NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
552584 |
2lsh   |
17596 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 743}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 51 and name HD1%)
6.000 5.000 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.999 ppm2 0.781 CV 1
OR { 743}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 51 and name HD1%)
OR { 743}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 47 and name HD2%)
ASSI { 745}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 745 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.892 ppm2 0.798 CV 1
OR { 745}
(( segid " " and resid 37 and name HB3 ))
( segid " " and resid 94 and name HG2%)
OR { 745}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 76 and name HD2%)
ASSI { 809}
(( segid " " and resid 44 and name HB3 ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.403 ppm2 0.829 CV 1
OR { 809}
(( segid " " and resid 44 and name HB3 ))
( segid " " and resid 79 and name HD2%)
ASSI { 828}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 67 and name HB3 ))
6.000 5.000 0.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.116 ppm2 2.501 CV 1
OR { 828}
( segid " " and resid 96 and name HB% )
(( segid " " and resid 105 and name HB3 ))
OR { 828}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 105 and name HB3 ))
ASSI { 831}
( segid " " and resid 96 and name HB% )
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.089 ppm2 0.791 CV 1
OR { 831}
( segid " " and resid 96 and name HB% )
( segid " " and resid 94 and name HG2%)
OR { 831}
( segid " " and resid 96 and name HB% )
( segid " " and resid 59 and name HD1%)
ASSI { 840}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 73 and name HG2%)
6.000 5.000 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.407 ppm2 0.721 CV 1
OR { 840}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 32 and name HD1%)
ASSI { 898}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 73 and name HG2%)
2.400 1.200 1.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.15777E-01 ppm1 0.239 ppm2 0.723 CV 1
OR { 898}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 82 and name HG1%)
ASSI { 911}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 51 and name HB3 ))
6.000 5.000 0.000 peak 911 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.000 ppm2 1.430 CV 1
OR { 911}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 51 and name HB3 ))
OR { 911}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 46 and name HG ))
ASSI { 920}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 56 and name HB2 ))
3.900 2.400 2.100 peak 920 spectrum 1 weight 0.10000E+01 volume 0.88225E-03 ppm1 4.873 ppm2 1.938 CV 1
OR { 920}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 99 and name HG3 ))
OR { 920}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 926}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HG2 ))
4.100 2.600 1.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.66573E-03 ppm1 4.838 ppm2 1.604 CV 1
OR { 926}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 72 and name HG ))
ASSI { 934}
(( segid " " and resid 105 and name HB3 ))
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.512 ppm2 1.113 CV 1
OR { 934}
(( segid " " and resid 105 and name HB3 ))
( segid " " and resid 33 and name HB% )
ASSI { 944}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 56 and name HA ))
2.900 1.600 1.600 peak 944 spectrum 1 weight 0.10000E+01 volume 0.47088E-02 ppm1 3.008 ppm2 4.681 CV 1
OR { 944}
(( segid " " and resid 69 and name HE2 ))
(( segid " " and resid 31 and name HA ))
OR { 944}
(( segid " " and resid 69 and name HE3 ))
(( segid " " and resid 31 and name HA ))
OR { 944}
(( segid " " and resid 57 and name HB2 ))
(( segid " " and resid 102 and name HA ))
OR { 944}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 31 and name HA ))
ASSI { 947}
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 947 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.009 ppm2 0.943 CV 1
OR { 947}
(( segid " " and resid 69 and name HE2 ))
( segid " " and resid 72 and name HD1%)
ASSI { 987}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 37 and name HB3 ))
3.600 2.100 2.100 peak 987 spectrum 1 weight 0.10000E+01 volume 0.14018E-02 ppm1 0.619 ppm2 3.898 CV 1
OR { 987}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 65 and name HB2 ))
ASSI { 991}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 74 and name HA ))
3.500 2.000 2.000 peak 991 spectrum 1 weight 0.10000E+01 volume 0.17996E-02 ppm1 0.680 ppm2 4.426 CV 1
OR { 991}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 81 and name HA ))
OR { 991}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 90 and name HA ))
