ASSI { 4064} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.900 1.100 1.100 peak 4064 spectrum 1 weight 0.10000E+01 volume 0.15180E-02 ppm1 2.931 ppm2 0.317 CV 1
ASSI { 4065} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 113 and name HD% ) 4.000 2.000 2.000 peak 4065 spectrum 1 weight 0.10000E+01 volume 0.10374E-02 ppm1 2.931 ppm2 7.142 CV 1
ASSI { 4520} (( segid " " and resid 106 and name HA )) ( segid " " and resid 106 and name HD% ) 2.700 0.900 0.900 peak 4520 spectrum 1 weight 0.10000E+01 volume 0.31460E-02 ppm1 4.704 ppm2 7.038 CV 1
ASSI { 4522} (( segid " " and resid 106 and name HA )) (( segid " " and resid 77 and name HB2 )) 3.800 3.800 2.200 peak 4522 spectrum 1 weight 0.10000E+01 volume 0.71560E-03 ppm1 4.707 ppm2 1.370 CV 1
ASSI { 6002} (( segid " " and resid 106 and name HB3 )) ( segid " " and resid 106 and name HD% ) 2.400 0.700 0.700 peak 6002 spectrum 1 weight 0.10000E+01 volume 0.31858E-02 ppm1 2.554 ppm2 7.043 CV 1
ASSI { 6462} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 106 and name HD% ) 2.700 0.900 0.900 peak 6462 spectrum 1 weight 0.10000E+01 volume 0.33439E-02 ppm1 2.930 ppm2 7.048 CV 1
ASSI { 7113} (( segid " " and resid 106 and name HB2 )) ( segid " " and resid 63 and name HD2%) 3.700 1.700 1.700 peak 7113 spectrum 1 weight 0.10000E+01 volume 0.59369E-03 ppm1 2.923 ppm2 -0.073 CV 1
ASSI { 795} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB2 )) 2.200 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.55692E-02 ppm1 4.707 ppm2 2.920 CV 1
ASSI { 796} (( segid " " and resid 106 and name HA )) (( segid " " and resid 106 and name HB3 )) 2.500 0.800 0.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.66661E-02 ppm1 4.707 ppm2 2.504 CV 1
ASSI { 798} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 106 and name HB2 )) 2.000 0.500 0.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.36226E-02 ppm1 2.520 ppm2 2.935 CV 1
ASSI { 8201} (( segid " " and resid 106 and name HB2 )) (( segid " " and resid 114 and name HN )) 3.400 1.500 1.500 peak 8201 spectrum 1 weight 0.10000E+01 volume 0.11281E-02 ppm1 2.931 ppm2 9.149 CV 1
ASSI { 8202} (( segid " " and resid 106 and name HB3 )) (( segid " " and resid 114 and name HN )) 4.100 2.100 1.900 peak 8202 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 2.520 ppm2 9.186 CV 1
ASSI { 841} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HN )) 4.000 2.000 2.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.56230E-03 ppm1 9.362 ppm2 9.662 CV 1
ASSI { 842} (( segid " " and resid 106 and name HN )) (( segid " " and resid 82 and name HN )) 3.000 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10066E-02 ppm1 9.362 ppm2 8.773 CV 1
ASSI { 843} (( segid " " and resid 106 and name HN )) ( segid " " and resid 75 and name HD% ) 2.700 0.900 0.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 9.362 ppm2 6.867 CV 1
ASSI { 844} (( segid " " and resid 106 and name HN )) (( segid " " and resid 107 and name HA )) 3.400 1.400 1.400 peak 844 spectrum 1 weight 0.10000E+01 volume 0.85721E-03 ppm1 9.362 ppm2 5.386 CV 1
ASSI { 848} (( segid " " and resid 106 and name HN )) (( segid " " and resid 75 and name HB2 )) 4.100 2.100 1.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 9.362 ppm2 2.991 CV 1
ASSI { 1497} (( segid " " and resid 107 and name HN )) ( segid " " and resid 115 and name HG2%) 4.500 2.600 1.500 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.37019E-03 ppm1 9.664 ppm2 0.047 CV 1
ASSI { 1632} (( segid " " and resid 107 and name HN )) (( segid " " and resid 116 and name HN )) 3.500 1.500 1.500 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.62440E-03 ppm1 9.664 ppm2 8.628 CV 1
ASSI { 1892} (( segid " " and resid 107 and name HE )) (( segid " " and resid 106 and name HA )) 3.700 1.800 1.800 peak 1892 spectrum 1 weight 0.10000E+01 volume 0.10557E-02 ppm1 7.149 ppm2 4.706 CV 1
ASSI { 1896} (( segid " " and resid 107 and name HE )) ( segid " " and resid 118 and name HG1%) 3.800 1.800 1.800 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.19161E-02 ppm1 7.149 ppm2 0.642 CV 1
ASSI { 371} (( segid " " and resid 107 and name HN )) (( segid " " and resid 114 and name HN )) 2.900 1.000 1.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.16004E-02 ppm1 9.664 ppm2 9.176 CV 1
ASSI { 372} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HA )) 2.400 0.700 0.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.40250E-02 ppm1 9.664 ppm2 5.401 CV 1
ASSI { 373} (( segid " " and resid 107 and name HN )) (( segid " " and resid 115 and name HA )) 3.200 1.300 1.300 peak 373 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 9.664 ppm2 4.895 CV 1
ASSI { 377} (( segid " " and resid 107 and name HN )) (( segid " " and resid 114 and name HB3 )) 4.500 2.500 1.500 peak 377 spectrum 1 weight 0.10000E+01 volume 0.40587E-03 ppm1 9.664 ppm2 2.243 CV 1
ASSI { 381} (( segid " " and resid 107 and name HN )) (( segid " " and resid 107 and name HE )) 4.100 2.100 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.45352E-03 ppm1 9.664 ppm2 7.140 CV 1
ASSI { 1501} (( segid " " and resid 108 and name HN )) (( segid " " and resid 107 and name HN )) 4.300 2.300 1.700 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.39551E-03 ppm1 8.927 ppm2 9.660 CV 1
ASSI { 251} (( segid " " and resid 108 and name HN )) (( segid " " and resid 81 and name HA )) 3.800 1.800 1.800 peak 251 spectrum 1 weight 0.10000E+01 volume 0.46805E-03 ppm1 8.927 ppm2 4.583 CV 1
ASSI { 252} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HA )) 3.100 1.200 1.200 peak 252 spectrum 1 weight 0.10000E+01 volume 0.92147E-03 ppm1 8.927 ppm2 4.412 CV 1
ASSI { 256} (( segid " " and resid 108 and name HN )) (( segid " " and resid 108 and name HB3 )) 2.900 1.000 1.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.20736E-02 ppm1 8.927 ppm2 0.906 CV 1
ASSI { 4221} (( segid " " and resid 108 and name HG )) (( segid " " and resid 80 and name HA )) 3.700 1.700 1.700 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.18672E-02 ppm1 0.893 ppm2 4.193 CV 1
ASSI { 4300} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 80 and name HA )) 2.400 0.700 0.700 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.63301E-02 ppm1 0.471 ppm2 4.174 CV 1
ASSI { 4301} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 111 and name HA )) 3.200 1.300 1.300 peak 4301 spectrum 1 weight 0.10000E+01 volume 0.30672E-02 ppm1 0.473 ppm2 3.988 CV 1
ASSI { 4302} ( segid " " and resid 108 and name HD1%) ( segid " " and resid 113 and name HD% ) 2.400 0.700 0.700 peak 4302 spectrum 1 weight 0.10000E+01 volume 0.51799E-02 ppm1 0.472 ppm2 7.193 CV 1
ASSI { 4303} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HN )) 3.500 1.600 1.600 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.33578E-02 ppm1 0.470 ppm2 8.950 CV 1
ASSI { 4456} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 111 and name HA )) 2.000 0.500 0.500 peak 4456 spectrum 1 weight 0.10000E+01 volume 0.85669E-02 ppm1 -0.193 ppm2 3.957 CV 1
ASSI { 4457} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 111 and name HB2 )) 4.100 2.100 1.900 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.24629E-02 ppm1 -0.193 ppm2 2.962 CV 1
ASSI { 4458} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 113 and name HA )) 3.600 1.600 1.600 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.20574E-02 ppm1 -0.193 ppm2 4.923 CV 1
ASSI { 4459} ( segid " " and resid 108 and name HD2%) ( segid " " and resid 113 and name HD% ) 3.200 1.300 1.300 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.65040E-02 ppm1 -0.193 ppm2 7.198 CV 1
ASSI { 4460} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 108 and name HN )) 3.500 1.500 1.500 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.26443E-02 ppm1 -0.193 ppm2 8.947 CV 1
ASSI { 4461} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 114 and name HN )) 4.300 2.300 1.700 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.10358E-02 ppm1 -0.193 ppm2 9.188 CV 1
ASSI { 4462} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 112 and name HA )) 3.100 1.200 1.200 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.26326E-02 ppm1 -0.193 ppm2 4.625 CV 1
ASSI { 4463} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 109 and name HG3 )) 3.600 1.600 1.600 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.10391E-02 ppm1 -0.189 ppm2 1.995 CV 1
ASSI { 6226} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HN )) 2.800 1.000 1.000 peak 6226 spectrum 1 weight 0.10000E+01 volume 0.17961E-02 ppm1 1.609 ppm2 8.952 CV 1
ASSI { 7022} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 109 and name HN )) 3.900 1.900 1.900 peak 7022 spectrum 1 weight 0.10000E+01 volume 0.95021E-03 ppm1 0.938 ppm2 8.784 CV 1
ASSI { 7570} (( segid " " and resid 108 and name HG )) (( segid " " and resid 111 and name HB3 )) 3.800 1.800 1.800 peak 7570 spectrum 1 weight 0.10000E+01 volume 0.16589E-02 ppm1 0.894 ppm2 2.869 CV 1
ASSI { 7571} (( segid " " and resid 108 and name HG )) (( segid " " and resid 111 and name HB2 )) 3.800 1.800 1.800 peak 7571 spectrum 1 weight 0.10000E+01 volume 0.16055E-02 ppm1 0.894 ppm2 3.002 CV 1
ASSI { 7575} (( segid " " and resid 108 and name HG )) (( segid " " and resid 108 and name HN )) 3.700 1.700 1.700 peak 7575 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 0.894 ppm2 8.944 CV 1
ASSI { 7678} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 112 and name HN )) 3.200 1.300 1.300 peak 7678 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 0.470 ppm2 7.608 CV 1
ASSI { 7680} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 113 and name HB3 )) 4.000 2.000 2.000 peak 7680 spectrum 1 weight 0.10000E+01 volume 0.76877E-03 ppm1 0.470 ppm2 2.468 CV 1
ASSI { 7692} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 112 and name HA )) 3.200 1.300 1.300 peak 7692 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 0.473 ppm2 4.634 CV 1
ASSI { 7871} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 109 and name HN )) 2.400 0.700 0.700 peak 7871 spectrum 1 weight 0.10000E+01 volume 0.73676E-02 ppm1 -0.193 ppm2 8.770 CV 1
ASSI { 7872} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 111 and name HN )) 2.600 0.900 0.900 peak 7872 spectrum 1 weight 0.10000E+01 volume 0.44980E-02 ppm1 -0.193 ppm2 8.579 CV 1
ASSI { 7873} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 112 and name HN )) 2.600 0.900 0.900 peak 7873 spectrum 1 weight 0.10000E+01 volume 0.56403E-02 ppm1 -0.193 ppm2 7.609 CV 1
ASSI { 7961} (( segid " " and resid 108 and name HA )) (( segid " " and resid 112 and name HN )) 3.400 1.500 1.500 peak 7961 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 4.424 ppm2 7.612 CV 1
ASSI { 803} (( segid " " and resid 108 and name HA )) ( segid " " and resid 108 and name HD2%) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.51225E-02 ppm1 4.424 ppm2 -0.176 CV 1
ASSI { 807} (( segid " " and resid 108 and name HA )) (( segid " " and resid 108 and name HB2 )) 2.700 0.900 0.900 peak 807 spectrum 1 weight 0.10000E+01 volume 0.21086E-02 ppm1 4.424 ppm2 1.644 CV 1
ASSI { 809} (( segid " " and resid 108 and name HB3 )) (( segid " " and resid 108 and name HA )) 3.200 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.14119E-02 ppm1 0.938 ppm2 4.431 CV 1
ASSI { 813} (( segid " " and resid 108 and name HB3 )) ( segid " " and resid 108 and name HD1%) 2.900 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.37945E-02 ppm1 0.938 ppm2 0.468 CV 1
ASSI { 817} (( segid " " and resid 108 and name HB2 )) (( segid " " and resid 108 and name HB3 )) 2.100 0.500 0.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.50172E-02 ppm1 1.609 ppm2 0.927 CV 1
ASSI { 8203} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 109 and name HN )) 3.800 1.800 1.800 peak 8203 spectrum 1 weight 0.10000E+01 volume 0.23281E-02 ppm1 0.469 ppm2 8.743 CV 1
ASSI { 8204} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 111 and name HB3 )) 3.800 1.800 1.800 peak 8204 spectrum 1 weight 0.10000E+01 volume 0.28063E-02 ppm1 -0.193 ppm2 2.899 CV 1
ASSI { 820} (( segid " " and resid 108 and name HB2 )) ( segid " " and resid 108 and name HD2%) 3.700 1.700 1.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.18458E-02 ppm1 1.620 ppm2 -0.213 CV 1
ASSI { 821} (( segid " " and resid 108 and name HG )) (( segid " " and resid 108 and name HA )) 2.700 0.900 0.900 peak 821 spectrum 1 weight 0.10000E+01 volume 0.20732E-02 ppm1 0.893 ppm2 4.405 CV 1
ASSI { 822} (( segid " " and resid 108 and name HG )) (( segid " " and resid 108 and name HB2 )) 2.100 0.500 0.500 peak 822 spectrum 1 weight 0.10000E+01 volume 0.12804E-01 ppm1 0.894 ppm2 1.626 CV 1
ASSI { 827} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HA )) 3.200 1.300 1.300 peak 827 spectrum 1 weight 0.10000E+01 volume 0.38558E-02 ppm1 0.472 ppm2 4.426 CV 1
ASSI { 828} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HB2 )) 2.100 0.600 0.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.10362E-01 ppm1 0.470 ppm2 1.645 CV 1
ASSI { 830} ( segid " " and resid 108 and name HD1%) (( segid " " and resid 108 and name HG )) 2.100 0.600 0.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.10620E-01 ppm1 0.463 ppm2 0.871 CV 1
ASSI { 835} ( segid " " and resid 108 and name HD2%) (( segid " " and resid 108 and name HB3 )) 1.900 0.500 0.500 peak 835 spectrum 1 weight 0.10000E+01 volume 0.14613E-01 ppm1 -0.191 ppm2 0.971 CV 1
ASSI { 837} ( segid " " and resid 108 and name HD2%) ( segid " " and resid 108 and name HD1%) 2.000 0.500 0.500 peak 837 spectrum 1 weight 0.10000E+01 volume 0.19482E-01 ppm1 -0.191 ppm2 0.474 CV 1
ASSI { 1503} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HN )) 4.200 2.200 1.800 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.51770E-03 ppm1 8.749 ppm2 9.330 CV 1
ASSI { 1625} (( segid " " and resid 109 and name HN )) (( segid " " and resid 110 and name HA )) 4.000 2.000 2.000 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.71774E-03 ppm1 8.749 ppm2 4.161 CV 1
ASSI { 1626} (( segid " " and resid 109 and name HN )) ( segid " " and resid 113 and name HD% ) 4.600 2.700 1.400 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.43840E-03 ppm1 8.749 ppm2 7.162 CV 1
ASSI { 259} (( segid " " and resid 109 and name HN )) (( segid " " and resid 112 and name HN )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.27508E-02 ppm1 8.749 ppm2 7.619 CV 1
ASSI { 261} (( segid " " and resid 109 and name HN )) (( segid " " and resid 113 and name HA )) 3.400 1.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 8.749 ppm2 4.973 CV 1
ASSI { 262} (( segid " " and resid 109 and name HN )) (( segid " " and resid 108 and name HA )) 2.200 0.600 0.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.68159E-02 ppm1 8.749 ppm2 4.389 CV 1
ASSI { 8207} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HN )) 2.800 1.000 1.000 peak 8207 spectrum 1 weight 0.10000E+01 volume 0.21976E-02 ppm1 4.426 ppm2 8.792 CV 1
ASSI { 841} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HG3 )) 3.100 1.200 1.200 peak 841 spectrum 1 weight 0.10000E+01 volume 0.15955E-02 ppm1 4.426 ppm2 1.991 CV 1
ASSI { 842} (( segid " " and resid 109 and name HA )) (( segid " " and resid 109 and name HB2 )) 2.900 1.100 1.100 peak 842 spectrum 1 weight 0.10000E+01 volume 0.26264E-02 ppm1 4.424 ppm2 1.818 CV 1
ASSI { 848} (( segid " " and resid 109 and name HB2 )) (( segid " " and resid 109 and name HB3 )) 1.600 0.300 0.600 peak 848 spectrum 1 weight 0.10000E+01 volume 0.28879E-01 ppm1 1.800 ppm2 1.736 CV 1
ASSI { 856} (( segid " " and resid 109 and name HG2 )) (( segid " " and resid 109 and name HG3 )) 1.600 0.300 0.600 peak 856 spectrum 1 weight 0.10000E+01 volume 0.34377E-01 ppm1 2.059 ppm2 2.018 CV 1
ASSI { 1507} (( segid " " and resid 110 and name HN )) (( segid " " and resid 108 and name HG )) 4.500 2.500 1.500 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.28770E-03 ppm1 9.345 ppm2 0.897 CV 1
ASSI { 1508} (( segid " " and resid 110 and name HN )) ( segid " " and resid 108 and name HD2%) 4.400 2.400 1.600 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.38105E-03 ppm1 9.345 ppm2 -0.214 CV 1
ASSI { 1808} (( segid " " and resid 110 and name HD21)) (( segid " " and resid 110 and name HB3 )) 2.500 0.800 0.800 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.45800E-02 ppm1 7.641 ppm2 2.678 CV 1
ASSI { 1809} (( segid " " and resid 110 and name HD21)) (( segid " " and resid 110 and name HB2 )) 2.700 0.900 0.900 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.29702E-02 ppm1 7.641 ppm2 2.909 CV 1
ASSI { 1813} (( segid " " and resid 110 and name HD21)) (( segid " " and resid 109 and name HB3 )) 3.200 1.300 1.300 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.87489E-03 ppm1 7.641 ppm2 1.744 CV 1
ASSI { 1817} (( segid " " and resid 110 and name HD22)) (( segid " " and resid 110 and name HB3 )) 3.500 1.500 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 6.794 ppm2 2.667 CV 1
ASSI { 1819} (( segid " " and resid 110 and name HD22)) (( segid " " and resid 109 and name HB3 )) 3.900 1.900 1.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.53963E-03 ppm1 6.794 ppm2 1.733 CV 1
ASSI { 1926} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HA )) 4.400 2.400 1.600 peak 1926 spectrum 1 weight 0.10000E+01 volume 0.88052E-03 ppm1 9.345 ppm2 3.953 CV 1
ASSI { 4092} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 109 and name HB2 )) 4.000 2.000 2.000 peak 4092 spectrum 1 weight 0.10000E+01 volume 0.93241E-03 ppm1 2.934 ppm2 1.797 CV 1
ASSI { 482} (( segid " " and resid 110 and name HN )) (( segid " " and resid 111 and name HN )) 2.800 1.000 1.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.19249E-02 ppm1 9.345 ppm2 8.576 CV 1
ASSI { 484} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HA )) 2.200 0.600 0.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.74891E-02 ppm1 9.345 ppm2 4.404 CV 1
ASSI { 486} (( segid " " and resid 110 and name HN )) (( segid " " and resid 110 and name HB2 )) 3.400 1.500 1.500 peak 486 spectrum 1 weight 0.10000E+01 volume 0.19305E-02 ppm1 9.345 ppm2 2.903 CV 1
ASSI { 488} (( segid " " and resid 110 and name HN )) (( segid " " and resid 109 and name HG3 )) 3.600 1.600 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.15385E-02 ppm1 9.345 ppm2 2.000 CV 1
ASSI { 7205} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HN )) 3.200 1.300 1.300 peak 7205 spectrum 1 weight 0.10000E+01 volume 0.20653E-02 ppm1 2.700 ppm2 9.376 CV 1
ASSI { 7206} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 110 and name HD22)) 3.600 1.600 1.600 peak 7206 spectrum 1 weight 0.10000E+01 volume 0.16360E-02 ppm1 2.935 ppm2 6.822 CV 1
ASSI { 7208} (( segid " " and resid 110 and name HB2 )) (( segid " " and resid 111 and name HN )) 3.300 1.400 1.400 peak 7208 spectrum 1 weight 0.10000E+01 volume 0.20711E-02 ppm1 2.937 ppm2 8.600 CV 1
ASSI { 7927} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HN )) 2.200 0.600 0.600 peak 7927 spectrum 1 weight 0.10000E+01 volume 0.10291E-01 ppm1 4.187 ppm2 9.368 CV 1
ASSI { 8208} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 109 and name HA )) 4.100 2.100 1.900 peak 8208 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 2.697 ppm2 4.400 CV 1
ASSI { 865} (( segid " " and resid 110 and name HA )) (( segid " " and resid 110 and name HB2 )) 2.400 0.700 0.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.78656E-02 ppm1 4.187 ppm2 2.932 CV 1
ASSI { 867} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HA )) 2.400 0.700 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.61939E-02 ppm1 2.682 ppm2 4.169 CV 1
ASSI { 868} (( segid " " and resid 110 and name HB3 )) (( segid " " and resid 110 and name HB2 )) 1.700 0.300 0.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.28781E-01 ppm1 2.685 ppm2 2.919 CV 1
ASSI { 1319} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HA )) 3.300 1.300 1.300 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.16212E-02 ppm1 8.572 ppm2 4.385 CV 1
ASSI { 1320} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HA )) 2.500 0.800 0.800 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.42355E-02 ppm1 8.572 ppm2 4.162 CV 1
ASSI { 1321} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HA )) 2.100 0.500 0.500 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.93674E-02 ppm1 8.572 ppm2 3.964 CV 1
ASSI { 1323} (( segid " " and resid 111 and name HN )) (( segid " " and resid 110 and name HB3 )) 3.600 1.700 1.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.14605E-02 ppm1 8.572 ppm2 2.674 CV 1
ASSI { 1325} (( segid " " and resid 111 and name HN )) (( segid " " and resid 108 and name HG )) 4.000 2.000 2.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.87489E-03 ppm1 8.572 ppm2 0.887 CV 1
ASSI { 1326} (( segid " " and resid 111 and name HN )) ( segid " " and resid 108 and name HD1%) 4.500 2.500 1.500 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.99781E-03 ppm1 8.572 ppm2 0.453 CV 1
ASSI { 1509} (( segid " " and resid 111 and name HN )) (( segid " " and resid 109 and name HG3 )) 2.700 2.700 3.300 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.39397E-03 ppm1 8.572 ppm2 1.990 CV 1
ASSI { 1511} (( segid " " and resid 111 and name HN )) (( segid " " and resid 112 and name HA )) 4.500 2.500 1.500 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.41616E-03 ppm1 8.572 ppm2 4.628 CV 1
ASSI { 1512} (( segid " " and resid 111 and name HN )) (( segid " " and resid 111 and name HD22)) 4.000 2.000 2.000 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.56744E-03 ppm1 8.572 ppm2 6.779 CV 1
ASSI { 1840} (( segid " " and resid 111 and name HD22)) (( segid " " and resid 111 and name HA )) 4.200 2.200 1.800 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.45929E-03 ppm1 6.778 ppm2 3.962 CV 1
ASSI { 4080} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 110 and name HA )) 4.200 2.200 1.800 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.71210E-03 ppm1 2.892 ppm2 4.197 CV 1
ASSI { 4610} (( segid " " and resid 111 and name HA )) (( segid " " and resid 108 and name HG )) 3.700 1.700 1.700 peak 4610 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 3.980 ppm2 0.879 CV 1
ASSI { 7173} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HD22)) 3.700 1.700 1.700 peak 7173 spectrum 1 weight 0.10000E+01 volume 0.16208E-02 ppm1 2.999 ppm2 6.809 CV 1
ASSI { 7174} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HD21)) 2.800 1.000 1.000 peak 7174 spectrum 1 weight 0.10000E+01 volume 0.28775E-02 ppm1 3.001 ppm2 7.488 CV 1
ASSI { 7175} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 112 and name HN )) 3.100 1.200 1.200 peak 7175 spectrum 1 weight 0.10000E+01 volume 0.14587E-02 ppm1 3.001 ppm2 7.610 CV 1