ASSI { 994}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 89 and name HB3 ))
6.000 5.000 0.000 peak 994 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.708 ppm2 1.592 CV 1
OR { 994}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 78 and name HG ))
ASSI { 998}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 96 and name HA ))
3.200 1.700 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.31121E-02 ppm1 0.792 ppm2 5.086 CV 1
OR { 998}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 93 and name HA ))
ASSI { 1000}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 22 and name HA ))
6.000 5.000 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.485 ppm2 4.040 CV 1
OR { 1000}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 23 and name HA ))
ASSI { 1005}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 83 and name HA ))
3.600 2.100 2.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.15020E-02 ppm1 0.567 ppm2 5.038 CV 1
OR { 1005}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 88 and name HA1 ))
ASSI { 1008}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 14 and name HA ))
3.200 1.800 1.800 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.29498E-02 ppm1 1.596 ppm2 4.547 CV 1
OR { 1008}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 87 and name HA ))
OR { 1008}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 15 and name HB2 ))
ASSI { 1013}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 71 and name HB3 ))
6.000 5.000 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.476 ppm2 3.926 CV 1
OR { 1013}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 49 and name HA1 ))
OR { 1013}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 71 and name HB2 ))
OR { 1013}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 49 and name HA2 ))
ASSI { 1019}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.949 ppm2 1.833 CV 1
OR { 1019}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 116 and name HB2 ))
ASSI { 1023}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 79 and name HB3 ))
6.000 5.000 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.774 ppm2 1.619 CV 1
OR { 1023}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 92 and name HD2 ))
ASSI { 1028}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 48 and name HA ))
3.000 1.700 1.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.38699E-02 ppm1 1.308 ppm2 3.914 CV 1
OR { 1028}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 41 and name HA ))
ASSI { 1029}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 65 and name HA ))
3.200 1.800 1.800 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.28685E-02 ppm1 1.312 ppm2 4.143 CV 1
OR { 1029}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 51 and name HA ))
ASSI { 1033}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 34 and name HB2 ))
3.800 2.300 2.200 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.94986E-03 ppm1 1.183 ppm2 3.793 CV 1
OR { 1033}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 70 and name HA ))
ASSI { 1040}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 32 and name HG12))
3.700 2.200 2.200 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.11772E-02 ppm1 0.238 ppm2 1.623 CV 1
OR { 1040}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 11 and name HD2 ))
ASSI { 1052}
( segid " " and resid 51 and name HD1%)
( segid " " and resid 41 and name HG2%)
6.000 5.000 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.761 ppm2 1.085 CV 1
OR { 1052}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 96 and name HB% )
ASSI { 251}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HA ))
1.900 1.000 1.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.31272E-01 ppm1 8.449 ppm2 4.680 CV 1
OR { 251}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HA ))
ASSI { 624}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 102 and name HA ))
6.000 5.000 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.941 ppm2 4.681 CV 1
OR { 624}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 56 and name HA ))
ASSI { 685}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 73 and name HD1%)
3.000 1.700 1.700 peak 685 spectrum 1 weight 0.10000E+01 volume 0.20414E-02 ppm1 7.934 ppm2 0.700 CV 1
OR { 685}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 81 and name HD2%)
ASSI { 693}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 95 and name HG2%)
4.100 2.600 1.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.34067E-03 ppm1 9.695 ppm2 0.922 CV 1
OR { 693}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 95 and name HG1%)
OR { 693}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 12 and name HG ))
ASSI { 740}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HG3 ))
2.300 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.10142E-01 ppm1 8.569 ppm2 2.319 CV 1
OR { 740}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HB2 ))
OR { 740}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HG2 ))
ASSI { 963}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 17 and name HB% )
3.000 1.600 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.22169E-02 ppm1 7.778 ppm2 0.952 CV 1
OR { 963}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 17 and name HB% )
ASSI { 1004}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.200 0.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.30491E-04 ppm1 8.566 ppm2 0.976 CV 1
OR { 1004}
(( segid " " and resid 100 and name HN ))
( segid " " and resid 29 and name HG2%)
ASSI { 1113}
(( segid " " and resid 9 and name HD22))
( segid " " and resid 10 and name HB% )
6.000 5.000 0.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.946 ppm2 1.383 CV 1
OR { 1113}
(( segid " " and resid 9 and name HD22))
( segid " " and resid 6 and name HB% )
OR { 1113}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 8 and name HG2 ))
ASSI { 1114}
(( segid " " and resid 9 and name HD21))
( segid " " and resid 10 and name HB% )
6.000 5.000 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.630 ppm2 1.381 CV 1
OR { 1114}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 8 and name HG2 ))
ASSI { 1145}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.446 ppm2 0.945 CV 1
OR { 1145}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 17 and name HB% )
ASSI { 1158}
(( segid " " and resid 21 and name HN ))
( segid " " and resid 22 and name HB% )
2.800 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.36603E-02 ppm1 7.779 ppm2 1.014 CV 1
OR { 1158}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 22 and name HB% )
ASSI { 1192}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.690 ppm2 1.911 CV 1
OR { 1192}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 47 and name HG ))
ASSI { 1258}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.692 ppm2 0.787 CV 1
OR { 1258}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 59 and name HD1%)
OR { 1258}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 94 and name HG2%)
ASSI { 1}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB ))
6.000 5.000 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.844 ppm2 2.116 CV 1
ASSI { 2}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG1%)
6.000 5.000 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.847 ppm2 1.010 CV 1
ASSI { 3}
(( segid " " and resid 29 and name HA ))
( segid " " and resid 29 and name HG2%)
6.000 5.000 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.840 ppm2 0.987 CV 1
ASSI { 6}
(( segid " " and resid 29 and name HB ))
( segid " " and resid 29 and name HG2%)
6.000 5.000 0.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.109 ppm2 0.987 CV 1
ASSI { 8}
( segid " " and resid 29 and name HG1%)
(( segid " " and resid 29 and name HB ))
2.800 1.400 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.70091E-02 ppm1 1.003 ppm2 2.113 CV 1
ASSI { 9}
( segid " " and resid 29 and name HG1%)
( segid " " and resid 29 and name HG2%)
6.000 5.000 0.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.021 ppm2 0.986 CV 1
ASSI { 14}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HG12))
6.000 5.000 0.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.739 ppm2 1.625 CV 1
ASSI { 15}
(( segid " " and resid 32 and name HA ))
(( segid " " and resid 32 and name HG13))
6.000 5.000 0.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.733 ppm2 1.205 CV 1
ASSI { 18}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HG12))
2.700 1.400 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.83078E-02 ppm1 1.901 ppm2 1.623 CV 1
ASSI { 19}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HG13))
2.400 1.200 1.200 peak 19 spectrum 1 weight 0.10000E+01 volume 0.14830E-01 ppm1 1.896 ppm2 1.197 CV 1
ASSI { 20}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HD1%)
2.300 1.200 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19431E-01 ppm1 1.904 ppm2 0.721 CV 1
ASSI { 21}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 32 and name HG2%)
2.100 1.100 1.100 peak 21 spectrum 1 weight 0.10000E+01 volume 0.31663E-01 ppm1 1.899 ppm2 1.002 CV 1
ASSI { 24}
(( segid " " and resid 32 and name HG12))
( segid " " and resid 32 and name HG2%)
6.000 5.000 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.625 ppm2 1.002 CV 1
ASSI { 26}
(( segid " " and resid 32 and name HG13))
(( segid " " and resid 32 and name HG12))
6.000 5.000 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.205 ppm2 1.626 CV 1