ASSI { 7176} (( segid " " and resid 111 and name HB2 )) (( segid " " and resid 111 and name HN )) 3.100 1.200 1.200 peak 7176 spectrum 1 weight 0.10000E+01 volume 0.28340E-02 ppm1 3.001 ppm2 8.589 CV 1
ASSI { 7177} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HD22)) 3.700 1.700 1.700 peak 7177 spectrum 1 weight 0.10000E+01 volume 0.15395E-02 ppm1 2.907 ppm2 6.820 CV 1
ASSI { 7178} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HD21)) 3.100 1.200 1.200 peak 7178 spectrum 1 weight 0.10000E+01 volume 0.14640E-02 ppm1 2.905 ppm2 7.465 CV 1
ASSI { 7179} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 112 and name HN )) 3.700 1.800 1.800 peak 7179 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 2.905 ppm2 7.654 CV 1
ASSI { 7180} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HN )) 3.400 1.500 1.500 peak 7180 spectrum 1 weight 0.10000E+01 volume 0.27056E-02 ppm1 2.906 ppm2 8.600 CV 1
ASSI { 873} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB3 )) 2.200 0.600 0.600 peak 873 spectrum 1 weight 0.10000E+01 volume 0.57339E-02 ppm1 3.980 ppm2 2.888 CV 1
ASSI { 874} (( segid " " and resid 111 and name HA )) (( segid " " and resid 111 and name HB2 )) 2.600 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.74828E-02 ppm1 3.980 ppm2 2.989 CV 1
ASSI { 877} (( segid " " and resid 111 and name HB3 )) (( segid " " and resid 111 and name HB2 )) 1.800 0.400 0.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.18360E-01 ppm1 2.892 ppm2 2.998 CV 1
ASSI { 1432} (( segid " " and resid 112 and name HG2 )) (( segid " " and resid 112 and name HG3 )) 1.600 0.300 0.600 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.35415E-01 ppm1 2.255 ppm2 2.242 CV 1
ASSI { 1513} (( segid " " and resid 112 and name HN )) (( segid " " and resid 114 and name HD21)) 4.500 2.500 1.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.46081E-03 ppm1 7.605 ppm2 6.675 CV 1
ASSI { 4600} (( segid " " and resid 112 and name HA )) ( segid " " and resid 135 and name HG2%) 2.900 1.100 1.100 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.73478E-02 ppm1 4.645 ppm2 0.842 CV 1
ASSI { 7357} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 114 and name HD21)) 4.300 2.300 1.700 peak 7357 spectrum 1 weight 0.10000E+01 volume 0.74190E-03 ppm1 2.055 ppm2 6.666 CV 1
ASSI { 7360} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 136 and name HN )) 3.400 1.400 1.400 peak 7360 spectrum 1 weight 0.10000E+01 volume 0.17453E-02 ppm1 2.055 ppm2 8.429 CV 1
ASSI { 7362} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 114 and name HD22)) 4.100 2.100 1.900 peak 7362 spectrum 1 weight 0.10000E+01 volume 0.72667E-03 ppm1 1.885 ppm2 6.641 CV 1
ASSI { 7363} (( segid " " and resid 112 and name HB3 )) (( segid " " and resid 110 and name HD21)) 3.700 1.800 1.800 peak 7363 spectrum 1 weight 0.10000E+01 volume 0.16818E-02 ppm1 1.885 ppm2 7.657 CV 1
ASSI { 884} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.39981E-02 ppm1 4.645 ppm2 2.046 CV 1
ASSI { 885} (( segid " " and resid 112 and name HA )) (( segid " " and resid 112 and name HB3 )) 2.700 0.900 0.900 peak 885 spectrum 1 weight 0.10000E+01 volume 0.22498E-02 ppm1 4.645 ppm2 1.881 CV 1
ASSI { 893} (( segid " " and resid 112 and name HB2 )) (( segid " " and resid 112 and name HB3 )) 1.500 0.300 0.700 peak 893 spectrum 1 weight 0.10000E+01 volume 0.32885E-01 ppm1 2.055 ppm2 1.887 CV 1
ASSI { 965} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HN )) 2.500 0.800 0.800 peak 965 spectrum 1 weight 0.10000E+01 volume 0.37503E-02 ppm1 7.605 ppm2 8.601 CV 1
ASSI { 967} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HN )) 3.700 1.800 1.800 peak 967 spectrum 1 weight 0.10000E+01 volume 0.68159E-03 ppm1 7.605 ppm2 9.351 CV 1
ASSI { 968} (( segid " " and resid 112 and name HN )) (( segid " " and resid 113 and name HN )) 4.100 2.100 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.76730E-03 ppm1 7.605 ppm2 9.614 CV 1
ASSI { 969} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HA )) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.18727E-02 ppm1 7.605 ppm2 4.604 CV 1
ASSI { 972} (( segid " " and resid 112 and name HN )) (( segid " " and resid 111 and name HA )) 2.700 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.29821E-02 ppm1 7.605 ppm2 3.959 CV 1
ASSI { 974} (( segid " " and resid 112 and name HN )) (( segid " " and resid 110 and name HB3 )) 4.100 2.100 1.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.56671E-03 ppm1 7.605 ppm2 2.684 CV 1
ASSI { 976} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB2 )) 2.700 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.24679E-02 ppm1 7.605 ppm2 2.013 CV 1
ASSI { 977} (( segid " " and resid 112 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.35565E-02 ppm1 7.605 ppm2 1.842 CV 1
ASSI { 1515} (( segid " " and resid 113 and name HN )) ( segid " " and resid 108 and name HD2%) 2.600 2.600 3.400 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.57104E-03 ppm1 9.631 ppm2 -0.214 CV 1
ASSI { 1516} (( segid " " and resid 113 and name HN )) (( segid " " and resid 108 and name HA )) 3.900 1.900 1.900 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.60536E-03 ppm1 9.631 ppm2 4.419 CV 1
ASSI { 4045} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 106 and name HD% ) 3.200 1.300 1.300 peak 4045 spectrum 1 weight 0.10000E+01 volume 0.27372E-02 ppm1 2.941 ppm2 7.015 CV 1
ASSI { 4046} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 113 and name HD% ) 2.500 0.800 0.800 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.31600E-02 ppm1 2.941 ppm2 7.151 CV 1
ASSI { 4047} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 77 and name HD2%) 2.900 1.100 1.100 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 2.941 ppm2 0.329 CV 1
ASSI { 4054} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 77 and name HD2%) 3.000 1.100 1.100 peak 4054 spectrum 1 weight 0.10000E+01 volume 0.12125E-02 ppm1 2.508 ppm2 0.304 CV 1
ASSI { 4056} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 106 and name HD% ) 2.600 0.800 0.800 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.19842E-02 ppm1 2.508 ppm2 7.027 CV 1
ASSI { 4367} (( segid " " and resid 113 and name HA )) (( segid " " and resid 108 and name HG )) 3.300 1.300 1.300 peak 4367 spectrum 1 weight 0.10000E+01 volume 0.98697E-03 ppm1 4.951 ppm2 0.910 CV 1
ASSI { 4368} (( segid " " and resid 113 and name HA )) (( segid " " and resid 108 and name HA )) 2.000 0.500 0.500 peak 4368 spectrum 1 weight 0.10000E+01 volume 0.95850E-02 ppm1 4.953 ppm2 4.412 CV 1
ASSI { 4369} (( segid " " and resid 113 and name HA )) ( segid " " and resid 113 and name HD% ) 2.900 1.100 1.100 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.22193E-02 ppm1 4.953 ppm2 7.145 CV 1
ASSI { 6430} (( segid " " and resid 113 and name HB3 )) ( segid " " and resid 113 and name HD% ) 2.600 0.900 0.900 peak 6430 spectrum 1 weight 0.10000E+01 volume 0.25080E-02 ppm1 2.508 ppm2 7.189 CV 1
ASSI { 6502} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 108 and name HB2 )) 3.400 1.400 1.400 peak 6502 spectrum 1 weight 0.10000E+01 volume 0.10040E-02 ppm1 7.165 ppm2 1.650 CV 1
ASSI { 6515} ( segid " " and resid 113 and name HD% ) (( segid " " and resid 108 and name HG )) 3.100 1.200 1.200 peak 6515 spectrum 1 weight 0.10000E+01 volume 0.15036E-02 ppm1 7.165 ppm2 0.954 CV 1
ASSI { 700} (( segid " " and resid 113 and name HN )) (( segid " " and resid 114 and name HN )) 3.800 1.800 1.800 peak 700 spectrum 1 weight 0.10000E+01 volume 0.85400E-03 ppm1 9.631 ppm2 9.152 CV 1
ASSI { 702} (( segid " " and resid 113 and name HN )) ( segid " " and resid 113 and name HD% ) 2.600 0.900 0.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 9.631 ppm2 7.140 CV 1
ASSI { 703} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HA )) 2.900 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.12742E-02 ppm1 9.631 ppm2 4.944 CV 1
ASSI { 705} (( segid " " and resid 113 and name HN )) (( segid " " and resid 113 and name HB2 )) 2.800 1.000 1.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.17698E-02 ppm1 9.631 ppm2 2.906 CV 1
ASSI { 7086} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HD22)) 4.200 2.200 1.800 peak 7086 spectrum 1 weight 0.10000E+01 volume 0.72036E-03 ppm1 2.941 ppm2 6.570 CV 1
ASSI { 7087} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 114 and name HD21)) 3.900 1.900 1.900 peak 7087 spectrum 1 weight 0.10000E+01 volume 0.10518E-02 ppm1 2.508 ppm2 6.663 CV 1
ASSI { 7088} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.700 3.700 2.300 peak 7088 spectrum 1 weight 0.10000E+01 volume 0.14138E-02 ppm1 2.941 ppm2 8.604 CV 1
ASSI { 7089} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 114 and name HN )) 3.600 1.600 1.600 peak 7089 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 2.941 ppm2 9.162 CV 1
ASSI { 7091} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 114 and name HN )) 3.400 1.500 1.500 peak 7091 spectrum 1 weight 0.10000E+01 volume 0.13024E-02 ppm1 2.508 ppm2 9.162 CV 1
ASSI { 7092} (( segid " " and resid 113 and name HB3 )) (( segid " " and resid 113 and name HN )) 3.400 1.500 1.500 peak 7092 spectrum 1 weight 0.10000E+01 volume 0.13563E-02 ppm1 2.508 ppm2 9.654 CV 1
ASSI { 7094} (( segid " " and resid 113 and name HB2 )) ( segid " " and resid 63 and name HD2%) 3.900 1.900 1.900 peak 7094 spectrum 1 weight 0.10000E+01 volume 0.74545E-03 ppm1 2.941 ppm2 -0.078 CV 1
ASSI { 709} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB2 )) 3.300 1.300 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.17723E-02 ppm1 9.631 ppm2 2.025 CV 1
ASSI { 710} (( segid " " and resid 113 and name HN )) (( segid " " and resid 112 and name HB3 )) 3.000 1.100 1.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13159E-02 ppm1 9.631 ppm2 1.854 CV 1
ASSI { 711} (( segid " " and resid 113 and name HN )) ( segid " " and resid 135 and name HG2%) 3.700 1.700 1.700 peak 711 spectrum 1 weight 0.10000E+01 volume 0.71156E-03 ppm1 9.631 ppm2 0.841 CV 1
ASSI { 900} (( segid " " and resid 113 and name HA )) (( segid " " and resid 113 and name HB3 )) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 4.953 ppm2 2.472 CV 1
ASSI { 904} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HB3 )) 2.000 0.500 0.500 peak 904 spectrum 1 weight 0.10000E+01 volume 0.46917E-02 ppm1 2.941 ppm2 2.508 CV 1
ASSI { 906} (( segid " " and resid 113 and name HB2 )) (( segid " " and resid 113 and name HA )) 3.400 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.11534E-02 ppm1 2.941 ppm2 4.968 CV 1
ASSI { 1517} (( segid " " and resid 114 and name HN )) (( segid " " and resid 135 and name HA )) 4.200 2.200 1.800 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.45423E-03 ppm1 9.171 ppm2 4.090 CV 1
ASSI { 1746} (( segid " " and resid 114 and name HD21)) ( segid " " and resid 113 and name HD% ) 4.300 2.300 1.700 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.47464E-03 ppm1 6.698 ppm2 7.153 CV 1
ASSI { 1748} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 114 and name HD22)) 1.600 0.300 0.600 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.17409E-01 ppm1 6.698 ppm2 6.615 CV 1
ASSI { 1749} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 113 and name HA )) 3.300 1.300 1.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.71880E-03 ppm1 6.698 ppm2 4.927 CV 1
ASSI { 1750} (( segid " " and resid 114 and name HD21)) (( segid " " and resid 108 and name HA )) 3.500 1.500 1.500 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.53378E-03 ppm1 6.698 ppm2 4.401 CV 1
ASSI { 1758} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 109 and name HN )) 3.400 1.500 1.500 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.73734E-03 ppm1 6.609 ppm2 8.708 CV 1
ASSI { 1762} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 113 and name HA )) 4.600 2.600 1.400 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.40274E-03 ppm1 6.609 ppm2 4.927 CV 1
ASSI { 1763} (( segid " " and resid 114 and name HD22)) (( segid " " and resid 108 and name HA )) 4.300 2.300 1.700 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.39446E-03 ppm1 6.609 ppm2 4.413 CV 1
ASSI { 4037} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 115 and name HN )) 2.700 0.900 0.900 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.22806E-02 ppm1 2.257 ppm2 9.044 CV 1
ASSI { 4038} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HN )) 3.500 1.500 1.500 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 2.257 ppm2 9.201 CV 1
ASSI { 4039} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 115 and name HN )) 3.600 1.700 1.700 peak 4039 spectrum 1 weight 0.10000E+01 volume 0.16945E-02 ppm1 2.523 ppm2 9.016 CV 1
ASSI { 4040} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HN )) 2.700 0.900 0.900 peak 4040 spectrum 1 weight 0.10000E+01 volume 0.23281E-02 ppm1 2.522 ppm2 9.200 CV 1
ASSI { 4695} (( segid " " and resid 114 and name HA )) (( segid " " and resid 135 and name HA )) 2.600 0.800 0.800 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.28242E-02 ppm1 5.569 ppm2 4.090 CV 1
ASSI { 7049} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 134 and name HN )) 4.400 2.400 1.600 peak 7049 spectrum 1 weight 0.10000E+01 volume 0.70871E-03 ppm1 2.523 ppm2 8.742 CV 1
ASSI { 7050} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 134 and name HN )) 3.300 1.400 1.400 peak 7050 spectrum 1 weight 0.10000E+01 volume 0.85356E-03 ppm1 2.258 ppm2 8.751 CV 1
ASSI { 7051} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 136 and name HN )) 4.300 2.300 1.700 peak 7051 spectrum 1 weight 0.10000E+01 volume 0.75080E-03 ppm1 2.248 ppm2 8.439 CV 1
ASSI { 7052} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 136 and name HN )) 4.700 2.700 1.300 peak 7052 spectrum 1 weight 0.10000E+01 volume 0.56226E-03 ppm1 2.523 ppm2 8.439 CV 1
ASSI { 7053} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HD21)) 2.600 0.800 0.800 peak 7053 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 2.523 ppm2 6.699 CV 1
ASSI { 7054} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HD21)) 3.400 1.500 1.500 peak 7054 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 2.260 ppm2 6.689 CV 1
ASSI { 7055} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 115 and name HA )) 3.800 1.800 1.800 peak 7055 spectrum 1 weight 0.10000E+01 volume 0.79012E-03 ppm1 2.260 ppm2 4.909 CV 1
ASSI { 7056} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 116 and name HA )) 4.000 2.000 2.000 peak 7056 spectrum 1 weight 0.10000E+01 volume 0.61701E-03 ppm1 2.257 ppm2 4.537 CV 1
ASSI { 7057} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 135 and name HA )) 3.100 1.200 1.200 peak 7057 spectrum 1 weight 0.10000E+01 volume 0.15751E-02 ppm1 2.260 ppm2 4.098 CV 1
ASSI { 7058} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 113 and name HA )) 4.000 2.000 2.000 peak 7058 spectrum 1 weight 0.10000E+01 volume 0.99960E-03 ppm1 2.519 ppm2 4.936 CV 1
ASSI { 7059} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 135 and name HA )) 3.900 1.900 1.900 peak 7059 spectrum 1 weight 0.10000E+01 volume 0.10670E-02 ppm1 2.519 ppm2 4.105 CV 1
ASSI { 7060} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 107 and name HN )) 3.100 1.200 1.200 peak 7060 spectrum 1 weight 0.10000E+01 volume 0.12125E-02 ppm1 2.522 ppm2 9.674 CV 1
ASSI { 7072} (( segid " " and resid 114 and name HB2 )) ( segid " " and resid 134 and name HB% ) 4.200 2.200 1.800 peak 7072 spectrum 1 weight 0.10000E+01 volume 0.11927E-02 ppm1 2.519 ppm2 1.275 CV 1
ASSI { 910} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HA )) 2.600 0.800 0.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.31048E-02 ppm1 2.257 ppm2 5.540 CV 1
ASSI { 911} (( segid " " and resid 114 and name HB3 )) (( segid " " and resid 114 and name HB2 )) 1.800 0.400 0.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.13312E-01 ppm1 2.257 ppm2 2.521 CV 1
ASSI { 915} (( segid " " and resid 114 and name HB2 )) (( segid " " and resid 114 and name HA )) 3.200 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.21837E-02 ppm1 2.519 ppm2 5.549 CV 1
ASSI { 920} (( segid " " and resid 114 and name HN )) (( segid " " and resid 109 and name HN )) 4.100 2.100 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.72802E-03 ppm1 9.171 ppm2 8.738 CV 1
ASSI { 921} (( segid " " and resid 114 and name HN )) ( segid " " and resid 113 and name HD% ) 3.900 1.900 1.900 peak 921 spectrum 1 weight 0.10000E+01 volume 0.12412E-02 ppm1 9.171 ppm2 7.142 CV 1
ASSI { 922} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HD21)) 2.700 0.900 0.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.13031E-02 ppm1 9.171 ppm2 6.693 CV 1
ASSI { 923} (( segid " " and resid 114 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 923 spectrum 1 weight 0.10000E+01 volume 0.12605E-02 ppm1 9.171 ppm2 5.545 CV 1
ASSI { 925} (( segid " " and resid 114 and name HN )) (( segid " " and resid 113 and name HA )) 2.300 0.600 0.600 peak 925 spectrum 1 weight 0.10000E+01 volume 0.45681E-02 ppm1 9.171 ppm2 4.947 CV 1
ASSI { 926} (( segid " " and resid 114 and name HN )) (( segid " " and resid 108 and name HA )) 3.200 1.300 1.300 peak 926 spectrum 1 weight 0.10000E+01 volume 0.13135E-02 ppm1 9.171 ppm2 4.385 CV 1
ASSI { 933} (( segid " " and resid 114 and name HN )) ( segid " " and resid 77 and name HD2%) 4.100 2.100 1.900 peak 933 spectrum 1 weight 0.10000E+01 volume 0.54839E-03 ppm1 9.171 ppm2 0.320 CV 1
ASSI { 4362} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 133 and name HA )) 3.400 1.500 1.500 peak 4362 spectrum 1 weight 0.10000E+01 volume 0.11026E-02 ppm1 0.065 ppm2 5.408 CV 1
ASSI { 4557} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 133 and name HA )) 3.400 1.500 1.500 peak 4557 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 0.706 ppm2 5.430 CV 1
ASSI { 4558} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 114 and name HA )) 3.200 1.300 1.300 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 0.708 ppm2 5.560 CV 1
ASSI { 4559} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 103 and name HD2 )) 3.600 1.600 1.600 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.17198E-02 ppm1 0.706 ppm2 6.798 CV 1
ASSI { 4560} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 116 and name HN )) 3.500 1.500 1.500 peak 4560 spectrum 1 weight 0.10000E+01 volume 0.19486E-02 ppm1 0.706 ppm2 8.622 CV 1
ASSI { 4561} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 115 and name HN )) 2.400 0.700 0.700 peak 4561 spectrum 1 weight 0.10000E+01 volume 0.58123E-02 ppm1 0.706 ppm2 9.049 CV 1
ASSI { 6084} ( segid " " and resid 115 and name HG2%) ( segid " " and resid 104 and name HB% ) 2.500 0.800 0.800 peak 6084 spectrum 1 weight 0.10000E+01 volume 0.45317E-02 ppm1 0.065 ppm2 1.101 CV 1
ASSI { 728} (( segid " " and resid 115 and name HN )) (( segid " " and resid 136 and name HN )) 3.900 1.900 1.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 9.012 ppm2 8.381 CV 1
ASSI { 729} (( segid " " and resid 115 and name HN )) (( segid " " and resid 114 and name HA )) 2.500 0.800 0.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 9.012 ppm2 5.520 CV 1
ASSI { 730} (( segid " " and resid 115 and name HN )) (( segid " " and resid 115 and name HA )) 3.200 1.200 1.200 peak 730 spectrum 1 weight 0.10000E+01 volume 0.90382E-03 ppm1 9.012 ppm2 4.851 CV 1
ASSI { 7328} (( segid " " and resid 115 and name HB )) (( segid " " and resid 103 and name HD2 )) 3.600 1.600 1.600 peak 7328 spectrum 1 weight 0.10000E+01 volume 0.12466E-02 ppm1 1.579 ppm2 6.807 CV 1
ASSI { 732} (( segid " " and resid 115 and name HN )) (( segid " " and resid 135 and name HA )) 3.700 1.700 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 9.012 ppm2 4.089 CV 1
ASSI { 741} (( segid " " and resid 115 and name HN )) ( segid " " and resid 115 and name HG2%) 3.300 1.400 1.400 peak 741 spectrum 1 weight 0.10000E+01 volume 0.11087E-02 ppm1 9.012 ppm2 0.043 CV 1
ASSI { 7912} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 131 and name HN )) 4.100 2.100 1.900 peak 7912 spectrum 1 weight 0.10000E+01 volume 0.94387E-03 ppm1 0.706 ppm2 8.317 CV 1
ASSI { 917} (( segid " " and resid 115 and name HA )) (( segid " " and resid 115 and name HB )) 3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.76511E-03 ppm1 4.864 ppm2 1.608 CV 1
ASSI { 919} (( segid " " and resid 115 and name HA )) ( segid " " and resid 115 and name HG2%) 2.900 1.000 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.26364E-02 ppm1 4.864 ppm2 0.053 CV 1
ASSI { 925} ( segid " " and resid 115 and name HG2%) (( segid " " and resid 115 and name HB )) 2.400 0.700 0.700 peak 925 spectrum 1 weight 0.10000E+01 volume 0.47845E-02 ppm1 0.065 ppm2 1.589 CV 1
ASSI { 926} ( segid " " and resid 115 and name HG2%) ( segid " " and resid 115 and name HG1%) 2.100 0.600 0.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.13210E-01 ppm1 0.066 ppm2 0.699 CV 1
ASSI { 929} ( segid " " and resid 115 and name HG1%) (( segid " " and resid 115 and name HB )) 2.300 0.700 0.700 peak 929 spectrum 1 weight 0.10000E+01 volume 0.65336E-02 ppm1 0.710 ppm2 1.568 CV 1
ASSI { 4095} (( segid " " and resid 116 and name HB )) (( segid " " and resid 116 and name HN )) 2.400 0.700 0.700 peak 4095 spectrum 1 weight 0.10000E+01 volume 0.27135E-02 ppm1 1.681 ppm2 8.617 CV 1
ASSI { 412} (( segid " " and resid 116 and name HN )) (( segid " " and resid 105 and name HN )) 2.600 0.800 0.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23514E-02 ppm1 8.591 ppm2 9.011 CV 1
ASSI { 414} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HA )) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.28375E-02 ppm1 8.591 ppm2 4.865 CV 1
ASSI { 416} (( segid " " and resid 116 and name HN )) ( segid " " and resid 115 and name HG2%) 2.900 1.000 1.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.29742E-02 ppm1 8.591 ppm2 0.037 CV 1
ASSI { 418} (( segid " " and resid 116 and name HN )) (( segid " " and resid 106 and name HA )) 2.600 2.600 3.400 peak 418 spectrum 1 weight 0.10000E+01 volume 0.70553E-02 ppm1 8.573 ppm2 4.717 CV 1
ASSI { 422} (( segid " " and resid 116 and name HN )) (( segid " " and resid 115 and name HB )) 2.700 0.900 0.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.64279E-02 ppm1 8.573 ppm2 1.631 CV 1
ASSI { 4324} (( segid " " and resid 116 and name HA )) (( segid " " and resid 117 and name HN )) 2.300 0.600 0.600 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.61581E-02 ppm1 4.581 ppm2 8.465 CV 1
ASSI { 6093} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 114 and name HB3 )) 3.000 1.100 1.100 peak 6093 spectrum 1 weight 0.10000E+01 volume 0.36324E-02 ppm1 0.709 ppm2 2.245 CV 1
ASSI { 6094} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 114 and name HB2 )) 2.900 1.000 1.000 peak 6094 spectrum 1 weight 0.10000E+01 volume 0.28558E-02 ppm1 0.709 ppm2 2.525 CV 1
ASSI { 6205} ( segid " " and resid 116 and name HG1%) (( segid " " and resid 103 and name HA )) 2.900 2.900 3.100 peak 6205 spectrum 1 weight 0.10000E+01 volume 0.33087E-02 ppm1 0.746 ppm2 4.422 CV 1
ASSI { 6236} (( segid " " and resid 116 and name HB )) (( segid " " and resid 105 and name HN )) 3.000 1.100 1.100 peak 6236 spectrum 1 weight 0.10000E+01 volume 0.11785E-02 ppm1 1.681 ppm2 9.037 CV 1
ASSI { 7239} (( segid " " and resid 116 and name HB )) (( segid " " and resid 115 and name HA )) 4.100 2.100 1.900 peak 7239 spectrum 1 weight 0.10000E+01 volume 0.98439E-03 ppm1 1.677 ppm2 4.855 CV 1
ASSI { 7240} (( segid " " and resid 116 and name HB )) (( segid " " and resid 133 and name HA )) 3.600 1.600 1.600 peak 7240 spectrum 1 weight 0.10000E+01 volume 0.95021E-03 ppm1 1.677 ppm2 5.444 CV 1
ASSI { 7241} (( segid " " and resid 116 and name HB )) (( segid " " and resid 107 and name HE )) 3.400 1.400 1.400 peak 7241 spectrum 1 weight 0.10000E+01 volume 0.54545E-03 ppm1 1.677 ppm2 7.117 CV 1
ASSI { 7255} (( segid " " and resid 116 and name HB )) ( segid " " and resid 104 and name HB% ) 4.400 2.400 1.600 peak 7255 spectrum 1 weight 0.10000E+01 volume 0.48893E-03 ppm1 1.675 ppm2 1.112 CV 1
ASSI { 7889} ( segid " " and resid 116 and name HG2%) (( segid " " and resid 107 and name HN )) 3.600 1.600 1.600 peak 7889 spectrum 1 weight 0.10000E+01 volume 0.12844E-02 ppm1 0.728 ppm2 9.679 CV 1
ASSI { 935} (( segid " " and resid 116 and name HB )) (( segid " " and resid 116 and name HA )) 3.000 1.100 1.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 1.681 ppm2 4.564 CV 1
ASSI { 1522} (( segid " " and resid 117 and name HN )) (( segid " " and resid 118 and name HN )) 4.400 2.500 1.600 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.43632E-03 ppm1 8.448 ppm2 7.942 CV 1
ASSI { 1524} (( segid " " and resid 117 and name HN )) (( segid " " and resid 103 and name HE1 )) 4.300 2.300 1.700 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.44868E-03 ppm1 8.448 ppm2 6.727 CV 1
ASSI { 334} (( segid " " and resid 117 and name HN )) (( segid " " and resid 133 and name HA )) 3.400 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13071E-02 ppm1 8.448 ppm2 5.435 CV 1
ASSI { 335} (( segid " " and resid 117 and name HN )) (( segid " " and resid 132 and name HA )) 3.000 1.100 1.100 peak 335 spectrum 1 weight 0.10000E+01 volume 0.18727E-02 ppm1 8.448 ppm2 4.767 CV 1
ASSI { 338} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB2 )) 3.100 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.25733E-02 ppm1 8.448 ppm2 2.951 CV 1
ASSI { 339} (( segid " " and resid 117 and name HN )) (( segid " " and resid 117 and name HB3 )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.18984E-02 ppm1 8.448 ppm2 2.350 CV 1
ASSI { 4015} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 124 and name HB )) 3.400 1.400 1.400 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.12431E-02 ppm1 2.980 ppm2 3.713 CV 1
ASSI { 4588} (( segid " " and resid 117 and name HA )) ( segid " " and resid 142 and name HG1%) 3.900 1.900 1.900 peak 4588 spectrum 1 weight 0.10000E+01 volume 0.13785E-02 ppm1 4.807 ppm2 0.971 CV 1
ASSI { 4589} (( segid " " and resid 117 and name HA )) ( segid " " and resid 118 and name HG2%) 3.400 1.500 1.500 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.25396E-02 ppm1 4.807 ppm2 0.370 CV 1
ASSI { 4590} (( segid " " and resid 117 and name HA )) (( segid " " and resid 104 and name HA )) 3.200 1.300 1.300 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 4.806 ppm2 5.536 CV 1
ASSI { 4593} (( segid " " and resid 117 and name HA )) (( segid " " and resid 118 and name HN )) 2.300 0.600 0.600 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.53894E-02 ppm1 4.820 ppm2 7.939 CV 1
ASSI { 4594} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HN )) 2.900 1.000 1.000 peak 4594 spectrum 1 weight 0.10000E+01 volume 0.20732E-02 ppm1 4.820 ppm2 8.457 CV 1
ASSI { 4604} (( segid " " and resid 117 and name HA )) ( segid " " and resid 118 and name HG1%) 3.300 1.300 1.300 peak 4604 spectrum 1 weight 0.10000E+01 volume 0.14927E-02 ppm1 4.806 ppm2 0.575 CV 1
ASSI { 7005} (( segid " " and resid 117 and name HB3 )) ( segid " " and resid 118 and name HG2%) 4.700 2.800 1.300 peak 7005 spectrum 1 weight 0.10000E+01 volume 0.51304E-03 ppm1 2.374 ppm2 0.395 CV 1
ASSI { 7006} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 103 and name HE1 )) 4.500 2.500 1.500 peak 7006 spectrum 1 weight 0.10000E+01 volume 0.11389E-02 ppm1 2.374 ppm2 6.760 CV 1
ASSI { 7007} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 118 and name HN )) 4.300 2.400 1.700 peak 7007 spectrum 1 weight 0.10000E+01 volume 0.59546E-03 ppm1 2.374 ppm2 7.981 CV 1
ASSI { 7009} (( segid " " and resid 117 and name HB2 )) (( segid " " and resid 103 and name HE1 )) 4.000 2.000 2.000 peak 7009 spectrum 1 weight 0.10000E+01 volume 0.15322E-02 ppm1 2.980 ppm2 6.760 CV 1
ASSI { 942} (( segid " " and resid 117 and name HB3 )) (( segid " " and resid 117 and name HB2 )) 2.200 0.600 0.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.34090E-02 ppm1 2.374 ppm2 3.002 CV 1
ASSI { 948} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB2 )) 2.500 0.800 0.800 peak 948 spectrum 1 weight 0.10000E+01 volume 0.33538E-02 ppm1 4.806 ppm2 3.002 CV 1
ASSI { 949} (( segid " " and resid 117 and name HA )) (( segid " " and resid 117 and name HB3 )) 2.900 1.000 1.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.32864E-02 ppm1 4.805 ppm2 2.351 CV 1
ASSI { 1673} (( segid " " and resid 118 and name HN )) (( segid " " and resid 119 and name HA1 )) 3.100 1.200 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.39551E-02 ppm1 7.940 ppm2 4.246 CV 1
ASSI { 1689} (( segid " " and resid 118 and name HN )) (( segid " " and resid 118 and name HB )) 3.100 1.200 1.200 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.30568E-02 ppm1 7.927 ppm2 2.320 CV 1
ASSI { 4169} (( segid " " and resid 118 and name HB )) (( segid " " and resid 119 and name HA1 )) 3.700 1.700 1.700 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.16158E-02 ppm1 2.320 ppm2 4.257 CV 1
ASSI { 4290} (( segid " " and resid 118 and name HA )) ( segid " " and resid 116 and name HG1%) 3.400 1.400 1.400 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 4.527 ppm2 0.696 CV 1
ASSI { 4291} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HN )) 2.900 1.000 1.000 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.20455E-02 ppm1 4.540 ppm2 7.924 CV 1
ASSI { 4430} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 116 and name HB )) 3.400 1.400 1.400 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.24125E-02 ppm1 0.588 ppm2 1.688 CV 1
ASSI { 4431} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 105 and name HB3 )) 2.100 2.100 3.900 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 0.590 ppm2 1.596 CV 1
ASSI { 4433} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 104 and name HA )) 3.100 1.200 1.200 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.15120E-02 ppm1 0.591 ppm2 5.520 CV 1
ASSI { 4434} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 118 and name HN )) 2.800 1.000 1.000 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.32313E-02 ppm1 0.595 ppm2 7.937 CV 1
ASSI { 4436} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 105 and name HN )) 3.200 1.300 1.300 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.19105E-02 ppm1 0.595 ppm2 9.018 CV 1
ASSI { 4647} ( segid " " and resid 118 and name HG2%) ( segid " " and resid 104 and name HB% ) 3.300 1.300 1.300 peak 4647 spectrum 1 weight 0.10000E+01 volume 0.27924E-02 ppm1 0.367 ppm2 1.095 CV 1
ASSI { 4651} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 103 and name HB3 )) 3.700 1.700 1.700 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 0.367 ppm2 3.170 CV 1
ASSI { 4652} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 103 and name HA )) 2.800 0.900 0.900 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.28024E-02 ppm1 0.367 ppm2 4.407 CV 1
ASSI { 4654} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 104 and name HA )) 2.400 0.700 0.700 peak 4654 spectrum 1 weight 0.10000E+01 volume 0.43143E-02 ppm1 0.367 ppm2 5.538 CV 1
ASSI { 4655} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 103 and name HN )) 3.600 1.600 1.600 peak 4655 spectrum 1 weight 0.10000E+01 volume 0.92852E-03 ppm1 0.367 ppm2 7.574 CV 1
ASSI { 4656} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HN )) 2.500 0.800 0.800 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.76107E-02 ppm1 0.367 ppm2 7.947 CV 1
ASSI { 4657} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 104 and name HN )) 3.100 1.200 1.200 peak 4657 spectrum 1 weight 0.10000E+01 volume 0.18087E-02 ppm1 0.367 ppm2 8.426 CV 1
ASSI { 4658} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 105 and name HN )) 3.600 1.600 1.600 peak 4658 spectrum 1 weight 0.10000E+01 volume 0.19002E-02 ppm1 0.367 ppm2 9.038 CV 1
ASSI { 4659} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 105 and name HG2 )) 3.100 1.200 1.200 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.19286E-02 ppm1 0.366 ppm2 2.121 CV 1
ASSI { 6353} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 105 and name HG2 )) 2.700 0.900 0.900 peak 6353 spectrum 1 weight 0.10000E+01 volume 0.32155E-02 ppm1 0.592 ppm2 2.108 CV 1
ASSI { 6358} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 105 and name HG3 )) 3.400 1.500 1.500 peak 6358 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 0.592 ppm2 1.975 CV 1
ASSI { 6360} ( segid " " and resid 118 and name HG1%) ( segid " " and resid 116 and name HG1%) 2.000 0.500 0.500 peak 6360 spectrum 1 weight 0.10000E+01 volume 0.14836E-01 ppm1 0.590 ppm2 0.704 CV 1
ASSI { 6361} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 102 and name HG2 )) 3.800 1.800 1.800 peak 6361 spectrum 1 weight 0.10000E+01 volume 0.83946E-03 ppm1 0.590 ppm2 1.423 CV 1
ASSI { 6364} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 105 and name HG3 )) 2.300 2.300 3.700 peak 6364 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 0.367 ppm2 1.953 CV 1
ASSI { 7866} ( segid " " and resid 118 and name HG1%) (( segid " " and resid 119 and name HN )) 4.500 2.500 1.500 peak 7866 spectrum 1 weight 0.10000E+01 volume 0.68972E-03 ppm1 0.591 ppm2 8.646 CV 1
ASSI { 7949} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 120 and name HB3 )) 4.200 2.200 1.800 peak 7949 spectrum 1 weight 0.10000E+01 volume 0.55415E-03 ppm1 0.440 ppm2 2.938 CV 1
ASSI { 7953} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 7953 spectrum 1 weight 0.10000E+01 volume 0.16285E-02 ppm1 0.367 ppm2 8.657 CV 1
ASSI { 898} (( segid " " and resid 118 and name HN )) (( segid " " and resid 104 and name HA )) 3.000 1.100 1.100 peak 898 spectrum 1 weight 0.10000E+01 volume 0.18928E-02 ppm1 7.927 ppm2 5.513 CV 1
ASSI { 951} (( segid " " and resid 118 and name HA )) ( segid " " and resid 118 and name HG1%) 2.400 0.700 0.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.73578E-02 ppm1 4.529 ppm2 0.593 CV 1
ASSI { 952} (( segid " " and resid 118 and name HA )) (( segid " " and resid 118 and name HB )) 2.400 0.700 0.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.59565E-02 ppm1 4.524 ppm2 2.311 CV 1
ASSI { 955} (( segid " " and resid 118 and name HB )) ( segid " " and resid 118 and name HG1%) 2.200 0.600 0.600 peak 955 spectrum 1 weight 0.10000E+01 volume 0.92253E-02 ppm1 2.312 ppm2 0.594 CV 1
ASSI { 962} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HA )) 3.000 1.100 1.100 peak 962 spectrum 1 weight 0.10000E+01 volume 0.42582E-02 ppm1 0.371 ppm2 4.501 CV 1
ASSI { 963} ( segid " " and resid 118 and name HG2%) (( segid " " and resid 118 and name HB )) 2.200 0.600 0.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.89625E-02 ppm1 0.365 ppm2 2.309 CV 1
ASSI { 1249} (( segid " " and resid 119 and name HN )) (( segid " " and resid 117 and name HA )) 4.400 2.400 1.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.89014E-03 ppm1 8.611 ppm2 4.779 CV 1
ASSI { 1251} (( segid " " and resid 119 and name HN )) (( segid " " and resid 119 and name HA1 )) 2.600 0.800 0.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.25733E-02 ppm1 8.611 ppm2 4.234 CV 1
ASSI { 1253} (( segid " " and resid 119 and name HN )) (( segid " " and resid 120 and name HB2 )) 4.400 2.400 1.600 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.39397E-03 ppm1 8.611 ppm2 3.334 CV 1
ASSI { 1255} (( segid " " and resid 119 and name HN )) (( segid " " and resid 118 and name HB )) 3.900 1.900 1.900 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.92712E-03 ppm1 8.611 ppm2 2.322 CV 1
ASSI { 6963} (( segid " " and resid 119 and name HA2 )) (( segid " " and resid 119 and name HN )) 2.700 0.900 0.900 peak 6963 spectrum 1 weight 0.10000E+01 volume 0.34645E-02 ppm1 3.692 ppm2 8.640 CV 1
ASSI { 6964} (( segid " " and resid 119 and name HA2 )) (( segid " " and resid 120 and name HN )) 4.000 2.000 2.000 peak 6964 spectrum 1 weight 0.10000E+01 volume 0.16411E-02 ppm1 3.697 ppm2 9.235 CV 1
ASSI { 8304} (( segid " " and resid 119 and name HA1 )) (( segid " " and resid 120 and name HN )) 2.900 1.000 1.000 peak 8304 spectrum 1 weight 0.10000E+01 volume 0.14676E-02 ppm1 4.266 ppm2 9.236 CV 1
ASSI { 966} (( segid " " and resid 119 and name HA2 )) (( segid " " and resid 119 and name HA1 )) 2.000 0.500 0.500 peak 966 spectrum 1 weight 0.10000E+01 volume 0.90969E-02 ppm1 3.689 ppm2 4.261 CV 1
ASSI { 1354} (( segid " " and resid 120 and name HN )) (( segid " " and resid 119 and name HN )) 2.600 0.800 0.800 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.35935E-02 ppm1 9.207 ppm2 8.616 CV 1
ASSI { 1355} (( segid " " and resid 120 and name HN )) (( segid " " and resid 118 and name HN )) 3.800 1.800 1.800 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.96648E-03 ppm1 9.207 ppm2 7.957 CV 1
ASSI { 1359} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HA )) 3.100 1.200 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 9.207 ppm2 3.858 CV 1
ASSI { 1361} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB2 )) 3.500 1.600 1.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.10267E-02 ppm1 9.207 ppm2 3.357 CV 1
ASSI { 1362} (( segid " " and resid 120 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.100 1.200 1.200 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.70224E-03 ppm1 9.207 ppm2 2.906 CV 1
ASSI { 8214} (( segid " " and resid 120 and name HA )) (( segid " " and resid 121 and name HN )) 2.900 1.000 1.000 peak 8214 spectrum 1 weight 0.10000E+01 volume 0.13472E-02 ppm1 3.881 ppm2 8.022 CV 1
ASSI { 970} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB3 )) 3.300 1.400 1.400 peak 970 spectrum 1 weight 0.10000E+01 volume 0.95558E-03 ppm1 3.881 ppm2 2.941 CV 1
ASSI { 971} (( segid " " and resid 120 and name HA )) (( segid " " and resid 120 and name HB2 )) 2.700 0.900 0.900 peak 971 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 3.881 ppm2 3.359 CV 1
ASSI { 974} (( segid " " and resid 120 and name HB3 )) (( segid " " and resid 120 and name HB2 )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.11601E-02 ppm1 2.941 ppm2 3.370 CV 1
ASSI { 1003} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 121 and name HD2%) 2.000 0.500 0.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.21207E-01 ppm1 0.879 ppm2 0.660 CV 1
ASSI { 1005} ( segid " " and resid 121 and name HD1%) ( segid " " and resid 26 and name HG2%) 2.000 0.500 0.500 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.15905E-01 ppm1 0.877 ppm2 1.343 CV 1
ASSI { 1006} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HB3 )) 2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.96261E-02 ppm1 0.879 ppm2 1.692 CV 1
ASSI { 1532} (( segid " " and resid 121 and name HN )) (( segid " " and resid 122 and name HN )) 3.500 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.34337E-03 ppm1 8.000 ppm2 8.705 CV 1
ASSI { 1533} (( segid " " and resid 121 and name HN )) (( segid " " and resid 145 and name HN )) 3.800 1.800 1.800 peak 1533 spectrum 1 weight 0.10000E+01 volume 0.73944E-03 ppm1 8.000 ppm2 9.903 CV 1
ASSI { 4225} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 122 and name HN )) 3.200 1.300 1.300 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.36582E-02 ppm1 0.677 ppm2 8.668 CV 1
ASSI { 4227} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 98 and name HB )) 3.200 1.300 1.300 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.10429E-02 ppm1 0.677 ppm2 4.008 CV 1
ASSI { 6265} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 29 and name HB )) 2.700 0.900 0.900 peak 6265 spectrum 1 weight 0.10000E+01 volume 0.22095E-02 ppm1 0.677 ppm2 1.929 CV 1
ASSI { 7104} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 121 and name HN )) 2.900 1.000 1.000 peak 7104 spectrum 1 weight 0.10000E+01 volume 0.29823E-02 ppm1 1.707 ppm2 7.979 CV 1
ASSI { 7612} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 122 and name HA )) 3.300 1.400 1.400 peak 7612 spectrum 1 weight 0.10000E+01 volume 0.23774E-02 ppm1 0.677 ppm2 5.009 CV 1
ASSI { 7615} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 122 and name HB3 )) 4.000 2.000 2.000 peak 7615 spectrum 1 weight 0.10000E+01 volume 0.83954E-03 ppm1 0.677 ppm2 2.977 CV 1
ASSI { 7616} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 26 and name HN )) 2.200 2.200 3.800 peak 7616 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 0.677 ppm2 8.076 CV 1
ASSI { 7618} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 27 and name HN )) 3.400 1.500 1.500 peak 7618 spectrum 1 weight 0.10000E+01 volume 0.10073E-02 ppm1 0.677 ppm2 9.812 CV 1
ASSI { 7775} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 122 and name HA )) 3.900 1.900 1.900 peak 7775 spectrum 1 weight 0.10000E+01 volume 0.10619E-02 ppm1 0.880 ppm2 4.996 CV 1
ASSI { 7776} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 121 and name HN )) 3.500 1.500 1.500 peak 7776 spectrum 1 weight 0.10000E+01 volume 0.18875E-02 ppm1 0.880 ppm2 8.025 CV 1
ASSI { 7777} ( segid " " and resid 121 and name HD1%) (( segid " " and resid 122 and name HN )) 4.000 2.000 2.000 peak 7777 spectrum 1 weight 0.10000E+01 volume 0.13204E-02 ppm1 0.880 ppm2 8.660 CV 1
ASSI { 7824} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HN )) 2.700 0.900 0.900 peak 7824 spectrum 1 weight 0.10000E+01 volume 0.23320E-02 ppm1 4.215 ppm2 8.022 CV 1
ASSI { 979} (( segid " " and resid 121 and name HA )) ( segid " " and resid 121 and name HD2%) 3.600 1.700 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.19638E-02 ppm1 4.212 ppm2 0.658 CV 1
ASSI { 981} (( segid " " and resid 121 and name HA )) ( segid " " and resid 26 and name HG2%) 4.000 2.000 2.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.26397E-02 ppm1 4.209 ppm2 1.353 CV 1
ASSI { 983} (( segid " " and resid 121 and name HA )) (( segid " " and resid 121 and name HB3 )) 2.800 1.000 1.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.35355E-02 ppm1 4.215 ppm2 1.718 CV 1
ASSI { 993} (( segid " " and resid 121 and name HB3 )) ( segid " " and resid 26 and name HG2%) 4.600 2.600 1.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.96457E-03 ppm1 1.707 ppm2 1.350 CV 1
ASSI { 995} (( segid " " and resid 121 and name HB3 )) (( segid " " and resid 121 and name HB2 )) 2.100 0.500 0.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.37233E-02 ppm1 1.707 ppm2 1.763 CV 1
ASSI { 998} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 121 and name HB2 )) 2.600 0.800 0.800 peak 998 spectrum 1 weight 0.10000E+01 volume 0.56838E-02 ppm1 0.677 ppm2 1.752 CV 1
ASSI { 999} ( segid " " and resid 121 and name HD2%) (( segid " " and resid 121 and name HB3 )) 2.400 0.700 0.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.46700E-02 ppm1 0.677 ppm2 1.683 CV 1
ASSI { 1009} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB3 )) 2.900 1.000 1.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 4.981 ppm2 2.985 CV 1
ASSI { 1010} (( segid " " and resid 122 and name HA )) (( segid " " and resid 122 and name HB2 )) 2.600 0.800 0.800 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.28080E-02 ppm1 4.966 ppm2 3.345 CV 1
ASSI { 1016} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HB2 )) 2.300 0.600 0.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.21136E-02 ppm1 2.986 ppm2 3.355 CV 1
ASSI { 1228} (( segid " " and resid 122 and name HN )) (( segid " " and resid 123 and name HN )) 2.800 0.900 0.900 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.14356E-02 ppm1 8.683 ppm2 7.994 CV 1
ASSI { 1229} (( segid " " and resid 122 and name HN )) (( segid " " and resid 122 and name HA )) 3.200 1.300 1.300 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.99299E-03 ppm1 8.683 ppm2 4.963 CV 1
ASSI { 1233} (( segid " " and resid 122 and name HN )) (( segid " " and resid 121 and name HB3 )) 2.700 0.900 0.900 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 8.683 ppm2 1.697 CV 1
ASSI { 1234} (( segid " " and resid 122 and name HN )) (( segid " " and resid 146 and name HB2 )) 3.700 1.700 1.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.99057E-03 ppm1 8.683 ppm2 1.362 CV 1
ASSI { 4619} (( segid " " and resid 122 and name HA )) (( segid " " and resid 30 and name HA )) 3.500 3.500 2.500 peak 4619 spectrum 1 weight 0.10000E+01 volume 0.15962E-02 ppm1 4.967 ppm2 4.543 CV 1
ASSI { 4620} (( segid " " and resid 122 and name HA )) (( segid " " and resid 146 and name HB2 )) 4.200 2.300 1.800 peak 4620 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 4.963 ppm2 1.350 CV 1
ASSI { 7120} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 7120 spectrum 1 weight 0.10000E+01 volume 0.76977E-03 ppm1 3.373 ppm2 7.980 CV 1
ASSI { 7121} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.300 1.400 1.400 peak 7121 spectrum 1 weight 0.10000E+01 volume 0.12953E-02 ppm1 3.373 ppm2 8.546 CV 1
ASSI { 7122} (( segid " " and resid 122 and name HB2 )) (( segid " " and resid 122 and name HN )) 3.900 1.900 1.900 peak 7122 spectrum 1 weight 0.10000E+01 volume 0.11051E-02 ppm1 3.373 ppm2 8.701 CV 1
ASSI { 7123} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 123 and name HN )) 4.000 2.000 2.000 peak 7123 spectrum 1 weight 0.10000E+01 volume 0.52016E-03 ppm1 2.986 ppm2 8.018 CV 1
ASSI { 7125} (( segid " " and resid 122 and name HB3 )) (( segid " " and resid 122 and name HN )) 2.700 0.900 0.900 peak 7125 spectrum 1 weight 0.10000E+01 volume 0.11460E-02 ppm1 2.986 ppm2 8.726 CV 1