ASSI { 27}
(( segid " " and resid 32 and name HG13))
( segid " " and resid 32 and name HD1%)
2.700 1.400 1.400 peak 27 spectrum 1 weight 0.10000E+01 volume 0.80371E-02 ppm1 1.198 ppm2 0.739 CV 1
ASSI { 30}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HG12))
2.500 1.300 1.300 peak 30 spectrum 1 weight 0.10000E+01 volume 0.13693E-01 ppm1 0.719 ppm2 1.633 CV 1
ASSI { 35}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HG13))
2.400 1.200 1.200 peak 35 spectrum 1 weight 0.10000E+01 volume 0.17780E-01 ppm1 1.000 ppm2 1.206 CV 1
ASSI { 36}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 32 and name HD1%)
2.200 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.30580E-01 ppm1 1.001 ppm2 0.725 CV 1
ASSI { 37}
(( segid " " and resid 33 and name HA ))
( segid " " and resid 33 and name HB% )
2.600 1.300 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.10094E-01 ppm1 5.020 ppm2 1.133 CV 1
ASSI { 39}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
6.000 5.000 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.966 ppm2 3.782 CV 1
ASSI { 40}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
6.000 5.000 0.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.968 ppm2 2.374 CV 1
ASSI { 43}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB2 ))
6.000 5.000 0.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.024 ppm2 2.913 CV 1
ASSI { 44}
(( segid " " and resid 35 and name HA ))
(( segid " " and resid 35 and name HB3 ))
6.000 5.000 0.000 peak 44 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.021 ppm2 2.606 CV 1
ASSI { 47}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB2 ))
2.700 1.400 1.400 peak 47 spectrum 1 weight 0.10000E+01 volume 0.72797E-02 ppm1 5.374 ppm2 2.719 CV 1
ASSI { 48}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 36 and name HB3 ))
2.900 1.600 1.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.46546E-02 ppm1 5.378 ppm2 2.530 CV 1
ASSI { 51}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB2 ))
6.000 5.000 0.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.378 ppm2 4.253 CV 1
ASSI { 52}
(( segid " " and resid 37 and name HA ))
(( segid " " and resid 37 and name HB3 ))
6.000 5.000 0.000 peak 52 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.377 ppm2 3.901 CV 1
ASSI { 55}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HB% )
2.200 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.24193E-01 ppm1 3.789 ppm2 1.218 CV 1
ASSI { 57}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB3 ))
6.000 5.000 0.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.155 ppm2 3.896 CV 1
OR { 57}
(( segid " " and resid 71 and name HA ))
(( segid " " and resid 71 and name HB2 ))
ASSI { 59}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
6.000 5.000 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 1.859 CV 1
ASSI { 60}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.289 ppm2 1.643 CV 1
ASSI { 61}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HG ))
6.000 5.000 0.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 1.594 CV 1
ASSI { 62}
(( segid " " and resid 72 and name HA ))
( segid " " and resid 72 and name HD1%)
6.000 5.000 0.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.293 ppm2 0.938 CV 1
ASSI { 65}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 65 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 1.643 CV 1
ASSI { 66}
(( segid " " and resid 72 and name HB2 ))
(( segid " " and resid 72 and name HG ))
6.000 5.000 0.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.856 ppm2 1.596 CV 1
ASSI { 67}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HD1%)
6.000 5.000 0.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.861 ppm2 0.937 CV 1
ASSI { 68}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.857 ppm2 0.989 CV 1
ASSI { 70}
(( segid " " and resid 72 and name HB3 ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.642 ppm2 0.990 CV 1
ASSI { 72}
(( segid " " and resid 72 and name HG ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.591 ppm2 0.990 CV 1
ASSI { 75}
( segid " " and resid 72 and name HD1%)
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.941 ppm2 0.988 CV 1
ASSI { 76}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 72 and name HA ))
2.000 1.000 1.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.44382E-01 ppm1 0.982 ppm2 4.295 CV 1
ASSI { 80}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 72 and name HB2 ))
6.000 5.000 0.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.245 ppm2 1.865 CV 1
ASSI { 81}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 73 and name HG2%)
2.000 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.43299E-01 ppm1 3.245 ppm2 0.706 CV 1
ASSI { 82}