ASSI { 8218} (( segid " " and resid 122 and name HA )) ( segid " " and resid 29 and name HG2%) 3.300 1.400 1.400 peak 8218 spectrum 1 weight 0.10000E+01 volume 0.92610E-03 ppm1 4.979 ppm2 0.927 CV 1
ASSI { 1018} (( segid " " and resid 123 and name HA2 )) (( segid " " and resid 123 and name HA1 )) 2.400 0.700 0.700 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.33493E-02 ppm1 3.627 ppm2 4.234 CV 1
ASSI { 1271} (( segid " " and resid 123 and name HN )) (( segid " " and resid 124 and name HN )) 3.800 1.800 1.800 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.14132E-02 ppm1 8.009 ppm2 8.947 CV 1
ASSI { 1272} (( segid " " and resid 123 and name HN )) (( segid " " and resid 122 and name HA )) 3.300 1.400 1.400 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.10066E-02 ppm1 8.009 ppm2 4.950 CV 1
ASSI { 1273} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA1 )) 2.600 0.900 0.900 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.27017E-02 ppm1 8.009 ppm2 4.218 CV 1
ASSI { 1274} (( segid " " and resid 123 and name HN )) (( segid " " and resid 123 and name HA2 )) 3.000 1.100 1.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.25781E-02 ppm1 8.009 ppm2 3.620 CV 1
ASSI { 1276} (( segid " " and resid 123 and name HN )) (( segid " " and resid 120 and name HB3 )) 3.100 1.200 1.200 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.88774E-03 ppm1 8.009 ppm2 2.930 CV 1
ASSI { 1544} (( segid " " and resid 123 and name HN )) (( segid " " and resid 121 and name HB3 )) 4.600 2.700 1.400 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.36659E-03 ppm1 8.009 ppm2 1.712 CV 1
ASSI { 1022} (( segid " " and resid 124 and name HA )) ( segid " " and resid 124 and name HG2%) 2.900 1.100 1.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 4.799 ppm2 0.845 CV 1
ASSI { 1023} (( segid " " and resid 124 and name HA )) (( segid " " and resid 124 and name HB )) 3.300 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.10278E-02 ppm1 4.799 ppm2 3.750 CV 1
ASSI { 1028} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 124 and name HB )) 2.200 0.600 0.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.79763E-02 ppm1 0.842 ppm2 3.748 CV 1
ASSI { 1691} (( segid " " and resid 124 and name HN )) (( segid " " and resid 124 and name HA )) 3.300 1.400 1.400 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.81302E-03 ppm1 8.962 ppm2 4.801 CV 1
ASSI { 1692} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA1 )) 2.700 0.900 0.900 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 8.962 ppm2 4.228 CV 1
ASSI { 1693} (( segid " " and resid 124 and name HN )) (( segid " " and resid 123 and name HA2 )) 2.700 0.900 0.900 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.35157E-02 ppm1 8.962 ppm2 3.656 CV 1
ASSI { 4143} (( segid " " and resid 124 and name HB )) ( segid " " and resid 131 and name HG2%) 3.900 1.900 1.900 peak 4143 spectrum 1 weight 0.10000E+01 volume 0.11676E-02 ppm1 3.736 ppm2 0.436 CV 1
ASSI { 4144} (( segid " " and resid 124 and name HB )) (( segid " " and resid 117 and name HB3 )) 3.900 1.900 1.900 peak 4144 spectrum 1 weight 0.10000E+01 volume 0.17841E-02 ppm1 3.737 ppm2 2.358 CV 1
ASSI { 4188} (( segid " " and resid 124 and name HA )) (( segid " " and resid 103 and name HE1 )) 3.100 1.200 1.200 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.30098E-02 ppm1 4.799 ppm2 6.767 CV 1
ASSI { 4437} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 103 and name HE1 )) 2.100 0.600 0.600 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.73676E-02 ppm1 0.842 ppm2 6.772 CV 1
ASSI { 6277} (( segid " " and resid 124 and name HB )) ( segid " " and resid 104 and name HB% ) 4.300 2.300 1.700 peak 6277 spectrum 1 weight 0.10000E+01 volume 0.86765E-03 ppm1 3.736 ppm2 1.079 CV 1
ASSI { 7331} (( segid " " and resid 124 and name HB )) (( segid " " and resid 103 and name HE1 )) 3.800 1.900 1.900 peak 7331 spectrum 1 weight 0.10000E+01 volume 0.22806E-02 ppm1 3.733 ppm2 6.737 CV 1
ASSI { 7332} (( segid " " and resid 124 and name HB )) (( segid " " and resid 124 and name HN )) 3.200 1.200 1.200 peak 7332 spectrum 1 weight 0.10000E+01 volume 0.10911E-02 ppm1 3.733 ppm2 8.995 CV 1
ASSI { 738} (( segid " " and resid 124 and name HN )) ( segid " " and resid 124 and name HG2%) 3.800 1.800 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.13119E-02 ppm1 9.012 ppm2 0.864 CV 1
ASSI { 7868} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 103 and name HD1 )) 3.100 1.200 1.200 peak 7868 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 0.842 ppm2 10.892 CV 1
ASSI { 8220} ( segid " " and resid 124 and name HG2%) (( segid " " and resid 125 and name HA )) 3.000 1.200 1.200 peak 8220 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 0.842 ppm2 5.323 CV 1
ASSI { 1032} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB2 )) 3.200 1.300 1.300 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.94387E-03 ppm1 5.345 ppm2 3.116 CV 1
ASSI { 1033} (( segid " " and resid 125 and name HA )) (( segid " " and resid 125 and name HB3 )) 3.100 1.200 1.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.12269E-02 ppm1 5.345 ppm2 2.372 CV 1
ASSI { 1035} (( segid " " and resid 125 and name HB3 )) (( segid " " and resid 125 and name HB2 )) 2.400 0.700 0.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.18138E-02 ppm1 2.372 ppm2 3.129 CV 1
ASSI { 1547} (( segid " " and resid 125 and name HN )) (( segid " " and resid 103 and name HD1 )) 4.700 2.800 1.300 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.42596E-03 ppm1 8.237 ppm2 10.857 CV 1
ASSI { 1548} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HB )) 4.400 2.500 1.600 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.36553E-03 ppm1 8.237 ppm2 3.725 CV 1
ASSI { 1642} (( segid " " and resid 125 and name HN )) ( segid " " and resid 131 and name HG2%) 4.000 2.000 2.000 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.47102E-03 ppm1 8.237 ppm2 0.453 CV 1
ASSI { 1643} (( segid " " and resid 125 and name HN )) (( segid " " and resid 144 and name HN )) 4.100 2.100 1.900 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.38417E-03 ppm1 8.237 ppm2 8.516 CV 1
ASSI { 4066} (( segid " " and resid 125 and name HB3 )) ( segid " " and resid 125 and name HD% ) 3.000 1.100 1.100 peak 4066 spectrum 1 weight 0.10000E+01 volume 0.13130E-02 ppm1 2.372 ppm2 6.786 CV 1
ASSI { 4534} (( segid " " and resid 125 and name HA )) (( segid " " and resid 130 and name HA )) 2.800 1.000 1.000 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.19763E-02 ppm1 5.345 ppm2 4.040 CV 1
ASSI { 4536} (( segid " " and resid 125 and name HA )) (( segid " " and resid 126 and name HN )) 2.500 0.800 0.800 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.40751E-02 ppm1 5.345 ppm2 8.963 CV 1
ASSI { 527} (( segid " " and resid 125 and name HN )) (( segid " " and resid 143 and name HN )) 3.300 1.400 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.89014E-03 ppm1 8.237 ppm2 9.532 CV 1
ASSI { 530} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HA )) 3.100 1.200 1.200 peak 530 spectrum 1 weight 0.10000E+01 volume 0.98415E-03 ppm1 8.237 ppm2 5.299 CV 1
ASSI { 531} (( segid " " and resid 125 and name HN )) (( segid " " and resid 124 and name HA )) 2.500 0.800 0.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.29372E-02 ppm1 8.237 ppm2 4.794 CV 1
ASSI { 534} (( segid " " and resid 125 and name HN )) (( segid " " and resid 125 and name HB3 )) 3.700 1.700 1.700 peak 534 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 8.237 ppm2 2.344 CV 1
ASSI { 536} (( segid " " and resid 125 and name HN )) ( segid " " and resid 124 and name HG2%) 2.700 0.900 0.900 peak 536 spectrum 1 weight 0.10000E+01 volume 0.34200E-02 ppm1 8.237 ppm2 0.831 CV 1
ASSI { 6389} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 125 and name HB2 )) 2.800 1.000 1.000 peak 6389 spectrum 1 weight 0.10000E+01 volume 0.23320E-02 ppm1 6.787 ppm2 3.120 CV 1
ASSI { 6406} ( segid " " and resid 125 and name HD% ) ( segid " " and resid 125 and name HE% ) 2.200 0.600 0.600 peak 6406 spectrum 1 weight 0.10000E+01 volume 0.10059E-01 ppm1 6.787 ppm2 6.940 CV 1
ASSI { 6409} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 129 and name HA )) 3.400 1.500 1.500 peak 6409 spectrum 1 weight 0.10000E+01 volume 0.96120E-03 ppm1 6.962 ppm2 5.084 CV 1
ASSI { 6412} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 130 and name HD3 )) 3.300 1.300 1.300 peak 6412 spectrum 1 weight 0.10000E+01 volume 0.88236E-03 ppm1 6.962 ppm2 3.862 CV 1
ASSI { 6418} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 124 and name HA )) 3.500 1.600 1.600 peak 6418 spectrum 1 weight 0.10000E+01 volume 0.10759E-02 ppm1 6.787 ppm2 4.790 CV 1
ASSI { 6485} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 130 and name HB2 )) 4.800 2.900 1.200 peak 6485 spectrum 1 weight 0.10000E+01 volume 0.38192E-03 ppm1 6.962 ppm2 1.710 CV 1
ASSI { 6486} ( segid " " and resid 125 and name HE% ) (( segid " " and resid 130 and name HB3 )) 3.800 1.800 1.800 peak 6486 spectrum 1 weight 0.10000E+01 volume 0.59989E-03 ppm1 6.962 ppm2 1.616 CV 1
ASSI { 7656} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 130 and name HD3 )) 3.300 1.300 1.300 peak 7656 spectrum 1 weight 0.10000E+01 volume 0.10670E-02 ppm1 6.787 ppm2 3.888 CV 1
ASSI { 7657} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 130 and name HA )) 3.600 1.600 1.600 peak 7657 spectrum 1 weight 0.10000E+01 volume 0.11038E-02 ppm1 6.787 ppm2 4.028 CV 1
ASSI { 7658} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 129 and name HA )) 3.300 1.400 1.400 peak 7658 spectrum 1 weight 0.10000E+01 volume 0.10860E-02 ppm1 6.787 ppm2 5.091 CV 1
ASSI { 7659} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 125 and name HA )) 3.200 1.300 1.300 peak 7659 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 6.787 ppm2 5.313 CV 1
ASSI { 7664} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 130 and name HB3 )) 3.500 1.500 1.500 peak 7664 spectrum 1 weight 0.10000E+01 volume 0.73657E-03 ppm1 6.787 ppm2 1.656 CV 1
ASSI { 7667} ( segid " " and resid 125 and name HD% ) (( segid " " and resid 34 and name HZ )) 3.600 1.700 1.700 peak 7667 spectrum 1 weight 0.10000E+01 volume 0.61265E-03 ppm1 6.787 ppm2 6.470 CV 1
ASSI { 7904} (( segid " " and resid 125 and name HA )) ( segid " " and resid 131 and name HG2%) 4.100 2.100 1.900 peak 7904 spectrum 1 weight 0.10000E+01 volume 0.12018E-02 ppm1 5.345 ppm2 0.464 CV 1
ASSI { 1043} (( segid " " and resid 126 and name HB )) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.17453E-02 ppm1 1.734 ppm2 4.938 CV 1
ASSI { 1046} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 126 and name HA )) 2.800 1.000 1.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.22567E-02 ppm1 0.717 ppm2 4.908 CV 1
ASSI { 1047} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 126 and name HB )) 2.400 0.700 0.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.49012E-02 ppm1 0.716 ppm2 1.707 CV 1
ASSI { 1049} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HA )) 2.200 0.600 0.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.76422E-02 ppm1 0.750 ppm2 4.938 CV 1
ASSI { 1050} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HB )) 1.900 0.500 0.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.18854E-01 ppm1 0.750 ppm2 1.738 CV 1
ASSI { 1657} (( segid " " and resid 126 and name HN )) (( segid " " and resid 130 and name HA )) 3.100 1.200 1.200 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.12211E-02 ppm1 8.913 ppm2 4.029 CV 1
ASSI { 4148} (( segid " " and resid 126 and name HB )) (( segid " " and resid 126 and name HN )) 2.600 0.800 0.800 peak 4148 spectrum 1 weight 0.10000E+01 volume 0.30435E-02 ppm1 1.734 ppm2 8.921 CV 1
ASSI { 4269} (( segid " " and resid 126 and name HA )) (( segid " " and resid 143 and name HN )) 3.100 1.200 1.200 peak 4269 spectrum 1 weight 0.10000E+01 volume 0.12520E-02 ppm1 4.944 ppm2 9.532 CV 1
ASSI { 4271} (( segid " " and resid 126 and name HA )) (( segid " " and resid 126 and name HN )) 3.000 1.100 1.100 peak 4271 spectrum 1 weight 0.10000E+01 volume 0.12791E-02 ppm1 4.936 ppm2 8.934 CV 1
ASSI { 4359} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 126 and name HN )) 3.500 1.600 1.600 peak 4359 spectrum 1 weight 0.10000E+01 volume 0.12611E-02 ppm1 0.717 ppm2 8.945 CV 1
ASSI { 4444} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 126 and name HN )) 2.900 1.100 1.100 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.26649E-02 ppm1 0.750 ppm2 8.933 CV 1
ASSI { 6109} (( segid " " and resid 126 and name HA )) (( segid " " and resid 142 and name HA )) 2.700 0.900 0.900 peak 6109 spectrum 1 weight 0.10000E+01 volume 0.16495E-02 ppm1 4.929 ppm2 5.225 CV 1
ASSI { 7378} (( segid " " and resid 126 and name HB )) (( segid " " and resid 127 and name HD22)) 3.800 1.800 1.800 peak 7378 spectrum 1 weight 0.10000E+01 volume 0.96286E-03 ppm1 1.728 ppm2 7.461 CV 1
ASSI { 7782} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 115 and name HN )) 3.500 1.600 1.600 peak 7782 spectrum 1 weight 0.10000E+01 volume 0.11051E-02 ppm1 0.717 ppm2 8.977 CV 1
ASSI { 7783} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 127 and name HN )) 3.700 1.700 1.700 peak 7783 spectrum 1 weight 0.10000E+01 volume 0.65396E-03 ppm1 0.717 ppm2 10.048 CV 1
ASSI { 7855} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 128 and name HN )) 3.700 1.700 1.700 peak 7855 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 0.750 ppm2 9.265 CV 1
ASSI { 7856} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HN )) 3.400 1.500 1.500 peak 7856 spectrum 1 weight 0.10000E+01 volume 0.26977E-02 ppm1 0.750 ppm2 10.035 CV 1
ASSI { 7860} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 127 and name HD22)) 3.300 1.400 1.400 peak 7860 spectrum 1 weight 0.10000E+01 volume 0.20830E-02 ppm1 0.750 ppm2 7.466 CV 1
ASSI { 7862} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 103 and name HE1 )) 3.100 1.200 1.200 peak 7862 spectrum 1 weight 0.10000E+01 volume 0.12646E-02 ppm1 0.750 ppm2 6.781 CV 1
ASSI { 8222} ( segid " " and resid 126 and name HG1%) (( segid " " and resid 142 and name HA )) 3.500 1.600 1.600 peak 8222 spectrum 1 weight 0.10000E+01 volume 0.96661E-03 ppm1 0.717 ppm2 5.262 CV 1
ASSI { 8223} ( segid " " and resid 126 and name HG2%) (( segid " " and resid 117 and name HB2 )) 3.100 3.100 2.900 peak 8223 spectrum 1 weight 0.10000E+01 volume 0.32155E-02 ppm1 0.750 ppm2 3.024 CV 1
ASSI { 8226} ( segid " " and resid 126 and name HG2%) ( segid " " and resid 115 and name HG2%) 2.900 1.100 1.100 peak 8226 spectrum 1 weight 0.10000E+01 volume 0.21067E-02 ppm1 0.750 ppm2 0.089 CV 1
ASSI { 1054} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB3 )) 2.600 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.31138E-02 ppm1 4.366 ppm2 2.803 CV 1
ASSI { 1055} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HB2 )) 3.000 1.100 1.100 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.37845E-02 ppm1 4.366 ppm2 2.943 CV 1
ASSI { 1060} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HB3 )) 1.800 0.400 0.400 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.13982E-01 ppm1 2.935 ppm2 2.795 CV 1
ASSI { 1551} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HN )) 4.300 2.300 1.700 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.31959E-03 ppm1 10.014 ppm2 8.931 CV 1
ASSI { 1552} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HD21)) 3.500 1.500 1.500 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.45496E-03 ppm1 10.014 ppm2 7.751 CV 1
ASSI { 1782} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HD22)) 2.300 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.30239E-02 ppm1 7.755 ppm2 7.425 CV 1
ASSI { 1787} (( segid " " and resid 127 and name HD21)) (( segid " " and resid 127 and name HB2 )) 3.200 1.300 1.300 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.16726E-02 ppm1 7.755 ppm2 2.915 CV 1
ASSI { 1789} (( segid " " and resid 127 and name HD22)) (( segid " " and resid 140 and name HA )) 4.000 2.000 2.000 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.69813E-03 ppm1 7.428 ppm2 4.801 CV 1
ASSI { 1793} (( segid " " and resid 127 and name HD22)) ( segid " " and resid 126 and name HG1%) 3.200 1.300 1.300 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.83873E-03 ppm1 7.428 ppm2 0.704 CV 1
ASSI { 200} (( segid " " and resid 127 and name HN )) (( segid " " and resid 142 and name HA )) 3.300 1.400 1.400 peak 200 spectrum 1 weight 0.10000E+01 volume 0.91023E-03 ppm1 10.014 ppm2 5.203 CV 1
ASSI { 201} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HA )) 2.400 0.700 0.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.29122E-02 ppm1 10.014 ppm2 4.908 CV 1
ASSI { 202} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HA )) 2.600 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.25611E-02 ppm1 10.014 ppm2 4.344 CV 1
ASSI { 204} (( segid " " and resid 127 and name HN )) (( segid " " and resid 127 and name HB3 )) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.99862E-03 ppm1 10.014 ppm2 2.835 CV 1
ASSI { 207} (( segid " " and resid 127 and name HN )) (( segid " " and resid 126 and name HB )) 3.900 1.900 1.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.74666E-03 ppm1 10.014 ppm2 1.706 CV 1
ASSI { 7207} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 129 and name HN )) 2.700 0.900 0.900 peak 7207 spectrum 1 weight 0.10000E+01 volume 0.39584E-02 ppm1 2.937 ppm2 7.697 CV 1
ASSI { 7211} (( segid " " and resid 127 and name HB3 )) (( segid " " and resid 127 and name HD21)) 2.700 0.900 0.900 peak 7211 spectrum 1 weight 0.10000E+01 volume 0.23853E-02 ppm1 2.816 ppm2 7.788 CV 1
ASSI { 7213} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HD22)) 3.600 1.600 1.600 peak 7213 spectrum 1 weight 0.10000E+01 volume 0.14352E-02 ppm1 2.935 ppm2 7.463 CV 1
ASSI { 7215} (( segid " " and resid 127 and name HB2 )) (( segid " " and resid 127 and name HN )) 4.000 2.000 2.000 peak 7215 spectrum 1 weight 0.10000E+01 volume 0.59290E-03 ppm1 2.935 ppm2 10.026 CV 1
ASSI { 7930} (( segid " " and resid 127 and name HA )) (( segid " " and resid 127 and name HD21)) 2.900 1.000 1.000 peak 7930 spectrum 1 weight 0.10000E+01 volume 0.17223E-02 ppm1 4.366 ppm2 7.756 CV 1
ASSI { 1343} (( segid " " and resid 128 and name HN )) (( segid " " and resid 127 and name HN )) 3.100 1.200 1.200 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 9.257 ppm2 10.030 CV 1
ASSI { 1344} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HN )) 3.100 1.200 1.200 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 9.257 ppm2 7.744 CV 1
ASSI { 1345} (( segid " " and resid 128 and name HN )) (( segid " " and resid 126 and name HA )) 4.100 2.100 1.900 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.53457E-03 ppm1 9.257 ppm2 4.918 CV 1
ASSI { 1350} (( segid " " and resid 128 and name HN )) (( segid " " and resid 128 and name HG2 )) 3.200 1.300 1.300 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 9.257 ppm2 1.200 CV 1
ASSI { 1553} (( segid " " and resid 128 and name HN )) (( segid " " and resid 129 and name HG3 )) 4.500 2.500 1.500 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.48051E-03 ppm1 9.257 ppm2 2.285 CV 1
ASSI { 1898} (( segid " " and resid 128 and name HE )) ( segid " " and resid 125 and name HE% ) 2.400 2.400 3.600 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.86605E-03 ppm1 7.426 ppm2 6.917 CV 1
ASSI { 1903} (( segid " " and resid 128 and name HE )) (( segid " " and resid 128 and name HB3 )) 3.000 1.100 1.100 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 7.426 ppm2 1.342 CV 1
ASSI { 1904} (( segid " " and resid 128 and name HE )) (( segid " " and resid 128 and name HG2 )) 3.000 1.100 1.100 peak 1904 spectrum 1 weight 0.10000E+01 volume 0.20125E-02 ppm1 7.426 ppm2 1.188 CV 1
ASSI { 1906} (( segid " " and resid 128 and name HE )) (( segid " " and resid 128 and name HN )) 2.800 2.800 3.200 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.32062E-03 ppm1 7.426 ppm2 9.260 CV 1
ASSI { 8040} (( segid " " and resid 128 and name HA )) ( segid " " and resid 125 and name HE% ) 3.600 1.600 1.600 peak 8040 spectrum 1 weight 0.10000E+01 volume 0.90177E-03 ppm1 3.003 ppm2 6.934 CV 1
ASSI { 8041} (( segid " " and resid 128 and name HA )) (( segid " " and resid 129 and name HN )) 3.200 1.300 1.300 peak 8041 spectrum 1 weight 0.10000E+01 volume 0.12717E-02 ppm1 3.003 ppm2 7.745 CV 1
ASSI { 1113} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HG2 )) 3.200 1.300 1.300 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.23320E-02 ppm1 5.089 ppm2 2.351 CV 1
ASSI { 1116} (( segid " " and resid 129 and name HA )) (( segid " " and resid 129 and name HB3 )) 2.900 1.000 1.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.20019E-02 ppm1 5.089 ppm2 1.843 CV 1
ASSI { 1120} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HB2 )) 1.800 0.400 0.400 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.15506E-01 ppm1 1.848 ppm2 2.069 CV 1
ASSI { 1122} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HA )) 2.900 1.000 1.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.18038E-02 ppm1 2.052 ppm2 5.090 CV 1
ASSI { 1130} (( segid " " and resid 129 and name HG3 )) (( segid " " and resid 129 and name HB2 )) 2.100 0.500 0.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.11936E-01 ppm1 2.238 ppm2 2.058 CV 1
ASSI { 1131} (( segid " " and resid 129 and name HG3 )) (( segid " " and resid 129 and name HB3 )) 2.500 0.800 0.800 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.10348E-01 ppm1 2.238 ppm2 1.842 CV 1
ASSI { 1134} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 129 and name HG3 )) 1.600 0.300 0.600 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.32694E-01 ppm1 2.338 ppm2 2.254 CV 1
ASSI { 1135} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 129 and name HB2 )) 2.600 0.800 0.800 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.96386E-02 ppm1 2.337 ppm2 2.058 CV 1
ASSI { 1555} (( segid " " and resid 129 and name HN )) (( segid " " and resid 127 and name HN )) 4.000 2.000 2.000 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.36097E-03 ppm1 7.728 ppm2 10.024 CV 1
ASSI { 1557} (( segid " " and resid 129 and name HN )) ( segid " " and resid 125 and name HD% ) 3.400 1.400 1.400 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.89819E-03 ppm1 7.741 ppm2 6.779 CV 1
ASSI { 1667} (( segid " " and resid 129 and name HN )) (( segid " " and resid 126 and name HN )) 2.800 1.000 1.000 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.22374E-02 ppm1 7.741 ppm2 8.905 CV 1