(( segid " " and resid 73 and name HB ))
(( segid " " and resid 73 and name HA ))
6.000 5.000 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.909 ppm2 3.248 CV 1
ASSI { 83}
(( segid " " and resid 73 and name HB ))
( segid " " and resid 73 and name HG2%)
6.000 5.000 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.908 ppm2 0.706 CV 1
ASSI { 84}
(( segid " " and resid 73 and name HG12))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.725 ppm2 0.692 CV 1
ASSI { 85}
(( segid " " and resid 73 and name HG13))
( segid " " and resid 73 and name HD1%)
6.000 5.000 0.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 0.693 CV 1
ASSI { 86}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 73 and name HB ))
6.000 5.000 0.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.685 ppm2 1.892 CV 1
ASSI { 91}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB2 ))
2.600 1.400 1.400 peak 91 spectrum 1 weight 0.10000E+01 volume 0.90925E-02 ppm1 4.428 ppm2 2.702 CV 1
ASSI { 92}
(( segid " " and resid 74 and name HA ))
(( segid " " and resid 74 and name HB3 ))
2.400 1.200 1.200 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14884E-01 ppm1 4.427 ppm2 2.530 CV 1
ASSI { 94}
(( segid " " and resid 74 and name HB2 ))
(( segid " " and resid 74 and name HB3 ))
6.000 5.000 0.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.717 ppm2 2.551 CV 1
ASSI { 97}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HA ))
6.000 5.000 0.000 peak 97 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.266 ppm2 4.074 CV 1
ASSI { 98}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HB3 ))
6.000 5.000 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.263 ppm2 2.074 CV 1
ASSI { 99}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HG2 ))
6.000 5.000 0.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.267 ppm2 2.484 CV 1
ASSI { 100}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 75 and name HG3 ))
6.000 5.000 0.000 peak 100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.268 ppm2 2.331 CV 1
ASSI { 101}
(( segid " " and resid 75 and name HB3 ))
(( segid " " and resid 75 and name HA ))
6.000 5.000 0.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.072 ppm2 4.076 CV 1
ASSI { 103}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HA ))
2.800 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.70361E-02 ppm1 2.481 ppm2 4.077 CV 1
ASSI { 105}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HB3 ))
2.700 1.400 1.400 peak 105 spectrum 1 weight 0.10000E+01 volume 0.85786E-02 ppm1 2.484 ppm2 2.066 CV 1
ASSI { 106}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 75 and name HG3 ))
6.000 5.000 0.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.488 ppm2 2.329 CV 1
ASSI { 107}
(( segid " " and resid 75 and name HG3 ))
(( segid " " and resid 75 and name HA ))
2.400 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16670E-01 ppm1 2.326 ppm2 4.076 CV 1
ASSI { 109}
(( segid " " and resid 75 and name HG3 ))
(( segid " " and resid 75 and name HB3 ))
6.000 5.000 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.342 ppm2 2.075 CV 1
ASSI { 111}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.375 ppm2 1.638 CV 1
ASSI { 112}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB3 ))
6.000 5.000 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.372 ppm2 1.530 CV 1
ASSI { 113}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.372 ppm2 0.807 CV 1
ASSI { 114}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 76 and name HD2%)
6.000 5.000 0.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.373 ppm2 0.787 CV 1
ASSI { 115}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.637 ppm2 0.811 CV 1
ASSI { 116}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 76 and name HD2%)
6.000 5.000 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.631 ppm2 0.786 CV 1
ASSI { 117}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB2 ))
6.000 5.000 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.574 ppm2 1.842 CV 1
ASSI { 118}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB3 ))
6.000 5.000 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.577 ppm2 1.278 CV 1
ASSI { 119}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HG ))
6.000 5.000 0.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.565 ppm2 1.578 CV 1
ASSI { 120}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 78 and name HD1%)
6.000 5.000 0.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.577 ppm2 0.624 CV 1
ASSI { 123}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 78 and name HD2%)
6.000 5.000 0.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.842 ppm2 0.653 CV 1
ASSI { 126}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 78 and name HD2%)