ASSI { 175} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HG2 )) 2.100 0.600 0.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.11842E-01 ppm1 1.847 ppm2 2.330 CV 1
ASSI { 4101} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 129 and name HN )) 2.600 0.800 0.800 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.29072E-02 ppm1 2.340 ppm2 7.758 CV 1
ASSI { 4102} (( segid " " and resid 129 and name HG2 )) ( segid " " and resid 131 and name HG1%) 4.000 2.000 2.000 peak 4102 spectrum 1 weight 0.10000E+01 volume 0.94198E-03 ppm1 2.337 ppm2 0.808 CV 1
ASSI { 4103} (( segid " " and resid 129 and name HG3 )) ( segid " " and resid 131 and name HG1%) 2.900 1.000 1.000 peak 4103 spectrum 1 weight 0.10000E+01 volume 0.17401E-02 ppm1 2.226 ppm2 0.851 CV 1
ASSI { 4105} (( segid " " and resid 129 and name HG3 )) (( segid " " and resid 130 and name HD3 )) 3.700 1.700 1.700 peak 4105 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 2.226 ppm2 3.897 CV 1
ASSI { 4106} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 130 and name HD3 )) 3.800 1.800 1.800 peak 4106 spectrum 1 weight 0.10000E+01 volume 0.20792E-02 ppm1 2.336 ppm2 3.897 CV 1
ASSI { 4160} (( segid " " and resid 129 and name HB3 )) (( segid " " and resid 129 and name HN )) 2.800 1.000 1.000 peak 4160 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 1.848 ppm2 7.722 CV 1
ASSI { 4686} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HD3 )) 2.500 0.800 0.800 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.36027E-02 ppm1 5.090 ppm2 3.862 CV 1
ASSI { 6096} (( segid " " and resid 129 and name HA )) (( segid " " and resid 130 and name HD2 )) 2.500 0.800 0.800 peak 6096 spectrum 1 weight 0.10000E+01 volume 0.46857E-02 ppm1 5.090 ppm2 3.944 CV 1
ASSI { 7274} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 131 and name HN )) 4.200 2.200 1.800 peak 7274 spectrum 1 weight 0.10000E+01 volume 0.63241E-03 ppm1 2.340 ppm2 8.352 CV 1
ASSI { 7277} (( segid " " and resid 129 and name HG2 )) (( segid " " and resid 127 and name HB2 )) 3.000 1.200 1.200 peak 7277 spectrum 1 weight 0.10000E+01 volume 0.87391E-03 ppm1 2.340 ppm2 2.906 CV 1
ASSI { 7278} (( segid " " and resid 129 and name HG3 )) (( segid " " and resid 127 and name HB2 )) 3.900 1.900 1.900 peak 7278 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 2.238 ppm2 2.932 CV 1
ASSI { 7427} (( segid " " and resid 129 and name HB2 )) (( segid " " and resid 129 and name HN )) 3.800 1.800 1.800 peak 7427 spectrum 1 weight 0.10000E+01 volume 0.13617E-02 ppm1 2.052 ppm2 7.757 CV 1
ASSI { 885} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HA )) 2.900 1.100 1.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.16670E-02 ppm1 7.741 ppm2 5.064 CV 1
ASSI { 889} (( segid " " and resid 129 and name HN )) (( segid " " and resid 129 and name HG3 )) 3.200 1.300 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.28874E-02 ppm1 7.741 ppm2 2.257 CV 1
ASSI { 1063} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB3 )) 2.600 0.800 0.800 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.23676E-02 ppm1 4.064 ppm2 1.619 CV 1
ASSI { 1064} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HB2 )) 2.900 1.000 1.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.33380E-02 ppm1 4.064 ppm2 1.723 CV 1
ASSI { 1067} (( segid " " and resid 130 and name HA )) (( segid " " and resid 130 and name HD3 )) 2.700 0.900 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.31265E-02 ppm1 4.064 ppm2 3.876 CV 1
ASSI { 1070} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HB3 )) 2.000 0.500 0.500 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.71937E-02 ppm1 1.735 ppm2 1.610 CV 1
ASSI { 1072} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG3 )) 3.000 1.100 1.100 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.32985E-02 ppm1 1.734 ppm2 2.099 CV 1
ASSI { 1073} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 130 and name HG2 )) 2.600 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.28202E-02 ppm1 1.732 ppm2 2.214 CV 1
ASSI { 1080} (( segid " " and resid 130 and name HB3 )) (( segid " " and resid 130 and name HG2 )) 3.400 1.400 1.400 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18316E-02 ppm1 1.625 ppm2 2.212 CV 1
ASSI { 1086} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HD3 )) 3.200 1.300 1.300 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.22569E-02 ppm1 2.213 ppm2 3.871 CV 1
ASSI { 1088} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 130 and name HG3 )) 2.000 0.500 0.500 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.63518E-02 ppm1 2.213 ppm2 2.051 CV 1
ASSI { 1091} (( segid " " and resid 130 and name HG3 )) (( segid " " and resid 130 and name HB3 )) 2.500 0.800 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.30495E-02 ppm1 2.059 ppm2 1.615 CV 1
ASSI { 1095} (( segid " " and resid 130 and name HG3 )) (( segid " " and resid 130 and name HD3 )) 2.400 0.700 0.700 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.37945E-02 ppm1 2.059 ppm2 3.868 CV 1
ASSI { 1096} (( segid " " and resid 130 and name HG3 )) (( segid " " and resid 130 and name HD2 )) 2.900 1.000 1.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.43755E-02 ppm1 2.059 ppm2 3.948 CV 1
ASSI { 1098} (( segid " " and resid 130 and name HD3 )) (( segid " " and resid 130 and name HD2 )) 2.000 0.500 0.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.64724E-02 ppm1 3.856 ppm2 3.952 CV 1
ASSI { 1107} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 130 and name HG2 )) 2.600 0.800 0.800 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 3.952 ppm2 2.208 CV 1
ASSI { 4212} (( segid " " and resid 130 and name HG3 )) ( segid " " and resid 125 and name HE% ) 3.600 1.600 1.600 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.80227E-03 ppm1 2.059 ppm2 6.960 CV 1
ASSI { 7430} (( segid " " and resid 130 and name HB3 )) (( segid " " and resid 131 and name HN )) 3.900 1.900 1.900 peak 7430 spectrum 1 weight 0.10000E+01 volume 0.11658E-02 ppm1 1.614 ppm2 8.345 CV 1
ASSI { 7431} (( segid " " and resid 130 and name HB2 )) (( segid " " and resid 131 and name HN )) 3.400 1.400 1.400 peak 7431 spectrum 1 weight 0.10000E+01 volume 0.15648E-02 ppm1 1.728 ppm2 8.345 CV 1
ASSI { 7551} (( segid " " and resid 130 and name HG2 )) (( segid " " and resid 129 and name HA )) 4.500 2.600 1.500 peak 7551 spectrum 1 weight 0.10000E+01 volume 0.10466E-02 ppm1 2.213 ppm2 5.102 CV 1
ASSI { 7553} (( segid " " and resid 130 and name HG3 )) (( segid " " and resid 129 and name HA )) 4.200 2.200 1.800 peak 7553 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 2.059 ppm2 5.089 CV 1
ASSI { 8228} (( segid " " and resid 130 and name HD2 )) (( segid " " and resid 129 and name HB3 )) 3.800 1.800 1.800 peak 8228 spectrum 1 weight 0.10000E+01 volume 0.18342E-02 ppm1 3.952 ppm2 1.853 CV 1
ASSI { 8230} (( segid " " and resid 130 and name HD2 )) ( segid " " and resid 125 and name HE% ) 4.100 2.100 1.900 peak 8230 spectrum 1 weight 0.10000E+01 volume 0.10263E-02 ppm1 3.952 ppm2 6.950 CV 1
ASSI { 1138} (( segid " " and resid 131 and name HA )) (( segid " " and resid 131 and name HB )) 2.500 0.800 0.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.44560E-02 ppm1 4.697 ppm2 1.886 CV 1
ASSI { 1143} (( segid " " and resid 131 and name HB )) ( segid " " and resid 131 and name HG1%) 2.300 0.700 0.700 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.76207E-02 ppm1 1.897 ppm2 0.829 CV 1
ASSI { 1145} ( segid " " and resid 131 and name HG1%) (( segid " " and resid 131 and name HA )) 2.300 0.700 0.700 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.89388E-02 ppm1 0.821 ppm2 4.678 CV 1
ASSI { 1148} ( segid " " and resid 131 and name HG1%) ( segid " " and resid 131 and name HG2%) 2.100 0.500 0.500 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.18194E-01 ppm1 0.819 ppm2 0.458 CV 1
ASSI { 1149} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 131 and name HA )) 3.000 1.100 1.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.38993E-02 ppm1 0.440 ppm2 4.700 CV 1
ASSI { 1150} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 131 and name HB )) 2.200 0.600 0.600 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.83511E-02 ppm1 0.440 ppm2 1.880 CV 1
ASSI { 1371} (( segid " " and resid 131 and name HN )) (( segid " " and resid 126 and name HN )) 3.200 1.300 1.300 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.16710E-02 ppm1 8.310 ppm2 8.924 CV 1
ASSI { 1372} (( segid " " and resid 131 and name HN )) (( segid " " and resid 103 and name HE1 )) 4.000 2.000 2.000 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.51119E-03 ppm1 8.310 ppm2 6.753 CV 1
ASSI { 1374} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HA )) 2.900 1.100 1.100 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.17064E-02 ppm1 8.310 ppm2 4.668 CV 1
ASSI { 1375} (( segid " " and resid 131 and name HN )) (( segid " " and resid 130 and name HA )) 2.200 0.600 0.600 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.64031E-02 ppm1 8.310 ppm2 4.024 CV 1
ASSI { 1378} (( segid " " and resid 131 and name HN )) ( segid " " and resid 134 and name HB% ) 5.000 3.200 1.000 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.52357E-03 ppm1 8.310 ppm2 1.209 CV 1
ASSI { 1380} (( segid " " and resid 131 and name HN )) ( segid " " and resid 131 and name HG2%) 2.300 0.600 0.600 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.55192E-02 ppm1 8.310 ppm2 0.434 CV 1
ASSI { 2154} (( segid " " and resid 131 and name HN )) (( segid " " and resid 131 and name HB )) 3.600 1.700 1.700 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.11818E-02 ppm1 8.310 ppm2 1.850 CV 1
ASSI { 4418} ( segid " " and resid 131 and name HG1%) (( segid " " and resid 126 and name HN )) 2.800 0.900 0.900 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.39881E-02 ppm1 0.821 ppm2 8.952 CV 1
ASSI { 4639} ( segid " " and resid 131 and name HG2%) ( segid " " and resid 115 and name HG2%) 3.100 1.200 1.200 peak 4639 spectrum 1 weight 0.10000E+01 volume 0.16919E-02 ppm1 0.442 ppm2 0.070 CV 1
ASSI { 4641} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 126 and name HB )) 2.500 0.800 0.800 peak 4641 spectrum 1 weight 0.10000E+01 volume 0.35159E-02 ppm1 0.442 ppm2 1.707 CV 1
ASSI { 4643} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 130 and name HA )) 3.700 1.700 1.700 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.19180E-02 ppm1 0.442 ppm2 4.048 CV 1
ASSI { 6283} (( segid " " and resid 131 and name HA )) ( segid " " and resid 134 and name HB% ) 4.300 2.300 1.700 peak 6283 spectrum 1 weight 0.10000E+01 volume 0.99752E-03 ppm1 4.695 ppm2 1.215 CV 1
ASSI { 7816} ( segid " " and resid 131 and name HG1%) (( segid " " and resid 133 and name HN )) 3.400 1.500 1.500 peak 7816 spectrum 1 weight 0.10000E+01 volume 0.19154E-02 ppm1 0.819 ppm2 7.651 CV 1
ASSI { 7817} ( segid " " and resid 131 and name HG1%) (( segid " " and resid 125 and name HA )) 2.100 2.100 3.900 peak 7817 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 0.819 ppm2 5.343 CV 1
ASSI { 7947} ( segid " " and resid 131 and name HG2%) (( segid " " and resid 134 and name HN )) 3.000 1.100 1.100 peak 7947 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 0.445 ppm2 8.764 CV 1
ASSI { 1153} (( segid " " and resid 132 and name HB3 )) (( segid " " and resid 132 and name HA )) 2.600 0.800 0.800 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.42457E-02 ppm1 2.626 ppm2 4.779 CV 1
ASSI { 1156} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HB3 )) 1.900 0.400 0.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.14808E-01 ppm1 2.761 ppm2 2.630 CV 1
ASSI { 1158} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 132 and name HA )) 2.600 0.900 0.900 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.59209E-02 ppm1 2.761 ppm2 4.781 CV 1
ASSI { 1364} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HA )) 2.500 0.800 0.800 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.52051E-02 ppm1 8.448 ppm2 4.665 CV 1
ASSI { 1367} (( segid " " and resid 132 and name HN )) (( segid " " and resid 131 and name HB )) 2.400 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.33332E-02 ppm1 8.448 ppm2 1.857 CV 1
ASSI { 1370} (( segid " " and resid 132 and name HN )) ( segid " " and resid 131 and name HG2%) 3.400 1.500 1.500 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.16582E-02 ppm1 8.448 ppm2 0.431 CV 1
ASSI { 1560} (( segid " " and resid 132 and name HN )) (( segid " " and resid 133 and name HA )) 4.300 2.400 1.700 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.41824E-03 ppm1 8.448 ppm2 5.391 CV 1
ASSI { 4546} (( segid " " and resid 132 and name HA )) (( segid " " and resid 117 and name HB2 )) 3.800 1.800 1.800 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.15162E-02 ppm1 4.768 ppm2 2.976 CV 1
ASSI { 7115} (( segid " " and resid 132 and name HB2 )) (( segid " " and resid 133 and name HN )) 2.600 0.800 0.800 peak 7115 spectrum 1 weight 0.10000E+01 volume 0.42373E-02 ppm1 2.761 ppm2 7.652 CV 1
ASSI { 1165} (( segid " " and resid 133 and name HB2 )) (( segid " " and resid 133 and name HB3 )) 1.500 0.300 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.43794E-01 ppm1 3.741 ppm2 3.765 CV 1
ASSI { 1237} (( segid " " and resid 133 and name HN )) (( segid " " and resid 132 and name HN )) 2.300 0.600 0.600 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.72088E-02 ppm1 7.616 ppm2 8.442 CV 1
ASSI { 1238} (( segid " " and resid 133 and name HN )) (( segid " " and resid 134 and name HN )) 3.700 1.700 1.700 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.84035E-03 ppm1 7.616 ppm2 8.721 CV 1
ASSI { 1239} (( segid " " and resid 133 and name HN )) (( segid " " and resid 133 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.20736E-02 ppm1 7.616 ppm2 5.399 CV 1
ASSI { 1240} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HA )) 3.700 1.700 1.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.32923E-02 ppm1 7.616 ppm2 4.684 CV 1
ASSI { 1243} (( segid " " and resid 133 and name HN )) (( segid " " and resid 131 and name HB )) 2.900 1.000 1.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.35895E-02 ppm1 7.616 ppm2 1.854 CV 1
ASSI { 1244} (( segid " " and resid 133 and name HN )) ( segid " " and resid 134 and name HB% ) 3.600 1.600 1.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.89095E-03 ppm1 7.616 ppm2 1.205 CV 1
ASSI { 1246} (( segid " " and resid 133 and name HN )) ( segid " " and resid 131 and name HG2%) 3.200 1.300 1.300 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 7.616 ppm2 0.445 CV 1
ASSI { 4515} (( segid " " and resid 133 and name HA )) (( segid " " and resid 116 and name HA )) 2.600 0.800 0.800 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.36692E-02 ppm1 5.431 ppm2 4.570 CV 1
ASSI { 4517} (( segid " " and resid 133 and name HA )) ( segid " " and resid 131 and name HG2%) 3.400 1.400 1.400 peak 4517 spectrum 1 weight 0.10000E+01 volume 0.79667E-03 ppm1 5.436 ppm2 0.438 CV 1
ASSI { 4519} (( segid " " and resid 133 and name HA )) (( segid " " and resid 107 and name HN )) 1.900 1.900 4.100 peak 4519 spectrum 1 weight 0.10000E+01 volume 0.34446E-02 ppm1 5.420 ppm2 9.683 CV 1
ASSI { 7490} (( segid " " and resid 133 and name HB3 )) (( segid " " and resid 117 and name HN )) 3.100 1.200 1.200 peak 7490 spectrum 1 weight 0.10000E+01 volume 0.13976E-02 ppm1 3.717 ppm2 8.439 CV 1
ASSI { 7901} (( segid " " and resid 133 and name HA )) (( segid " " and resid 115 and name HA )) 3.400 1.400 1.400 peak 7901 spectrum 1 weight 0.10000E+01 volume 0.14407E-02 ppm1 5.420 ppm2 4.875 CV 1
ASSI { 1168} (( segid " " and resid 134 and name HA )) ( segid " " and resid 134 and name HB% ) 2.300 0.600 0.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.10160E-01 ppm1 4.576 ppm2 1.239 CV 1
ASSI { 4383} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 115 and name HN )) 3.300 1.300 1.300 peak 4383 spectrum 1 weight 0.10000E+01 volume 0.20632E-02 ppm1 1.239 ppm2 9.011 CV 1
ASSI { 4387} ( segid " " and resid 134 and name HB% ) (( segid " " and resid 131 and name HB )) 2.500 0.800 0.800 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.60495E-02 ppm1 1.238 ppm2 1.866 CV 1
ASSI { 4389} ( segid " " and resid 134 and name HB% ) ( segid " " and resid 131 and name HG2%) 2.300 0.700 0.700 peak 4389 spectrum 1 weight 0.10000E+01 volume 0.97397E-02 ppm1 1.225 ppm2 0.459 CV 1
ASSI { 444} (( segid " " and resid 134 and name HN )) (( segid " " and resid 115 and name HN )) 2.600 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.24246E-02 ppm1 8.723 ppm2 9.009 CV 1
ASSI { 446} (( segid " " and resid 134 and name HN )) (( segid " " and resid 135 and name HN )) 3.700 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 8.723 ppm2 8.276 CV 1
ASSI { 448} (( segid " " and resid 134 and name HN )) (( segid " " and resid 133 and name HA )) 2.300 0.700 0.700 peak 448 spectrum 1 weight 0.10000E+01 volume 0.49657E-02 ppm1 8.723 ppm2 5.431 CV 1
ASSI { 6287} (( segid " " and resid 134 and name HA )) ( segid " " and resid 131 and name HG2%) 4.000 2.000 2.000 peak 6287 spectrum 1 weight 0.10000E+01 volume 0.77522E-03 ppm1 4.576 ppm2 0.422 CV 1
ASSI { 7978} (( segid " " and resid 134 and name HA )) (( segid " " and resid 135 and name HN )) 2.100 0.600 0.600 peak 7978 spectrum 1 weight 0.10000E+01 volume 0.10721E-01 ppm1 4.591 ppm2 8.290 CV 1
ASSI { 1481} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 135 and name HB )) 2.100 0.500 0.500 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.17154E-01 ppm1 0.901 ppm2 1.879 CV 1
ASSI { 1718} (( segid " " and resid 135 and name HN )) (( segid " " and resid 135 and name HB )) 2.300 0.600 0.600 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.78516E-02 ppm1 8.271 ppm2 1.827 CV 1
ASSI { 1719} (( segid " " and resid 135 and name HN )) ( segid " " and resid 134 and name HB% ) 3.000 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.50534E-02 ppm1 8.271 ppm2 1.203 CV 1
ASSI { 6955} (( segid " " and resid 135 and name HA )) ( segid " " and resid 135 and name HG2%) 2.200 0.600 0.600 peak 6955 spectrum 1 weight 0.10000E+01 volume 0.12062E-01 ppm1 4.091 ppm2 0.862 CV 1
ASSI { 8088} ( segid " " and resid 135 and name HG1%) (( segid " " and resid 114 and name HA )) 3.200 1.200 1.200 peak 8088 spectrum 1 weight 0.10000E+01 volume 0.38775E-02 ppm1 0.854 ppm2 5.550 CV 1
ASSI { 8290} (( segid " " and resid 135 and name HA )) (( segid " " and resid 135 and name HN )) 2.000 2.000 4.000 peak 8290 spectrum 1 weight 0.10000E+01 volume 0.14470E-01 ppm1 4.111 ppm2 8.285 CV 1
ASSI { 1170} (( segid " " and resid 136 and name HA )) (( segid " " and resid 136 and name HB3 )) 3.000 1.100 1.100 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.17834E-02 ppm1 4.335 ppm2 0.009 CV 1
ASSI { 1175} (( segid " " and resid 136 and name HB3 )) (( segid " " and resid 136 and name HB2 )) 2.200 0.600 0.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.32569E-02 ppm1 0.056 ppm2 0.606 CV 1
ASSI { 1180} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HG )) 2.800 1.000 1.000 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.16970E-02 ppm1 0.640 ppm2 0.363 CV 1
ASSI { 1182} (( segid " " and resid 136 and name HG )) (( segid " " and resid 136 and name HA )) 2.700 0.900 0.900 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.21086E-02 ppm1 0.348 ppm2 4.346 CV 1
ASSI { 1185} (( segid " " and resid 136 and name HG )) (( segid " " and resid 136 and name HB3 )) 2.400 0.700 0.700 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.52885E-02 ppm1 0.348 ppm2 0.040 CV 1
ASSI { 1564} (( segid " " and resid 136 and name HN )) (( segid " " and resid 113 and name HB2 )) 3.700 1.700 1.700 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.42444E-03 ppm1 8.403 ppm2 2.892 CV 1
ASSI { 1565} (( segid " " and resid 136 and name HN )) (( segid " " and resid 134 and name HA )) 2.900 2.900 3.100 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 8.403 ppm2 4.593 CV 1
ASSI { 1566} (( segid " " and resid 136 and name HN )) (( segid " " and resid 113 and name HN )) 3.600 1.700 1.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.45278E-03 ppm1 8.403 ppm2 9.642 CV 1
ASSI { 223} (( segid " " and resid 136 and name HN )) (( segid " " and resid 137 and name HN )) 3.500 1.500 1.500 peak 223 spectrum 1 weight 0.10000E+01 volume 0.16791E-02 ppm1 8.403 ppm2 9.030 CV 1
ASSI { 224} (( segid " " and resid 136 and name HN )) (( segid " " and resid 114 and name HA )) 3.000 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.21088E-02 ppm1 8.403 ppm2 5.534 CV 1
ASSI { 225} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HA )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12284E-02 ppm1 8.403 ppm2 4.307 CV 1
ASSI { 226} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HA )) 2.300 0.700 0.700 peak 226 spectrum 1 weight 0.10000E+01 volume 0.45448E-02 ppm1 8.403 ppm2 4.086 CV 1
ASSI { 227} (( segid " " and resid 136 and name HN )) (( segid " " and resid 113 and name HB3 )) 3.800 1.800 1.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.66303E-03 ppm1 8.403 ppm2 2.491 CV 1
ASSI { 229} (( segid " " and resid 136 and name HN )) (( segid " " and resid 135 and name HB )) 3.600 1.600 1.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.99138E-03 ppm1 8.403 ppm2 1.829 CV 1
ASSI { 230} (( segid " " and resid 136 and name HN )) (( segid " " and resid 63 and name HG )) 3.200 3.200 2.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.25323E-02 ppm1 8.403 ppm2 1.313 CV 1
ASSI { 231} (( segid " " and resid 136 and name HN )) ( segid " " and resid 135 and name HG2%) 2.800 1.000 1.000 peak 231 spectrum 1 weight 0.10000E+01 volume 0.41246E-02 ppm1 8.403 ppm2 0.847 CV 1
ASSI { 234} (( segid " " and resid 136 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.600 1.700 1.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.14083E-02 ppm1 8.403 ppm2 0.013 CV 1
ASSI { 4030} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HN )) 2.900 1.000 1.000 peak 4030 spectrum 1 weight 0.10000E+01 volume 0.10747E-02 ppm1 0.640 ppm2 8.422 CV 1
ASSI { 4231} (( segid " " and resid 136 and name HG )) (( segid " " and resid 63 and name HG )) 2.200 0.600 0.600 peak 4231 spectrum 1 weight 0.10000E+01 volume 0.71641E-02 ppm1 0.348 ppm2 1.314 CV 1
ASSI { 4232} (( segid " " and resid 136 and name HG )) (( segid " " and resid 63 and name HB2 )) 3.500 1.500 1.500 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.24446E-02 ppm1 0.348 ppm2 1.585 CV 1
ASSI { 4233} (( segid " " and resid 136 and name HG )) (( segid " " and resid 151 and name HB3 )) 3.400 3.400 2.600 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.15457E-02 ppm1 0.348 ppm2 2.511 CV 1
ASSI { 4234} (( segid " " and resid 136 and name HG )) (( segid " " and resid 113 and name HB2 )) 3.000 1.100 1.100 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 0.348 ppm2 2.910 CV 1
ASSI { 4235} (( segid " " and resid 136 and name HG )) (( segid " " and resid 153 and name HB )) 3.300 3.300 2.700 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.80901E-03 ppm1 0.348 ppm2 4.065 CV 1
ASSI { 4236} (( segid " " and resid 136 and name HG )) (( segid " " and resid 114 and name HA )) 3.700 1.700 1.700 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.65332E-03 ppm1 0.348 ppm2 5.532 CV 1
ASSI { 4239} (( segid " " and resid 136 and name HG )) ( segid " " and resid 151 and name HD% ) 2.400 0.700 0.700 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.58281E-02 ppm1 0.348 ppm2 6.858 CV 1
ASSI { 4240} (( segid " " and resid 136 and name HG )) (( segid " " and resid 136 and name HN )) 3.200 1.200 1.200 peak 4240 spectrum 1 weight 0.10000E+01 volume 0.26482E-02 ppm1 0.348 ppm2 8.440 CV 1
ASSI { 4241} (( segid " " and resid 136 and name HG )) (( segid " " and resid 137 and name HN )) 3.000 1.100 1.100 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.27766E-02 ppm1 0.348 ppm2 9.052 CV 1
ASSI { 4243} (( segid " " and resid 136 and name HG )) ( segid " " and resid 153 and name HG2%) 3.400 3.400 2.600 peak 4243 spectrum 1 weight 0.10000E+01 volume 0.15639E-02 ppm1 0.348 ppm2 1.086 CV 1
ASSI { 4625} (( segid " " and resid 136 and name HA )) (( segid " " and resid 63 and name HG )) 3.700 1.700 1.700 peak 4625 spectrum 1 weight 0.10000E+01 volume 0.97354E-03 ppm1 4.335 ppm2 1.333 CV 1
ASSI { 7031} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 137 and name HN )) 4.100 2.100 1.900 peak 7031 spectrum 1 weight 0.10000E+01 volume 0.78142E-03 ppm1 0.640 ppm2 9.086 CV 1
ASSI { 7585} (( segid " " and resid 136 and name HG )) ( segid " " and resid 113 and name HD% ) 3.600 1.600 1.600 peak 7585 spectrum 1 weight 0.10000E+01 volume 0.94250E-03 ppm1 0.348 ppm2 7.177 CV 1
ASSI { 7613} (( segid " " and resid 136 and name HG )) (( segid " " and resid 137 and name HA )) 4.000 2.000 2.000 peak 7613 spectrum 1 weight 0.10000E+01 volume 0.60455E-03 ppm1 0.348 ppm2 4.701 CV 1
ASSI { 7614} (( segid " " and resid 136 and name HG )) (( segid " " and resid 62 and name HA )) 3.400 1.400 1.400 peak 7614 spectrum 1 weight 0.10000E+01 volume 0.92727E-03 ppm1 0.348 ppm2 4.948 CV 1
ASSI { 8234} (( segid " " and resid 136 and name HB2 )) (( segid " " and resid 136 and name HA )) 3.300 1.400 1.400 peak 8234 spectrum 1 weight 0.10000E+01 volume 0.85989E-03 ppm1 0.640 ppm2 4.347 CV 1
ASSI { 1190} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 137 and name HA )) 2.000 0.500 0.500 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.18641E-01 ppm1 1.389 ppm2 4.704 CV 1
ASSI { 1568} (( segid " " and resid 137 and name HN )) ( segid " " and resid 151 and name HD% ) 3.600 1.600 1.600 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.37077E-03 ppm1 9.063 ppm2 6.883 CV 1
ASSI { 1569} (( segid " " and resid 137 and name HN )) ( segid " " and resid 152 and name HD1%) 3.700 1.700 1.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.76008E-03 ppm1 9.063 ppm2 0.810 CV 1
ASSI { 384} (( segid " " and resid 137 and name HN )) (( segid " " and resid 137 and name HA )) 3.000 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 9.063 ppm2 4.691 CV 1
ASSI { 385} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HA )) 2.400 0.700 0.700 peak 385 spectrum 1 weight 0.10000E+01 volume 0.46621E-02 ppm1 9.063 ppm2 4.315 CV 1
ASSI { 386} (( segid " " and resid 137 and name HN )) (( segid " " and resid 140 and name HB2 )) 3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.69501E-03 ppm1 9.063 ppm2 2.785 CV 1
ASSI { 387} (( segid " " and resid 137 and name HN )) (( segid " " and resid 140 and name HB3 )) 3.900 1.900 1.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.56519E-03 ppm1 9.063 ppm2 2.321 CV 1
ASSI { 391} (( segid " " and resid 137 and name HN )) (( segid " " and resid 136 and name HB3 )) 3.200 1.300 1.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 9.063 ppm2 0.014 CV 1
ASSI { 4380} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 137 and name HN )) 2.100 0.600 0.600 peak 4380 spectrum 1 weight 0.10000E+01 volume 0.14206E-01 ppm1 1.404 ppm2 9.096 CV 1
ASSI { 6284} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 138 and name HB3 )) 3.400 1.500 1.500 peak 6284 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 1.404 ppm2 2.717 CV 1
ASSI { 6285} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 138 and name HB2 )) 4.000 2.000 2.000 peak 6285 spectrum 1 weight 0.10000E+01 volume 0.13625E-02 ppm1 1.388 ppm2 2.933 CV 1
ASSI { 6489} ( segid " " and resid 137 and name HB% ) ( segid " " and resid 151 and name HD% ) 3.800 1.800 1.800 peak 6489 spectrum 1 weight 0.10000E+01 volume 0.10174E-02 ppm1 1.404 ppm2 6.868 CV 1
ASSI { 7785} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 138 and name HN )) 2.400 0.700 0.700 peak 7785 spectrum 1 weight 0.10000E+01 volume 0.10016E-01 ppm1 1.404 ppm2 8.780 CV 1
ASSI { 7786} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 140 and name HN )) 3.300 1.400 1.400 peak 7786 spectrum 1 weight 0.10000E+01 volume 0.25948E-02 ppm1 1.403 ppm2 8.622 CV 1
ASSI { 8026} ( segid " " and resid 137 and name HB% ) (( segid " " and resid 140 and name HB3 )) 4.000 2.000 2.000 peak 8026 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 1.403 ppm2 2.303 CV 1
ASSI { 1026} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HN )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.71670E-03 ppm1 8.750 ppm2 9.053 CV 1
ASSI { 1027} (( segid " " and resid 138 and name HN )) (( segid " " and resid 139 and name HN )) 4.300 2.300 1.700 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.54766E-03 ppm1 8.750 ppm2 10.078 CV 1
ASSI { 1028} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HD21)) 3.600 1.600 1.600 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.99138E-03 ppm1 8.750 ppm2 7.503 CV 1
ASSI { 1029} (( segid " " and resid 138 and name HN )) ( segid " " and resid 151 and name HD% ) 3.500 1.600 1.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.82507E-03 ppm1 8.750 ppm2 6.832 CV 1
ASSI { 1032} (( segid " " and resid 138 and name HN )) (( segid " " and resid 137 and name HA )) 2.300 0.700 0.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.54774E-02 ppm1 8.750 ppm2 4.697 CV 1
ASSI { 1034} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB2 )) 2.800 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.41831E-02 ppm1 8.750 ppm2 2.916 CV 1
ASSI { 1035} (( segid " " and resid 138 and name HN )) (( segid " " and resid 138 and name HB3 )) 2.400 0.700 0.700 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.40892E-02 ppm1 8.750 ppm2 2.684 CV 1
ASSI { 1037} (( segid " " and resid 138 and name HN )) ( segid " " and resid 153 and name HG2%) 3.200 1.300 1.300 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.14517E-02 ppm1 8.750 ppm2 1.098 CV 1
ASSI { 1195} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB2 )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.32866E-02 ppm1 4.415 ppm2 2.925 CV 1
ASSI { 1196} (( segid " " and resid 138 and name HA )) (( segid " " and resid 138 and name HB3 )) 3.000 1.100 1.100 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.26936E-02 ppm1 4.416 ppm2 2.703 CV 1
ASSI { 1198} (( segid " " and resid 138 and name HB3 )) (( segid " " and resid 138 and name HB2 )) 2.200 0.600 0.600 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.42985E-02 ppm1 2.706 ppm2 2.929 CV 1
ASSI { 1770} (( segid " " and resid 138 and name HD21)) (( segid " " and resid 138 and name HB3 )) 2.600 0.900 0.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.20414E-02 ppm1 7.514 ppm2 2.689 CV 1
ASSI { 1773} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HB3 )) 3.900 1.900 1.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.12051E-02 ppm1 6.711 ppm2 2.689 CV 1
ASSI { 1775} (( segid " " and resid 138 and name HD21)) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 1775 spectrum 1 weight 0.10000E+01 volume 0.68263E-03 ppm1 7.514 ppm2 0.774 CV 1
ASSI { 1779} (( segid " " and resid 138 and name HD22)) (( segid " " and resid 138 and name HD21)) 2.000 0.500 0.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.74425E-02 ppm1 6.711 ppm2 7.516 CV 1
ASSI { 4525} (( segid " " and resid 138 and name HA )) ( segid " " and resid 151 and name HD% ) 3.100 1.200 1.200 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 4.429 ppm2 6.862 CV 1
ASSI { 4526} (( segid " " and resid 138 and name HA )) (( segid " " and resid 139 and name HN )) 2.500 0.800 0.800 peak 4526 spectrum 1 weight 0.10000E+01 volume 0.33181E-02 ppm1 4.429 ppm2 10.087 CV 1
ASSI { 4533} (( segid " " and resid 138 and name HA )) (( segid " " and resid 152 and name HA )) 2.900 1.100 1.100 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.15929E-02 ppm1 4.429 ppm2 4.998 CV 1
ASSI { 7141} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HD22)) 4.200 2.200 1.800 peak 7141 spectrum 1 weight 0.10000E+01 volume 0.85870E-03 ppm1 2.936 ppm2 6.743 CV 1
ASSI { 7142} (( segid " " and resid 138 and name HB2 )) (( segid " " and resid 138 and name HD21)) 3.600 1.700 1.700 peak 7142 spectrum 1 weight 0.10000E+01 volume 0.11119E-02 ppm1 2.936 ppm2 7.545 CV 1
ASSI { 7148} (( segid " " and resid 138 and name HB2 )) ( segid " " and resid 153 and name HG2%) 3.500 1.500 1.500 peak 7148 spectrum 1 weight 0.10000E+01 volume 0.91067E-03 ppm1 2.936 ppm2 1.116 CV 1
ASSI { 1054} (( segid " " and resid 139 and name HN )) ( segid " " and resid 151 and name HD% ) 3.300 1.400 1.400 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.73220E-03 ppm1 10.068 ppm2 6.848 CV 1
ASSI { 1055} (( segid " " and resid 139 and name HN )) (( segid " " and resid 152 and name HA )) 3.700 1.700 1.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.74562E-03 ppm1 10.068 ppm2 4.997 CV 1
ASSI { 1057} (( segid " " and resid 139 and name HN )) (( segid " " and resid 139 and name HA2 )) 3.200 1.300 1.300 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.18430E-02 ppm1 10.068 ppm2 3.396 CV 1
ASSI { 1058} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB2 )) 4.400 2.400 1.600 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 10.068 ppm2 2.921 CV 1
ASSI { 1059} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HB3 )) 4.600 2.600 1.400 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.55571E-03 ppm1 10.068 ppm2 2.672 CV 1
ASSI { 1203} (( segid " " and resid 139 and name HA2 )) (( segid " " and resid 139 and name HA1 )) 2.200 0.600 0.600 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.51167E-02 ppm1 3.411 ppm2 4.430 CV 1
ASSI { 1572} (( segid " " and resid 139 and name HN )) (( segid " " and resid 138 and name HD21)) 4.400 2.400 1.600 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.26657E-03 ppm1 10.068 ppm2 7.508 CV 1
ASSI { 4006} (( segid " " and resid 139 and name HA1 )) ( segid " " and resid 152 and name HD1%) 3.400 1.400 1.400 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.14334E-02 ppm1 4.427 ppm2 0.846 CV 1
ASSI { 4008} (( segid " " and resid 139 and name HA1 )) (( segid " " and resid 140 and name HN )) 3.700 1.700 1.700 peak 4008 spectrum 1 weight 0.10000E+01 volume 0.76174E-03 ppm1 4.427 ppm2 8.592 CV 1
ASSI { 6947} (( segid " " and resid 139 and name HA1 )) (( segid " " and resid 139 and name HN )) 3.000 1.100 1.100 peak 6947 spectrum 1 weight 0.10000E+01 volume 0.12360E-02 ppm1 4.427 ppm2 10.085 CV 1
ASSI { 1208} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HB2 )) 2.400 0.700 0.700 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.24466E-02 ppm1 2.333 ppm2 2.780 CV 1
ASSI { 1212} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 140 and name HA )) 3.300 1.300 1.300 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.98645E-03 ppm1 2.810 ppm2 4.809 CV 1
ASSI { 1573} (( segid " " and resid 140 and name HN )) (( segid " " and resid 127 and name HD22)) 4.400 2.400 1.600 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.51625E-03 ppm1 8.578 ppm2 7.456 CV 1
ASSI { 1574} (( segid " " and resid 140 and name HN )) (( segid " " and resid 137 and name HN )) 3.500 1.500 1.500 peak 1574 spectrum 1 weight 0.10000E+01 volume 0.97691E-03 ppm1 8.578 ppm2 9.070 CV 1
ASSI { 4043} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HN )) 3.900 1.900 1.900 peak 4043 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 2.330 ppm2 8.582 CV 1
ASSI { 4543} (( segid " " and resid 140 and name HA )) (( segid " " and resid 140 and name HN )) 2.500 0.800 0.800 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.48359E-02 ppm1 4.810 ppm2 8.604 CV 1
ASSI { 539} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HN )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.34119E-02 ppm1 8.578 ppm2 10.071 CV 1
ASSI { 541} (( segid " " and resid 140 and name HN )) ( segid " " and resid 151 and name HD% ) 3.000 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16092E-02 ppm1 8.578 ppm2 6.856 CV 1
ASSI { 544} (( segid " " and resid 140 and name HN )) (( segid " " and resid 139 and name HA2 )) 3.000 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.18285E-02 ppm1 8.578 ppm2 3.386 CV 1
ASSI { 545} (( segid " " and resid 140 and name HN )) (( segid " " and resid 140 and name HB2 )) 2.300 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.44339E-02 ppm1 8.578 ppm2 2.779 CV 1
ASSI { 549} (( segid " " and resid 140 and name HN )) ( segid " " and resid 152 and name HD2%) 3.500 1.600 1.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.16630E-02 ppm1 8.578 ppm2 0.680 CV 1
ASSI { 7062} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 141 and name HN )) 3.400 1.500 1.500 peak 7062 spectrum 1 weight 0.10000E+01 volume 0.93103E-03 ppm1 2.330 ppm2 8.237 CV 1
ASSI { 7063} (( segid " " and resid 140 and name HB3 )) (( segid " " and resid 140 and name HA )) 3.400 1.400 1.400 peak 7063 spectrum 1 weight 0.10000E+01 volume 0.80278E-03 ppm1 2.330 ppm2 4.796 CV 1
ASSI { 7075} (( segid " " and resid 140 and name HB3 )) ( segid " " and resid 150 and name HG2%) 3.900 1.900 1.900 peak 7075 spectrum 1 weight 0.10000E+01 volume 0.66384E-03 ppm1 2.335 ppm2 0.896 CV 1
ASSI { 8235} (( segid " " and resid 140 and name HB2 )) (( segid " " and resid 141 and name HN )) 3.800 1.800 1.800 peak 8235 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 2.802 ppm2 8.243 CV 1
ASSI { 1221} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HG2 )) 2.700 0.900 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.27333E-02 ppm1 1.973 ppm2 2.397 CV 1
ASSI { 1225} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HG2 )) 2.500 0.800 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.55178E-02 ppm1 2.052 ppm2 2.388 CV 1
ASSI { 1228} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name HA )) 3.300 1.300 1.300 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.17376E-02 ppm1 2.032 ppm2 5.264 CV 1
ASSI { 1231} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name HB3 )) 2.100 0.600 0.600 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.13982E-01 ppm1 2.032 ppm2 1.963 CV 1
ASSI { 1232} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HA )) 3.300 1.400 1.400 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.18850E-02 ppm1 2.390 ppm2 5.264 CV 1
ASSI { 1234} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HG3 )) 1.800 0.400 0.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.13921E-01 ppm1 2.375 ppm2 2.042 CV 1
ASSI { 4083} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.13310E-02 ppm1 2.390 ppm2 9.715 CV 1
ASSI { 4084} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 149 and name HN )) 4.600 2.600 1.400 peak 4084 spectrum 1 weight 0.10000E+01 volume 0.38933E-03 ppm1 2.032 ppm2 9.830 CV 1
ASSI { 4579} (( segid " " and resid 141 and name HA )) (( segid " " and resid 142 and name HN )) 2.200 0.600 0.600 peak 4579 spectrum 1 weight 0.10000E+01 volume 0.57491E-02 ppm1 5.273 ppm2 9.700 CV 1
ASSI { 7183} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 150 and name HA )) 4.200 2.300 1.800 peak 7183 spectrum 1 weight 0.10000E+01 volume 0.79763E-03 ppm1 2.390 ppm2 5.066 CV 1
ASSI { 7184} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 150 and name HA )) 4.300 2.300 1.700 peak 7184 spectrum 1 weight 0.10000E+01 volume 0.80395E-03 ppm1 2.032 ppm2 5.030 CV 1
ASSI { 7187} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 148 and name HG2 )) 3.100 1.200 1.200 peak 7187 spectrum 1 weight 0.10000E+01 volume 0.11802E-02 ppm1 2.390 ppm2 1.563 CV 1
ASSI { 7189} (( segid " " and resid 141 and name HG2 )) (( segid " " and resid 141 and name HN )) 3.400 1.400 1.400 peak 7189 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 2.390 ppm2 8.251 CV 1
ASSI { 7190} (( segid " " and resid 141 and name HG3 )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 7190 spectrum 1 weight 0.10000E+01 volume 0.14138E-02 ppm1 2.032 ppm2 8.251 CV 1
ASSI { 7385} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 141 and name HA )) 3.000 1.100 1.100 peak 7385 spectrum 1 weight 0.10000E+01 volume 0.15700E-02 ppm1 2.052 ppm2 5.258 CV 1
ASSI { 7387} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 142 and name HN )) 3.700 1.700 1.700 peak 7387 spectrum 1 weight 0.10000E+01 volume 0.92846E-03 ppm1 1.973 ppm2 9.701 CV 1
ASSI { 7388} (( segid " " and resid 141 and name HB2 )) (( segid " " and resid 142 and name HN )) 2.800 1.000 1.000 peak 7388 spectrum 1 weight 0.10000E+01 volume 0.22925E-02 ppm1 2.052 ppm2 9.661 CV 1
ASSI { 7406} (( segid " " and resid 141 and name HB3 )) (( segid " " and resid 141 and name HN )) 3.000 1.100 1.100 peak 7406 spectrum 1 weight 0.10000E+01 volume 0.17300E-02 ppm1 1.938 ppm2 8.180 CV 1
ASSI { 8236} (( segid " " and resid 141 and name HA )) (( segid " " and resid 150 and name HA )) 2.400 0.700 0.700 peak 8236 spectrum 1 weight 0.10000E+01 volume 0.29130E-02 ppm1 5.273 ppm2 5.037 CV 1
ASSI { 981} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HN )) 4.300 2.300 1.700 peak 981 spectrum 1 weight 0.10000E+01 volume 0.59586E-03 ppm1 8.217 ppm2 8.566 CV 1
ASSI { 982} (( segid " " and resid 141 and name HN )) (( segid " " and resid 142 and name HN )) 4.600 2.600 1.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.29211E-03 ppm1 8.217 ppm2 9.634 CV 1
ASSI { 983} (( segid " " and resid 141 and name HN )) (( segid " " and resid 127 and name HN )) 3.600 1.600 1.600 peak 983 spectrum 1 weight 0.10000E+01 volume 0.87249E-03 ppm1 8.217 ppm2 10.008 CV 1
ASSI { 984} (( segid " " and resid 141 and name HN )) (( segid " " and resid 127 and name HD21)) 3.300 1.300 1.300 peak 984 spectrum 1 weight 0.10000E+01 volume 0.57691E-03 ppm1 8.217 ppm2 7.765 CV 1
ASSI { 985} (( segid " " and resid 141 and name HN )) (( segid " " and resid 127 and name HD22)) 4.000 2.000 2.000 peak 985 spectrum 1 weight 0.10000E+01 volume 0.78387E-03 ppm1 8.217 ppm2 7.444 CV 1
ASSI { 986} (( segid " " and resid 141 and name HN )) (( segid " " and resid 141 and name HA )) 3.000 1.100 1.100 peak 986 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 8.217 ppm2 5.241 CV 1
ASSI { 987} (( segid " " and resid 141 and name HN )) (( segid " " and resid 140 and name HA )) 2.400 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.40426E-02 ppm1 8.217 ppm2 4.814 CV 1
ASSI { 993} (( segid " " and resid 141 and name HN )) ( segid " " and resid 150 and name HG2%) 3.600 1.600 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10412E-02 ppm1 8.217 ppm2 0.875 CV 1
ASSI { 1575} (( segid " " and resid 142 and name HN )) (( segid " " and resid 151 and name HN )) 4.800 2.900 1.200 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.49513E-03 ppm1 9.675 ppm2 8.740 CV 1
ASSI { 282} (( segid " " and resid 142 and name HN )) (( segid " " and resid 149 and name HB2 )) 3.200 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.96808E-03 ppm1 9.675 ppm2 1.732 CV 1
ASSI { 283} (( segid " " and resid 142 and name HN )) (( segid " " and resid 149 and name HB3 )) 4.100 2.100 1.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.58856E-03 ppm1 9.675 ppm2 1.432 CV 1
ASSI { 4108} (( segid " " and resid 142 and name HB )) (( segid " " and resid 149 and name HB2 )) 2.300 0.600 0.600 peak 4108 spectrum 1 weight 0.10000E+01 volume 0.31502E-02 ppm1 1.998 ppm2 1.738 CV 1
ASSI { 4111} (( segid " " and resid 142 and name HB )) (( segid " " and resid 142 and name HN )) 2.700 0.900 0.900 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.22806E-02 ppm1 1.998 ppm2 9.703 CV 1
ASSI { 7280} (( segid " " and resid 142 and name HB )) (( segid " " and resid 103 and name HD2 )) 4.000 2.000 2.000 peak 7280 spectrum 1 weight 0.10000E+01 volume 0.76700E-03 ppm1 1.998 ppm2 6.807 CV 1
ASSI { 7300} (( segid " " and resid 142 and name HB )) (( segid " " and resid 149 and name HB3 )) 3.800 1.800 1.800 peak 7300 spectrum 1 weight 0.10000E+01 volume 0.15251E-02 ppm1 1.998 ppm2 1.463 CV 1
ASSI { 8113} (( segid " " and resid 142 and name HA )) (( segid " " and resid 128 and name HN )) 4.000 2.000 2.000 peak 8113 spectrum 1 weight 0.10000E+01 volume 0.91837E-03 ppm1 5.233 ppm2 9.270 CV 1
ASSI { 1253} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HA )) 3.000 1.200 1.200 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.13150E-02 ppm1 2.201 ppm2 5.427 CV 1
ASSI { 1257} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HA )) 3.300 1.300 1.300 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 2.503 ppm2 5.423 CV 1
ASSI { 1260} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HG3 )) 1.700 0.400 0.500 peak 1260 spectrum 1 weight 0.10000E+01 volume 0.86482E-02 ppm1 2.503 ppm2 2.244 CV 1
ASSI { 1437} (( segid " " and resid 143 and name HB3 )) (( segid " " and resid 143 and name HB2 )) 1.800 0.400 0.400 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.82486E-02 ppm1 2.208 ppm2 2.249 CV 1
ASSI { 1578} (( segid " " and resid 143 and name HN )) (( segid " " and resid 127 and name HN )) 4.400 2.400 1.600 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.44668E-03 ppm1 9.515 ppm2 9.990 CV 1
ASSI { 1624} (( segid " " and resid 143 and name HN )) (( segid " " and resid 125 and name HB3 )) 3.600 1.600 1.600 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.76008E-03 ppm1 9.515 ppm2 2.364 CV 1
ASSI { 1759} (( segid " " and resid 143 and name HE22)) ( segid " " and resid 147 and name HD% ) 4.000 2.000 2.000 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.88935E-03 ppm1 6.609 ppm2 7.033 CV 1