6.000 5.000 0.000 peak 126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.286 ppm2 0.653 CV 1
ASSI { 130}
(( segid " " and resid 78 and name HG ))
( segid " " and resid 78 and name HD2%)
6.000 5.000 0.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 0.645 CV 1
ASSI { 132}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HB2 ))
2.800 1.500 1.500 peak 132 spectrum 1 weight 0.10000E+01 volume 0.57912E-02 ppm1 0.619 ppm2 1.848 CV 1
ASSI { 133}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HG ))
2.500 1.300 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.12259E-01 ppm1 0.620 ppm2 1.580 CV 1
ASSI { 134}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 78 and name HD2%)
1.800 0.900 0.900 peak 134 spectrum 1 weight 0.10000E+01 volume 0.80371E-01 ppm1 0.620 ppm2 0.638 CV 1
ASSI { 135}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 78 and name HA ))
2.500 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.12422E-01 ppm1 0.642 ppm2 4.577 CV 1
ASSI { 138}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB2 ))
6.000 5.000 0.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.863 ppm2 1.737 CV 1
ASSI { 139}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB3 ))
6.000 5.000 0.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.863 ppm2 1.626 CV 1
ASSI { 140}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 79 and name HD1%)
6.000 5.000 0.000 peak 140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.864 ppm2 0.958 CV 1
ASSI { 141}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 79 and name HD2%)
6.000 5.000 0.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.863 ppm2 0.827 CV 1
ASSI { 143}
(( segid " " and resid 79 and name HB2 ))
(( segid " " and resid 79 and name HB3 ))
6.000 5.000 0.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.731 ppm2 1.625 CV 1
ASSI { 144}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 79 and name HD1%)
6.000 5.000 0.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.739 ppm2 0.954 CV 1
ASSI { 145}
(( segid " " and resid 79 and name HB2 ))
( segid " " and resid 79 and name HD2%)
6.000 5.000 0.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.737 ppm2 0.827 CV 1
ASSI { 147}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 79 and name HD1%)
6.000 5.000 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.620 ppm2 0.954 CV 1
ASSI { 148}
(( segid " " and resid 79 and name HB3 ))
( segid " " and resid 79 and name HD2%)
6.000 5.000 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.622 ppm2 0.827 CV 1
ASSI { 149}
(( segid " " and resid 79 and name HG ))
(( segid " " and resid 79 and name HA ))
6.000 5.000 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 3.868 CV 1
ASSI { 150}
(( segid " " and resid 79 and name HG ))
( segid " " and resid 79 and name HD2%)
6.000 5.000 0.000 peak 150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 0.828 CV 1
ASSI { 152}
( segid " " and resid 79 and name HD2%)
( segid " " and resid 79 and name HD1%)
6.000 5.000 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.826 ppm2 0.957 CV 1
ASSI { 153}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB2 ))
6.000 5.000 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.415 ppm2 1.864 CV 1
ASSI { 154}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HB3 ))
6.000 5.000 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.416 ppm2 1.531 CV 1
ASSI { 155}
(( segid " " and resid 81 and name HA ))
(( segid " " and resid 81 and name HG ))
6.000 5.000 0.000 peak 155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.413 ppm2 1.415 CV 1
ASSI { 158}
(( segid " " and resid 81 and name HB2 ))
( segid " " and resid 81 and name HD1%)
6.000 5.000 0.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.839 ppm2 0.883 CV 1
ASSI { 161}
(( segid " " and resid 81 and name HB3 ))
( segid " " and resid 81 and name HD1%)
6.000 5.000 0.000 peak 161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.515 ppm2 0.892 CV 1
ASSI { 162}
(( segid " " and resid 81 and name HB3 ))
( segid " " and resid 81 and name HD2%)
6.000 5.000 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.518 ppm2 0.698 CV 1
ASSI { 164}
(( segid " " and resid 81 and name HG ))
( segid " " and resid 81 and name HD2%)
6.000 5.000 0.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.417 ppm2 0.699 CV 1
ASSI { 165}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 81 and name HA ))
6.000 5.000 0.000 peak 165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.886 ppm2 4.419 CV 1
ASSI { 166}
( segid " " and resid 81 and name HD1%)
(( segid " " and resid 81 and name HG ))
6.000 5.000 0.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.878 ppm2 1.420 CV 1
ASSI { 167}