ASSI { 1821} (( segid " " and resid 143 and name HE21)) (( segid " " and resid 33 and name HB3 )) 4.200 2.200 1.800 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.84997E-03 ppm1 7.656 ppm2 2.457 CV 1
ASSI { 1823} (( segid " " and resid 143 and name HE22)) (( segid " " and resid 143 and name HG3 )) 3.400 1.500 1.500 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.18165E-02 ppm1 6.600 ppm2 2.176 CV 1
ASSI { 1824} (( segid " " and resid 143 and name HE22)) (( segid " " and resid 143 and name HG2 )) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.15039E-02 ppm1 6.600 ppm2 2.471 CV 1
ASSI { 1827} (( segid " " and resid 143 and name HE22)) ( segid " " and resid 32 and name HB% ) 4.200 2.200 1.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.59733E-03 ppm1 6.600 ppm2 0.536 CV 1
ASSI { 1828} (( segid " " and resid 143 and name HE21)) (( segid " " and resid 143 and name HE22)) 2.000 0.500 0.500 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.42530E-02 ppm1 7.656 ppm2 6.601 CV 1
ASSI { 192} (( segid " " and resid 143 and name HN )) (( segid " " and resid 142 and name HA )) 2.400 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.34537E-02 ppm1 9.515 ppm2 5.204 CV 1
ASSI { 1930} (( segid " " and resid 143 and name HE21)) ( segid " " and resid 147 and name HD% ) 4.200 2.200 1.800 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.70120E-03 ppm1 7.656 ppm2 6.996 CV 1
ASSI { 194} (( segid " " and resid 143 and name HN )) (( segid " " and resid 125 and name HB2 )) 4.200 2.200 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.69910E-03 ppm1 9.515 ppm2 3.087 CV 1
ASSI { 197} (( segid " " and resid 143 and name HN )) ( segid " " and resid 126 and name HG2%) 3.400 1.400 1.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11231E-02 ppm1 9.515 ppm2 0.756 CV 1
ASSI { 4150} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 144 and name HN )) 3.300 1.300 1.300 peak 4150 spectrum 1 weight 0.10000E+01 volume 0.22846E-02 ppm1 2.505 ppm2 8.580 CV 1
ASSI { 4578} (( segid " " and resid 143 and name HA )) (( segid " " and resid 144 and name HN )) 2.400 0.700 0.700 peak 4578 spectrum 1 weight 0.10000E+01 volume 0.44626E-02 ppm1 5.421 ppm2 8.571 CV 1
ASSI { 6174} (( segid " " and resid 143 and name HA )) (( segid " " and resid 126 and name HA )) 4.200 2.200 1.800 peak 6174 spectrum 1 weight 0.10000E+01 volume 0.84169E-03 ppm1 5.404 ppm2 4.969 CV 1
ASSI { 7380} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HE21)) 2.300 2.300 3.700 peak 7380 spectrum 1 weight 0.10000E+01 volume 0.29744E-02 ppm1 2.505 ppm2 7.696 CV 1
ASSI { 7381} (( segid " " and resid 143 and name HG2 )) ( segid " " and resid 147 and name HD% ) 3.600 1.600 1.600 peak 7381 spectrum 1 weight 0.10000E+01 volume 0.10326E-02 ppm1 2.506 ppm2 6.980 CV 1
ASSI { 7389} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 34 and name HZ )) 2.500 2.500 3.500 peak 7389 spectrum 1 weight 0.10000E+01 volume 0.74822E-03 ppm1 2.201 ppm2 6.427 CV 1
ASSI { 7391} (( segid " " and resid 143 and name HG3 )) ( segid " " and resid 147 and name HD% ) 4.100 2.100 1.900 peak 7391 spectrum 1 weight 0.10000E+01 volume 0.75456E-03 ppm1 2.204 ppm2 6.968 CV 1
ASSI { 7392} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HE21)) 2.900 1.100 1.100 peak 7392 spectrum 1 weight 0.10000E+01 volume 0.14927E-02 ppm1 2.201 ppm2 7.686 CV 1
ASSI { 8120} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 143 and name HN )) 4.300 2.400 1.700 peak 8120 spectrum 1 weight 0.10000E+01 volume 0.65396E-03 ppm1 2.506 ppm2 9.532 CV 1
ASSI { 8121} (( segid " " and resid 143 and name HG3 )) (( segid " " and resid 143 and name HN )) 4.000 2.000 2.000 peak 8121 spectrum 1 weight 0.10000E+01 volume 0.74901E-03 ppm1 2.201 ppm2 9.532 CV 1
ASSI { 8124} (( segid " " and resid 143 and name HG2 )) (( segid " " and resid 34 and name HZ )) 2.600 2.600 3.400 peak 8124 spectrum 1 weight 0.10000E+01 volume 0.52767E-03 ppm1 2.507 ppm2 6.431 CV 1
ASSI { 1261} (( segid " " and resid 144 and name HA )) ( segid " " and resid 144 and name HD1%) 3.400 1.500 1.500 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.27194E-02 ppm1 4.139 ppm2 -0.152 CV 1
ASSI { 1263} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG13)) 2.600 0.800 0.800 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.37905E-02 ppm1 4.139 ppm2 0.854 CV 1
ASSI { 1264} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HB )) 2.600 0.900 0.900 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 4.139 ppm2 1.277 CV 1
ASSI { 1265} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HG12)) 3.100 1.200 1.200 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.13761E-02 ppm1 4.139 ppm2 1.434 CV 1
ASSI { 1267} (( segid " " and resid 144 and name HB )) ( segid " " and resid 144 and name HD1%) 2.400 0.700 0.700 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.36680E-02 ppm1 1.276 ppm2 -0.151 CV 1
ASSI { 1271} (( segid " " and resid 144 and name HB )) (( segid " " and resid 144 and name HG12)) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.20928E-02 ppm1 1.276 ppm2 1.434 CV 1
ASSI { 1274} (( segid " " and resid 144 and name HG12)) ( segid " " and resid 144 and name HG2%) 2.700 0.900 0.900 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.23578E-02 ppm1 1.445 ppm2 0.512 CV 1
ASSI { 1275} (( segid " " and resid 144 and name HG12)) (( segid " " and resid 144 and name HG13)) 1.800 0.400 0.400 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.35569E-02 ppm1 1.445 ppm2 0.847 CV 1
ASSI { 1279} (( segid " " and resid 144 and name HG13)) ( segid " " and resid 144 and name HD1%) 2.600 0.800 0.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.15520E-02 ppm1 0.857 ppm2 -0.151 CV 1
ASSI { 1280} (( segid " " and resid 144 and name HG13)) ( segid " " and resid 144 and name HG2%) 3.000 1.200 1.200 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.26126E-02 ppm1 0.857 ppm2 0.519 CV 1
ASSI { 1282} (( segid " " and resid 144 and name HG13)) (( segid " " and resid 144 and name HB )) 2.300 0.600 0.600 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.21562E-02 ppm1 0.857 ppm2 1.278 CV 1
ASSI { 1291} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HA )) 2.900 1.100 1.100 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 0.506 ppm2 4.119 CV 1
ASSI { 1293} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HB )) 1.900 0.500 0.500 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.89960E-02 ppm1 0.506 ppm2 1.275 CV 1
ASSI { 1296} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 144 and name HD1%) 1.800 0.400 0.400 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.13943E-01 ppm1 0.506 ppm2 -0.183 CV 1
ASSI { 1579} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HN )) 4.300 2.300 1.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.42596E-03 ppm1 8.542 ppm2 9.521 CV 1
ASSI { 1580} (( segid " " and resid 144 and name HN )) (( segid " " and resid 149 and name HN )) 4.000 2.000 2.000 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.46588E-03 ppm1 8.542 ppm2 9.833 CV 1
ASSI { 1583} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HE22)) 4.300 2.300 1.700 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.25482E-03 ppm1 8.542 ppm2 6.623 CV 1
ASSI { 1584} (( segid " " and resid 144 and name HN )) (( segid " " and resid 143 and name HE21)) 3.800 1.800 1.800 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.53016E-03 ppm1 8.542 ppm2 7.647 CV 1
ASSI { 219} (( segid " " and resid 144 and name HN )) (( segid " " and resid 144 and name HB )) 3.200 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.13714E-02 ppm1 8.542 ppm2 1.277 CV 1
ASSI { 4206} (( segid " " and resid 144 and name HG12)) ( segid " " and resid 144 and name HD1%) 2.900 1.000 1.000 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.96798E-03 ppm1 1.393 ppm2 -0.165 CV 1
ASSI { 4296} (( segid " " and resid 144 and name HA )) (( segid " " and resid 145 and name HN )) 2.400 0.700 0.700 peak 4296 spectrum 1 weight 0.10000E+01 volume 0.29031E-02 ppm1 4.133 ppm2 9.973 CV 1
ASSI { 4711} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 94 and name HG )) 2.100 0.600 0.600 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.49802E-02 ppm1 -0.160 ppm2 0.223 CV 1
ASSI { 4713} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 147 and name HB3 )) 4.500 2.500 1.500 peak 4713 spectrum 1 weight 0.10000E+01 volume 0.69317E-03 ppm1 -0.160 ppm2 2.556 CV 1
ASSI { 4714} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 103 and name HB2 )) 2.500 2.500 3.500 peak 4714 spectrum 1 weight 0.10000E+01 volume 0.79444E-03 ppm1 -0.160 ppm2 3.257 CV 1
ASSI { 4715} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 103 and name HD2 )) 3.000 1.100 1.100 peak 4715 spectrum 1 weight 0.10000E+01 volume 0.14729E-02 ppm1 -0.160 ppm2 6.751 CV 1
ASSI { 4716} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 122 and name HD21)) 3.800 1.800 1.800 peak 4716 spectrum 1 weight 0.10000E+01 volume 0.73380E-03 ppm1 -0.160 ppm2 8.323 CV 1
ASSI { 4717} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 144 and name HN )) 3.800 1.800 1.800 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.15018E-02 ppm1 -0.160 ppm2 8.528 CV 1
ASSI { 4752} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 115 and name HG2%) 2.200 2.200 3.800 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.16761E-02 ppm1 0.506 ppm2 0.044 CV 1
ASSI { 4754} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 142 and name HB )) 3.300 1.300 1.300 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.12879E-02 ppm1 0.506 ppm2 1.968 CV 1
ASSI { 4755} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 103 and name HB3 )) 4.000 2.000 2.000 peak 4755 spectrum 1 weight 0.10000E+01 volume 0.84841E-03 ppm1 0.506 ppm2 3.213 CV 1
ASSI { 4757} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 103 and name HD2 )) 2.200 0.600 0.600 peak 4757 spectrum 1 weight 0.10000E+01 volume 0.78558E-02 ppm1 0.506 ppm2 6.765 CV 1
ASSI { 4758} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 144 and name HN )) 2.800 0.900 0.900 peak 4758 spectrum 1 weight 0.10000E+01 volume 0.15725E-02 ppm1 0.506 ppm2 8.590 CV 1
ASSI { 6111} ( segid " " and resid 144 and name HG2%) ( segid " " and resid 142 and name HG1%) 1.900 0.500 0.500 peak 6111 spectrum 1 weight 0.10000E+01 volume 0.15832E-01 ppm1 0.506 ppm2 0.928 CV 1
ASSI { 6252} (( segid " " and resid 144 and name HA )) (( segid " " and resid 144 and name HN )) 2.900 1.000 1.000 peak 6252 spectrum 1 weight 0.10000E+01 volume 0.14389E-02 ppm1 4.136 ppm2 8.552 CV 1
ASSI { 7109} (( segid " " and resid 144 and name HB )) (( segid " " and resid 147 and name HB2 )) 4.600 2.700 1.400 peak 7109 spectrum 1 weight 0.10000E+01 volume 0.63418E-03 ppm1 1.276 ppm2 3.471 CV 1
ASSI { 7701} (( segid " " and resid 144 and name HA )) (( segid " " and resid 103 and name HD1 )) 3.500 1.600 1.600 peak 7701 spectrum 1 weight 0.10000E+01 volume 0.70871E-03 ppm1 4.133 ppm2 10.880 CV 1
ASSI { 7989} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 73 and name HB2 )) 4.700 2.700 1.300 peak 7989 spectrum 1 weight 0.10000E+01 volume 0.62253E-03 ppm1 -0.163 ppm2 3.698 CV 1
ASSI { 7991} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 74 and name HN )) 4.300 2.300 1.700 peak 7991 spectrum 1 weight 0.10000E+01 volume 0.56403E-03 ppm1 -0.163 ppm2 8.053 CV 1
ASSI { 7993} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 145 and name HN )) 3.800 1.800 1.800 peak 7993 spectrum 1 weight 0.10000E+01 volume 0.12322E-02 ppm1 -0.160 ppm2 9.967 CV 1
ASSI { 8011} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 145 and name HN )) 4.400 2.400 1.600 peak 8011 spectrum 1 weight 0.10000E+01 volume 0.50672E-03 ppm1 0.506 ppm2 9.965 CV 1
ASSI { 8012} ( segid " " and resid 144 and name HG2%) (( segid " " and resid 103 and name HD1 )) 2.600 2.600 3.400 peak 8012 spectrum 1 weight 0.10000E+01 volume 0.64585E-03 ppm1 0.506 ppm2 10.885 CV 1
ASSI { 8125} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 85 and name HA1 )) 2.800 1.000 1.000 peak 8125 spectrum 1 weight 0.10000E+01 volume 0.74822E-03 ppm1 -0.163 ppm2 4.420 CV 1
ASSI { 8126} ( segid " " and resid 144 and name HD1%) (( segid " " and resid 145 and name HA2 )) 3.700 1.700 1.700 peak 8126 spectrum 1 weight 0.10000E+01 volume 0.97549E-03 ppm1 -0.160 ppm2 3.393 CV 1
ASSI { 1080} (( segid " " and resid 145 and name HN )) (( segid " " and resid 144 and name HN )) 3.900 1.900 1.900 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.56445E-03 ppm1 9.938 ppm2 8.546 CV 1
ASSI { 1083} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HN )) 3.300 1.400 1.400 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.68367E-03 ppm1 9.938 ppm2 7.103 CV 1
ASSI { 1085} (( segid " " and resid 145 and name HN )) (( segid " " and resid 145 and name HA1 )) 2.600 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.14662E-02 ppm1 9.938 ppm2 3.704 CV 1
ASSI { 1087} (( segid " " and resid 145 and name HN )) (( segid " " and resid 146 and name HB2 )) 4.400 2.400 1.600 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.46228E-03 ppm1 9.938 ppm2 1.384 CV 1
ASSI { 1297} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 145 and name HA1 )) 2.100 0.500 0.500 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.24150E-02 ppm1 3.362 ppm2 3.746 CV 1
ASSI { 1585} (( segid " " and resid 145 and name HN )) (( segid " " and resid 143 and name HG2 )) 5.400 3.700 0.600 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.30520E-03 ppm1 9.938 ppm2 2.476 CV 1
ASSI { 6133} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 145 and name HN )) 2.800 1.000 1.000 peak 6133 spectrum 1 weight 0.10000E+01 volume 0.18291E-02 ppm1 3.374 ppm2 9.967 CV 1
ASSI { 6290} (( segid " " and resid 145 and name HA2 )) (( segid " " and resid 98 and name HB )) 3.600 1.600 1.600 peak 6290 spectrum 1 weight 0.10000E+01 volume 0.93241E-03 ppm1 3.363 ppm2 3.986 CV 1
ASSI { 6495} (( segid " " and resid 145 and name HA2 )) ( segid " " and resid 147 and name HD% ) 3.700 1.700 1.700 peak 6495 spectrum 1 weight 0.10000E+01 volume 0.55375E-03 ppm1 3.363 ppm2 7.022 CV 1
ASSI { 6926} (( segid " " and resid 145 and name HA1 )) (( segid " " and resid 146 and name HN )) 3.000 1.100 1.100 peak 6926 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 3.738 ppm2 7.178 CV 1
ASSI { 8127} (( segid " " and resid 145 and name HA1 )) ( segid " " and resid 147 and name HD% ) 4.800 2.800 1.200 peak 8127 spectrum 1 weight 0.10000E+01 volume 0.58558E-03 ppm1 3.761 ppm2 7.022 CV 1
ASSI { 1302} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB2 )) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.27350E-02 ppm1 3.638 ppm2 1.352 CV 1
ASSI { 1305} (( segid " " and resid 146 and name HA )) (( segid " " and resid 146 and name HB3 )) 2.400 0.700 0.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.25696E-02 ppm1 3.637 ppm2 0.836 CV 1
ASSI { 1309} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HE2 )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.53992E-03 ppm1 0.830 ppm2 2.548 CV 1
ASSI { 1310} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HE3 )) 4.100 2.100 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.50270E-03 ppm1 0.830 ppm2 2.439 CV 1
ASSI { 1318} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HE2 )) 3.000 1.100 1.100 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.97293E-03 ppm1 1.345 ppm2 2.545 CV 1
ASSI { 1323} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HB3 )) 2.100 0.500 0.500 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.35962E-02 ppm1 1.345 ppm2 0.819 CV 1
ASSI { 1343} (( segid " " and resid 146 and name HD3 )) (( segid " " and resid 146 and name HD2 )) 1.400 0.200 0.800 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.26103E-01 ppm1 1.271 ppm2 1.276 CV 1
ASSI { 1344} (( segid " " and resid 146 and name HE3 )) (( segid " " and resid 146 and name HE2 )) 1.500 0.300 0.700 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.18079E-01 ppm1 2.414 ppm2 2.531 CV 1
ASSI { 1346} (( segid " " and resid 146 and name HE3 )) (( segid " " and resid 146 and name HB2 )) 3.200 1.300 1.300 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.77185E-03 ppm1 2.414 ppm2 1.376 CV 1
ASSI { 1438} (( segid " " and resid 146 and name HG2 )) (( segid " " and resid 146 and name HG3 )) 1.300 0.200 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.44924E-01 ppm1 0.651 ppm2 0.640 CV 1
ASSI { 4428} (( segid " " and resid 146 and name HA )) ( segid " " and resid 147 and name HD% ) 3.500 1.500 1.500 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.19713E-02 ppm1 3.638 ppm2 7.021 CV 1
ASSI { 589} (( segid " " and resid 146 and name HN )) (( segid " " and resid 98 and name HB )) 3.700 1.700 1.700 peak 589 spectrum 1 weight 0.10000E+01 volume 0.74562E-03 ppm1 7.129 ppm2 3.963 CV 1
ASSI { 592} (( segid " " and resid 146 and name HN )) (( segid " " and resid 145 and name HA2 )) 2.400 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.13320E-02 ppm1 7.129 ppm2 3.360 CV 1
ASSI { 6346} (( segid " " and resid 146 and name HA )) (( segid " " and resid 143 and name HG2 )) 3.900 1.900 1.900 peak 6346 spectrum 1 weight 0.10000E+01 volume 0.81477E-03 ppm1 3.636 ppm2 2.500 CV 1
ASSI { 6351} (( segid " " and resid 146 and name HE3 )) ( segid " " and resid 98 and name HG2%) 3.400 1.400 1.400 peak 6351 spectrum 1 weight 0.10000E+01 volume 0.20562E-02 ppm1 2.415 ppm2 0.942 CV 1
ASSI { 7373} (( segid " " and resid 146 and name HB2 )) (( segid " " and resid 146 and name HN )) 3.200 1.300 1.300 peak 7373 spectrum 1 weight 0.10000E+01 volume 0.12269E-02 ppm1 1.345 ppm2 7.143 CV 1
ASSI { 7374} (( segid " " and resid 146 and name HB3 )) (( segid " " and resid 146 and name HN )) 3.000 1.100 1.100 peak 7374 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 0.830 ppm2 7.155 CV 1
ASSI { 7818} (( segid " " and resid 146 and name HA )) (( segid " " and resid 143 and name HE21)) 2.700 0.900 0.900 peak 7818 spectrum 1 weight 0.10000E+01 volume 0.17198E-02 ppm1 3.637 ppm2 7.694 CV 1
ASSI { 7819} (( segid " " and resid 146 and name HA )) (( segid " " and resid 143 and name HE22)) 3.100 1.200 1.200 peak 7819 spectrum 1 weight 0.10000E+01 volume 0.95514E-03 ppm1 3.637 ppm2 6.611 CV 1
ASSI { 1361} (( segid " " and resid 147 and name HA )) (( segid " " and resid 147 and name HB3 )) 2.600 0.900 0.900 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.17462E-02 ppm1 4.549 ppm2 2.541 CV 1
ASSI { 1363} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 2.100 0.600 0.600 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.23418E-02 ppm1 2.543 ppm2 3.474 CV 1
ASSI { 4374} (( segid " " and resid 147 and name HA )) ( segid " " and resid 147 and name HE% ) 4.300 2.300 1.700 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.74011E-03 ppm1 4.549 ppm2 7.212 CV 1
ASSI { 6390} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 147 and name HB2 )) 3.400 1.400 1.400 peak 6390 spectrum 1 weight 0.10000E+01 volume 0.14802E-02 ppm1 7.250 ppm2 3.459 CV 1
ASSI { 7137} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 144 and name HN )) 4.200 2.200 1.800 peak 7137 spectrum 1 weight 0.10000E+01 volume 0.82174E-03 ppm1 2.543 ppm2 8.587 CV 1
ASSI { 7722} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 32 and name HB% ) 2.500 2.500 3.500 peak 7722 spectrum 1 weight 0.10000E+01 volume 0.80909E-03 ppm1 7.250 ppm2 0.589 CV 1
ASSI { 7723} ( segid " " and resid 147 and name HE% ) (( segid " " and resid 94 and name HB3 )) 3.000 1.100 1.100 peak 7723 spectrum 1 weight 0.10000E+01 volume 0.63499E-03 ppm1 7.250 ppm2 0.241 CV 1
ASSI { 7726} ( segid " " and resid 147 and name HE% ) ( segid " " and resid 94 and name HD2%) 2.600 2.600 3.400 peak 7726 spectrum 1 weight 0.10000E+01 volume 0.52134E-03 ppm1 7.250 ppm2 -0.377 CV 1
ASSI { 7752} ( segid " " and resid 147 and name HD% ) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 7752 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 7.019 ppm2 7.412 CV 1
ASSI { 8131} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 31 and name HE )) 3.600 3.600 2.400 peak 8131 spectrum 1 weight 0.10000E+01 volume 0.15575E-02 ppm1 2.543 ppm2 7.186 CV 1
ASSI { 8133} (( segid " " and resid 147 and name HB3 )) (( segid " " and resid 68 and name HN )) 3.300 1.300 1.300 peak 8133 spectrum 1 weight 0.10000E+01 volume 0.92471E-03 ppm1 2.543 ppm2 8.358 CV 1
ASSI { 1591} (( segid " " and resid 148 and name HN )) (( segid " " and resid 69 and name HD2 )) 4.100 2.100 1.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.42242E-03 ppm1 8.661 ppm2 2.910 CV 1
ASSI { 1592} (( segid " " and resid 148 and name HN )) (( segid " " and resid 65 and name HA )) 3.600 1.600 1.600 peak 1592 spectrum 1 weight 0.10000E+01 volume 0.44612E-03 ppm1 8.661 ppm2 4.124 CV 1
ASSI { 1647} (( segid " " and resid 148 and name HN )) (( segid " " and resid 68 and name HN )) 3.500 1.600 1.600 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.52068E-03 ppm1 8.661 ppm2 8.318 CV 1
ASSI { 1910} (( segid " " and resid 148 and name HE )) (( segid " " and resid 148 and name HB3 )) 3.700 1.700 1.700 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.56374E-03 ppm1 7.341 ppm2 1.700 CV 1
ASSI { 1919} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HB3 )) 2.900 1.000 1.000 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.28596E-02 ppm1 5.463 ppm2 1.710 CV 1
ASSI { 1920} (( segid " " and resid 148 and name HA )) (( segid " " and resid 148 and name HG2 )) 2.700 0.900 0.900 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.24762E-02 ppm1 5.462 ppm2 1.503 CV 1
ASSI { 1928} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 148 and name HA )) 3.000 1.200 1.200 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.12269E-02 ppm1 1.806 ppm2 5.467 CV 1
ASSI { 1934} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HA )) 3.100 1.200 1.200 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.14569E-02 ppm1 1.469 ppm2 5.465 CV 1
ASSI { 1936} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB2 )) 2.300 0.600 0.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.46857E-02 ppm1 1.469 ppm2 1.812 CV 1
ASSI { 1937} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HB3 )) 2.700 0.900 0.900 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.59783E-02 ppm1 1.470 ppm2 1.747 CV 1
ASSI { 1938} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 148 and name HG2 )) 2.000 0.500 0.500 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.56185E-02 ppm1 1.470 ppm2 1.573 CV 1
ASSI { 6251} (( segid " " and resid 148 and name HA )) (( segid " " and resid 142 and name HN )) 3.500 1.600 1.600 peak 6251 spectrum 1 weight 0.10000E+01 volume 0.15125E-02 ppm1 5.452 ppm2 9.698 CV 1
ASSI { 635} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HA )) 2.400 0.700 0.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.38908E-02 ppm1 8.661 ppm2 4.513 CV 1
ASSI { 636} (( segid " " and resid 148 and name HN )) (( segid " " and resid 68 and name HA2 )) 3.300 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.68263E-03 ppm1 8.661 ppm2 3.420 CV 1
ASSI { 637} (( segid " " and resid 148 and name HN )) (( segid " " and resid 147 and name HB3 )) 3.000 1.100 1.100 peak 637 spectrum 1 weight 0.10000E+01 volume 0.82507E-03 ppm1 8.661 ppm2 2.498 CV 1
ASSI { 638} (( segid " " and resid 148 and name HN )) (( segid " " and resid 148 and name HB3 )) 2.800 0.900 0.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.27139E-02 ppm1 8.661 ppm2 1.701 CV 1
ASSI { 6662} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 147 and name HB2 )) 4.100 2.100 1.900 peak 6662 spectrum 1 weight 0.10000E+01 volume 0.70200E-03 ppm1 1.691 ppm2 3.505 CV 1
ASSI { 7368} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 31 and name HE )) 3.300 1.400 1.400 peak 7368 spectrum 1 weight 0.10000E+01 volume 0.91067E-03 ppm1 1.806 ppm2 7.143 CV 1
ASSI { 7375} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 7375 spectrum 1 weight 0.10000E+01 volume 0.10696E-02 ppm1 1.728 ppm2 7.988 CV 1
ASSI { 7376} (( segid " " and resid 148 and name HB2 )) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 7376 spectrum 1 weight 0.10000E+01 volume 0.66463E-03 ppm1 1.806 ppm2 8.013 CV 1
ASSI { 7379} (( segid " " and resid 148 and name HB3 )) (( segid " " and resid 31 and name HE )) 4.100 2.100 1.900 peak 7379 spectrum 1 weight 0.10000E+01 volume 0.66819E-03 ppm1 1.728 ppm2 7.143 CV 1
ASSI { 7518} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 31 and name HE )) 3.100 3.100 2.900 peak 7518 spectrum 1 weight 0.10000E+01 volume 0.21383E-02 ppm1 1.469 ppm2 7.137 CV 1
ASSI { 7519} (( segid " " and resid 148 and name HG3 )) (( segid " " and resid 142 and name HN )) 3.900 1.900 1.900 peak 7519 spectrum 1 weight 0.10000E+01 volume 0.96798E-03 ppm1 1.469 ppm2 9.704 CV 1
ASSI { 1374} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HB3 )) 2.600 0.800 0.800 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.16715E-02 ppm1 5.506 ppm2 1.440 CV 1
ASSI { 1375} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HG )) 2.500 0.800 0.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.28993E-02 ppm1 5.506 ppm2 1.674 CV 1
ASSI { 1379} (( segid " " and resid 149 and name HG )) (( segid " " and resid 149 and name HB2 )) 2.500 0.800 0.800 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.29652E-02 ppm1 1.676 ppm2 1.790 CV 1
ASSI { 1381} (( segid " " and resid 149 and name HG )) (( segid " " and resid 149 and name HB3 )) 2.500 0.800 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.35696E-02 ppm1 1.676 ppm2 1.460 CV 1
ASSI { 1384} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 149 and name HB2 )) 2.300 0.600 0.600 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.20395E-02 ppm1 1.439 ppm2 1.771 CV 1
ASSI { 295} (( segid " " and resid 149 and name HN )) (( segid " " and resid 148 and name HN )) 3.800 1.800 1.800 peak 295 spectrum 1 weight 0.10000E+01 volume 0.55939E-03 ppm1 9.793 ppm2 8.625 CV 1
ASSI { 4184} (( segid " " and resid 149 and name HG )) (( segid " " and resid 149 and name HN )) 2.800 1.000 1.000 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.22569E-02 ppm1 1.667 ppm2 9.829 CV 1
ASSI { 4185} (( segid " " and resid 149 and name HG )) (( segid " " and resid 65 and name HA )) 2.700 0.900 0.900 peak 4185 spectrum 1 weight 0.10000E+01 volume 0.16792E-02 ppm1 1.676 ppm2 4.118 CV 1
ASSI { 4223} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 149 and name HN )) 2.600 0.800 0.800 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.35065E-02 ppm1 0.787 ppm2 9.843 CV 1
ASSI { 6112} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 147 and name HB3 )) 3.000 1.100 1.100 peak 6112 spectrum 1 weight 0.10000E+01 volume 0.43636E-02 ppm1 0.787 ppm2 2.541 CV 1
ASSI { 6113} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 147 and name HB2 )) 2.700 0.900 0.900 peak 6113 spectrum 1 weight 0.10000E+01 volume 0.27154E-02 ppm1 0.787 ppm2 3.446 CV 1
ASSI { 6114} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 144 and name HN )) 3.000 1.100 1.100 peak 6114 spectrum 1 weight 0.10000E+01 volume 0.19131E-02 ppm1 0.787 ppm2 8.571 CV 1
ASSI { 6121} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 142 and name HB )) 2.600 0.800 0.800 peak 6121 spectrum 1 weight 0.10000E+01 volume 0.44762E-02 ppm1 0.787 ppm2 1.971 CV 1
ASSI { 6122} ( segid " " and resid 149 and name HD1%) ( segid " " and resid 144 and name HG2%) 2.100 0.500 0.500 peak 6122 spectrum 1 weight 0.10000E+01 volume 0.83320E-02 ppm1 0.787 ppm2 0.510 CV 1
ASSI { 6134} (( segid " " and resid 149 and name HA )) (( segid " " and resid 149 and name HN )) 2.800 1.000 1.000 peak 6134 spectrum 1 weight 0.10000E+01 volume 0.13652E-02 ppm1 5.506 ppm2 9.816 CV 1
ASSI { 6219} ( segid " " and resid 149 and name HD2%) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 6219 spectrum 1 weight 0.10000E+01 volume 0.22451E-02 ppm1 0.786 ppm2 8.800 CV 1
ASSI { 6250} ( segid " " and resid 149 and name HD1%) (( segid " " and resid 142 and name HN )) 3.400 1.500 1.500 peak 6250 spectrum 1 weight 0.10000E+01 volume 0.15629E-02 ppm1 0.787 ppm2 9.721 CV 1
ASSI { 6254} (( segid " " and resid 149 and name HG )) (( segid " " and resid 150 and name HN )) 3.900 1.900 1.900 peak 6254 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 1.667 ppm2 9.274 CV 1
ASSI { 6967} (( segid " " and resid 149 and name HB2 )) (( segid " " and resid 149 and name HN )) 3.100 1.200 1.200 peak 6967 spectrum 1 weight 0.10000E+01 volume 0.65020E-03 ppm1 1.747 ppm2 9.823 CV 1
ASSI { 6974} (( segid " " and resid 149 and name HB3 )) (( segid " " and resid 149 and name HN )) 4.300 2.300 1.700 peak 6974 spectrum 1 weight 0.10000E+01 volume 0.58735E-03 ppm1 1.439 ppm2 9.797 CV 1
ASSI { 8239} (( segid " " and resid 149 and name HG )) (( segid " " and resid 147 and name HB3 )) 3.800 1.800 1.800 peak 8239 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 1.676 ppm2 2.553 CV 1
ASSI { 8240} (( segid " " and resid 149 and name HG )) (( segid " " and resid 66 and name HN )) 4.300 2.300 1.700 peak 8240 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 1.667 ppm2 9.400 CV 1
ASSI { 1402} (( segid " " and resid 150 and name HB )) (( segid " " and resid 150 and name HA )) 2.400 0.700 0.700 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.41265E-02 ppm1 1.810 ppm2 5.066 CV 1
ASSI { 1405} (( segid " " and resid 150 and name HB )) ( segid " " and resid 150 and name HG2%) 2.000 0.500 0.500 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.18308E-01 ppm1 1.810 ppm2 0.903 CV 1
ASSI { 1406} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 150 and name HA )) 2.500 0.800 0.800 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.84131E-02 ppm1 0.949 ppm2 5.062 CV 1
ASSI { 1407} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 150 and name HB )) 2.100 0.500 0.500 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.14924E-01 ppm1 0.937 ppm2 1.798 CV 1
ASSI { 1409} ( segid " " and resid 150 and name HG1%) ( segid " " and resid 150 and name HG2%) 1.800 0.400 0.400 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.35415E-01 ppm1 0.938 ppm2 0.902 CV 1
ASSI { 1530} (( segid " " and resid 150 and name HN )) (( segid " " and resid 66 and name HD3 )) 4.700 2.800 1.300 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.36297E-03 ppm1 9.207 ppm2 1.365 CV 1
ASSI { 4113} (( segid " " and resid 150 and name HB )) (( segid " " and resid 150 and name HN )) 2.900 1.100 1.100 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.42115E-02 ppm1 1.810 ppm2 9.285 CV 1
ASSI { 4289} (( segid " " and resid 150 and name HA )) (( segid " " and resid 142 and name HN )) 3.800 1.800 1.800 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.12575E-02 ppm1 5.070 ppm2 9.692 CV 1
ASSI { 4394} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 142 and name HN )) 2.300 2.300 3.700 peak 4394 spectrum 1 weight 0.10000E+01 volume 0.12190E-02 ppm1 0.949 ppm2 9.716 CV 1
ASSI { 4493} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 151 and name HN )) 2.500 0.800 0.800 peak 4493 spectrum 1 weight 0.10000E+01 volume 0.56264E-02 ppm1 0.891 ppm2 8.777 CV 1
ASSI { 4494} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 4494 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 0.898 ppm2 8.899 CV 1
ASSI { 4496} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 4496 spectrum 1 weight 0.10000E+01 volume 0.21146E-02 ppm1 0.896 ppm2 5.474 CV 1
ASSI { 4498} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 139 and name HA2 )) 3.600 1.600 1.600 peak 4498 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 0.896 ppm2 3.409 CV 1
ASSI { 6104} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 139 and name HA1 )) 2.400 0.700 0.700 peak 6104 spectrum 1 weight 0.10000E+01 volume 0.59862E-02 ppm1 0.896 ppm2 4.420 CV 1
ASSI { 6105} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 141 and name HB2 )) 2.600 0.800 0.800 peak 6105 spectrum 1 weight 0.10000E+01 volume 0.64098E-02 ppm1 0.937 ppm2 2.017 CV 1
ASSI { 6106} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 141 and name HG2 )) 2.400 2.400 3.600 peak 6106 spectrum 1 weight 0.10000E+01 volume 0.54056E-02 ppm1 0.937 ppm2 2.386 CV 1
ASSI { 6220} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 151 and name HN )) 3.000 1.100 1.100 peak 6220 spectrum 1 weight 0.10000E+01 volume 0.71641E-02 ppm1 0.949 ppm2 8.773 CV 1
ASSI { 6258} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 150 and name HN )) 2.300 0.600 0.600 peak 6258 spectrum 1 weight 0.10000E+01 volume 0.53597E-02 ppm1 0.949 ppm2 9.302 CV 1
ASSI { 714} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HA )) 2.100 0.600 0.600 peak 714 spectrum 1 weight 0.10000E+01 volume 0.45922E-02 ppm1 9.270 ppm2 5.470 CV 1
ASSI { 718} (( segid " " and resid 150 and name HN )) (( segid " " and resid 149 and name HB3 )) 2.800 1.000 1.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.19603E-02 ppm1 9.270 ppm2 1.420 CV 1
ASSI { 7795} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 139 and name HN )) 3.900 1.900 1.900 peak 7795 spectrum 1 weight 0.10000E+01 volume 0.16310E-02 ppm1 0.949 ppm2 10.083 CV 1
ASSI { 7796} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 149 and name HA )) 3.300 1.400 1.400 peak 7796 spectrum 1 weight 0.10000E+01 volume 0.32827E-02 ppm1 0.949 ppm2 5.482 CV 1
ASSI { 7888} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 139 and name HN )) 3.000 1.100 1.100 peak 7888 spectrum 1 weight 0.10000E+01 volume 0.18368E-02 ppm1 0.898 ppm2 10.079 CV 1
ASSI { 8241} (( segid " " and resid 150 and name HA )) (( segid " " and resid 150 and name HN )) 2.700 0.900 0.900 peak 8241 spectrum 1 weight 0.10000E+01 volume 0.20316E-02 ppm1 5.070 ppm2 9.273 CV 1
ASSI { 8243} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 66 and name HN )) 2.600 0.900 0.900 peak 8243 spectrum 1 weight 0.10000E+01 volume 0.44111E-02 ppm1 0.949 ppm2 9.429 CV 1
ASSI { 8245} ( segid " " and resid 150 and name HG1%) (( segid " " and resid 141 and name HA )) 2.900 1.100 1.100 peak 8245 spectrum 1 weight 0.10000E+01 volume 0.34408E-02 ppm1 0.949 ppm2 5.243 CV 1
ASSI { 8247} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 141 and name HA )) 3.900 1.900 1.900 peak 8247 spectrum 1 weight 0.10000E+01 volume 0.18265E-02 ppm1 0.896 ppm2 5.241 CV 1
ASSI { 8249} ( segid " " and resid 150 and name HG2%) (( segid " " and resid 142 and name HN )) 2.300 2.300 3.700 peak 8249 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 0.896 ppm2 9.672 CV 1
ASSI { 1414} (( segid " " and resid 151 and name HB3 )) (( segid " " and resid 151 and name HA )) 2.800 1.000 1.000 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.17401E-02 ppm1 2.554 ppm2 5.042 CV 1
ASSI { 1417} (( segid " " and resid 151 and name HB2 )) (( segid " " and resid 151 and name HB3 )) 2.100 0.500 0.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.32114E-02 ppm1 3.014 ppm2 2.563 CV 1
ASSI { 1421} (( segid " " and resid 151 and name HA )) (( segid " " and resid 151 and name HB2 )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.21067E-02 ppm1 5.043 ppm2 3.025 CV 1
ASSI { 1596} (( segid " " and resid 151 and name HN )) (( segid " " and resid 140 and name HB3 )) 3.600 1.600 1.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.52140E-03 ppm1 8.750 ppm2 2.337 CV 1
ASSI { 1598} (( segid " " and resid 151 and name HN )) (( segid " " and resid 63 and name HG )) 4.800 2.900 1.200 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.33927E-03 ppm1 8.750 ppm2 1.296 CV 1
ASSI { 235} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HN )) 4.000 2.000 2.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.55209E-03 ppm1 8.750 ppm2 9.264 CV 1
ASSI { 237} (( segid " " and resid 151 and name HN )) ( segid " " and resid 151 and name HD% ) 3.100 1.200 1.200 peak 237 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 8.750 ppm2 6.859 CV 1
ASSI { 239} (( segid " " and resid 151 and name HN )) (( segid " " and resid 150 and name HA )) 2.200 0.600 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50476E-02 ppm1 8.750 ppm2 5.031 CV 1
ASSI { 241} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB2 )) 3.100 1.200 1.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.15923E-02 ppm1 8.750 ppm2 2.982 CV 1
ASSI { 242} (( segid " " and resid 151 and name HN )) (( segid " " and resid 151 and name HB3 )) 2.900 1.000 1.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.14316E-02 ppm1 8.750 ppm2 2.516 CV 1
ASSI { 4472} (( segid " " and resid 151 and name HA )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 5.043 ppm2 5.444 CV 1
ASSI { 4473} (( segid " " and resid 151 and name HA )) ( segid " " and resid 150 and name HG2%) 2.600 0.900 0.900 peak 4473 spectrum 1 weight 0.10000E+01 volume 0.34052E-02 ppm1 5.043 ppm2 0.882 CV 1
ASSI { 7112} (( segid " " and resid 151 and name HB3 )) ( segid " " and resid 63 and name HD2%) 4.100 2.100 1.900 peak 7112 spectrum 1 weight 0.10000E+01 volume 0.55059E-03 ppm1 2.520 ppm2 -0.044 CV 1
ASSI { 8251} (( segid " " and resid 151 and name HA )) (( segid " " and resid 63 and name HG )) 3.500 1.500 1.500 peak 8251 spectrum 1 weight 0.10000E+01 volume 0.18063E-02 ppm1 5.043 ppm2 1.338 CV 1
ASSI { 8252} (( segid " " and resid 151 and name HA )) ( segid " " and resid 151 and name HD% ) 3.200 1.300 1.300 peak 8252 spectrum 1 weight 0.10000E+01 volume 0.22667E-02 ppm1 5.043 ppm2 6.854 CV 1
ASSI { 1599} (( segid " " and resid 152 and name HN )) (( segid " " and resid 139 and name HN )) 5.900 4.400 0.100 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.43310E-04 ppm1 8.650 ppm2 10.042 CV 1
ASSI { 1600} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB2 )) 4.000 2.000 2.000 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.32738E-03 ppm1 8.650 ppm2 2.962 CV 1
ASSI { 1714} (( segid " " and resid 152 and name HN )) (( segid " " and resid 64 and name HN )) 4.600 2.600 1.400 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.59226E-03 ppm1 8.650 ppm2 8.906 CV 1
ASSI { 1833} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HB3 )) 2.700 0.900 0.900 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.26185E-02 ppm1 5.006 ppm2 1.284 CV 1
ASSI { 1838} (( segid " " and resid 152 and name HB2 )) (( segid " " and resid 152 and name HB3 )) 2.400 0.700 0.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.24724E-02 ppm1 1.327 ppm2 1.276 CV 1
ASSI { 1840} (( segid " " and resid 152 and name HB3 )) ( segid " " and resid 152 and name HD2%) 3.000 1.200 1.200 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.32509E-02 ppm1 1.308 ppm2 0.697 CV 1
ASSI { 1846} (( segid " " and resid 152 and name HG )) (( segid " " and resid 152 and name HA )) 3.200 1.300 1.300 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.19357E-02 ppm1 1.378 ppm2 5.008 CV 1
ASSI { 1850} (( segid " " and resid 152 and name HG )) ( segid " " and resid 152 and name HD2%) 2.400 0.700 0.700 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.65850E-02 ppm1 1.378 ppm2 0.696 CV 1
ASSI { 1856} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HA )) 2.300 0.700 0.700 peak 1856 spectrum 1 weight 0.10000E+01 volume 0.82991E-02 ppm1 0.798 ppm2 5.009 CV 1
ASSI { 1858} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HB3 )) 2.200 0.600 0.600 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.13374E-01 ppm1 0.796 ppm2 1.306 CV 1
ASSI { 1860} ( segid " " and resid 152 and name HD1%) ( segid " " and resid 152 and name HD2%) 1.900 0.400 0.400 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.35415E-01 ppm1 0.798 ppm2 0.683 CV 1
ASSI { 1966} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 152 and name HD1%) 3.800 1.800 1.800 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.73203E-03 ppm1 1.392 ppm2 0.807 CV 1
ASSI { 1967} (( segid " " and resid 152 and name HB2 )) ( segid " " and resid 152 and name HD2%) 3.400 1.400 1.400 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.91581E-03 ppm1 1.392 ppm2 0.688 CV 1
ASSI { 270} (( segid " " and resid 152 and name HN )) (( segid " " and resid 153 and name HN )) 3.900 1.900 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.67027E-03 ppm1 8.650 ppm2 8.190 CV 1
ASSI { 271} (( segid " " and resid 152 and name HN )) ( segid " " and resid 151 and name HD% ) 3.700 1.700 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.81302E-03 ppm1 8.650 ppm2 6.834 CV 1
ASSI { 272} (( segid " " and resid 152 and name HN )) (( segid " " and resid 63 and name HA )) 4.300 2.300 1.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.97853E-03 ppm1 8.650 ppm2 5.407 CV 1
ASSI { 273} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HA )) 2.300 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.44635E-02 ppm1 8.650 ppm2 5.018 CV 1
ASSI { 275} (( segid " " and resid 152 and name HN )) (( segid " " and resid 151 and name HB3 )) 4.200 2.200 1.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.60029E-03 ppm1 8.650 ppm2 2.529 CV 1
ASSI { 276} (( segid " " and resid 152 and name HN )) (( segid " " and resid 152 and name HB3 )) 3.100 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.27637E-02 ppm1 8.650 ppm2 1.314 CV 1
ASSI { 6136} (( segid " " and resid 152 and name HA )) (( segid " " and resid 152 and name HN )) 2.700 0.900 0.900 peak 6136 spectrum 1 weight 0.10000E+01 volume 0.28498E-02 ppm1 5.001 ppm2 8.672 CV 1
ASSI { 6249} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 139 and name HN )) 2.700 0.900 0.900 peak 6249 spectrum 1 weight 0.10000E+01 volume 0.37094E-02 ppm1 0.798 ppm2 10.058 CV 1
ASSI { 6260} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 152 and name HN )) 2.900 1.000 1.000 peak 6260 spectrum 1 weight 0.10000E+01 volume 0.42115E-02 ppm1 0.798 ppm2 8.672 CV 1
ASSI { 6261} ( segid " " and resid 152 and name HD1%) (( segid " " and resid 153 and name HN )) 2.900 1.000 1.000 peak 6261 spectrum 1 weight 0.10000E+01 volume 0.46343E-02 ppm1 0.798 ppm2 8.198 CV 1
ASSI { 1277} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HA )) 2.300 0.700 0.700 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.57337E-02 ppm1 8.172 ppm2 4.981 CV 1
ASSI { 1280} (( segid " " and resid 153 and name HN )) (( segid " " and resid 139 and name HN )) 2.600 2.600 3.400 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.54108E-03 ppm1 8.171 ppm2 10.076 CV 1
ASSI { 1284} (( segid " " and resid 153 and name HN )) (( segid " " and resid 138 and name HB2 )) 3.300 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 8.171 ppm2 2.920 CV 1
ASSI { 1286} (( segid " " and resid 153 and name HN )) (( segid " " and resid 152 and name HB3 )) 2.700 0.900 0.900 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.25323E-02 ppm1 8.171 ppm2 1.299 CV 1
ASSI { 1287} (( segid " " and resid 153 and name HN )) ( segid " " and resid 153 and name HG2%) 2.700 0.900 0.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.30778E-02 ppm1 8.171 ppm2 1.119 CV 1
ASSI { 1985} (( segid " " and resid 153 and name HA )) ( segid " " and resid 153 and name HG2%) 2.900 1.000 1.000 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.34069E-02 ppm1 4.204 ppm2 1.124 CV 1
ASSI { 1988} (( segid " " and resid 153 and name HB )) ( segid " " and resid 153 and name HG2%) 3.600 1.600 1.600 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.63426E-03 ppm1 4.073 ppm2 1.145 CV 1
ASSI { 4124} (( segid " " and resid 153 and name HB )) (( segid " " and resid 153 and name HG1 )) 3.300 1.300 1.300 peak 4124 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 4.107 ppm2 6.871 CV 1
ASSI { 4292} (( segid " " and resid 153 and name HA )) (( segid " " and resid 153 and name HN )) 2.400 0.700 0.700 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.61799E-02 ppm1 4.240 ppm2 8.195 CV 1
ASSI { 4295} (( segid " " and resid 153 and name HA )) ( segid " " and resid 61 and name HB% ) 2.500 0.800 0.800 peak 4295 spectrum 1 weight 0.10000E+01 volume 0.48577E-02 ppm1 4.228 ppm2 0.575 CV 1
ASSI { 6197} (( segid " " and resid 153 and name HA )) (( segid " " and resid 61 and name HA )) 2.700 0.900 0.900 peak 6197 spectrum 1 weight 0.10000E+01 volume 0.36877E-02 ppm1 4.245 ppm2 4.463 CV 1
ASSI { 7851} ( segid " " and resid 153 and name HG2%) (( segid " " and resid 56 and name HN )) 3.300 1.400 1.400 peak 7851 spectrum 1 weight 0.10000E+01 volume 0.11138E-02 ppm1 1.134 ppm2 7.590 CV 1
ASSI { 7852} ( segid " " and resid 153 and name HG2%) ( segid " " and resid 113 and name HD% ) 2.100 2.100 3.900 peak 7852 spectrum 1 weight 0.10000E+01 volume 0.18546E-02 ppm1 1.134 ppm2 7.124 CV 1
ASSI { 2053} (( segid " " and resid 154 and name HN )) (( segid " " and resid 57 and name HD3 )) 2.500 2.500 3.500 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.43287E-02 ppm1 8.106 ppm2 3.731 CV 1
ASSI { 2056} (( segid " " and resid 154 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.200 1.300 1.300 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.10123E-02 ppm1 8.106 ppm2 1.367 CV 1
ASSI { 2057} (( segid " " and resid 154 and name HN )) ( segid " " and resid 153 and name HG2%) 3.300 1.300 1.300 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.20591E-02 ppm1 8.106 ppm2 1.098 CV 1
ASSI { 2059} (( segid " " and resid 154 and name HN )) ( segid " " and resid 56 and name HD1%) 3.200 1.300 1.300 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.11175E-02 ppm1 8.106 ppm2 0.668 CV 1
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