( segid " " and resid 81 and name HD1%)
( segid " " and resid 81 and name HD2%)
6.000 5.000 0.000 peak 167 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.881 ppm2 0.699 CV 1
ASSI { 168}
( segid " " and resid 81 and name HD2%)
(( segid " " and resid 81 and name HA ))
2.200 1.100 1.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.23869E-01 ppm1 0.694 ppm2 4.419 CV 1
ASSI { 171}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB ))
2.300 1.200 1.200 peak 171 spectrum 1 weight 0.10000E+01 volume 0.18619E-01 ppm1 5.059 ppm2 2.076 CV 1
ASSI { 177}
( segid " " and resid 82 and name HG1%)
(( segid " " and resid 82 and name HA ))
2.500 1.300 1.300 peak 177 spectrum 1 weight 0.10000E+01 volume 0.11393E-01 ppm1 0.729 ppm2 5.063 CV 1
ASSI { 178}
( segid " " and resid 82 and name HG1%)
(( segid " " and resid 82 and name HB ))
2.300 1.200 1.200 peak 178 spectrum 1 weight 0.10000E+01 volume 0.19133E-01 ppm1 0.728 ppm2 2.067 CV 1
ASSI { 179}
( segid " " and resid 82 and name HG1%)
( segid " " and resid 82 and name HG2%)
6.000 5.000 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.728 ppm2 0.781 CV 1
ASSI { 180}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HA ))
2.600 1.300 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10608E-01 ppm1 0.772 ppm2 5.045 CV 1
ASSI { 181}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 82 and name HB ))
2.400 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.14992E-01 ppm1 0.776 ppm2 2.068 CV 1
ASSI { 183}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB2 ))
6.000 5.000 0.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.017 ppm2 2.422 CV 1
ASSI { 184}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB3 ))
2.300 1.100 1.100 peak 184 spectrum 1 weight 0.10000E+01 volume 0.22191E-01 ppm1 5.017 ppm2 2.118 CV 1
ASSI { 186}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 83 and name HB3 ))
2.200 1.100 1.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.29498E-01 ppm1 2.418 ppm2 2.116 CV 1
ASSI { 189}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB ))
2.100 1.100 1.100 peak 189 spectrum 1 weight 0.10000E+01 volume 0.34639E-01 ppm1 4.857 ppm2 4.458 CV 1
ASSI { 190}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HG2%)
2.100 1.000 1.000 peak 190 spectrum 1 weight 0.10000E+01 volume 0.37346E-01 ppm1 4.857 ppm2 1.159 CV 1
ASSI { 192}
(( segid " " and resid 85 and name HB ))
( segid " " and resid 85 and name HG2%)
2.200 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.29768E-01 ppm1 4.447 ppm2 1.163 CV 1
ASSI { 194}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB2 ))
6.000 5.000 0.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.141 CV 1
ASSI { 195}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB3 ))
6.000 5.000 0.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.074 CV 1
ASSI { 196}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HG2 ))
6.000 5.000 0.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.385 CV 1
ASSI { 197}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HG3 ))
6.000 5.000 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.350 CV 1
ASSI { 199}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HB2 ))
6.000 5.000 0.000 peak 199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.391 ppm2 2.139 CV 1
ASSI { 200}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HB3 ))
6.000 5.000 0.000 peak 200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.383 ppm2 2.070 CV 1
ASSI { 201}
(( segid " " and resid 86 and name HG2 ))
(( segid " " and resid 86 and name HG3 ))
6.000 5.000 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.391 ppm2 2.352 CV 1
ASSI { 203}
(( segid " " and resid 86 and name HG3 ))
(( segid " " and resid 86 and name HB2 ))
6.000 5.000 0.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.348 ppm2 2.139 CV 1
ASSI { 204}
(( segid " " and resid 86 and name HG3 ))
(( segid " " and resid 86 and name HB3 ))
6.000 5.000 0.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.341 ppm2 2.070 CV 1
ASSI { 207}
(( segid " " and resid 87 and name HA ))
(( segid " " and resid 87 and name HB3 ))
2.300 1.100 1.100 peak 207 spectrum 1 weight 0.10000E+01 volume 0.22001E-01 ppm1 4.533 ppm2 1.681 CV 1
ASSI { 209}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HA ))
2.600 1.300 1.300 peak 209 spectrum 1 weight 0.10000E+01 volume 0.10635E-01 ppm1 2.352 ppm2 4.537 CV 1
ASSI { 210}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HB3 ))
6.000 5.000 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.349 ppm2 1.687 CV 1
ASSI { 211}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HG2 ))
6.000 5.000 0.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.354 ppm2 2.219 CV 1
OR { 211}
(( segid " " and resid 87 and name HB2 ))
(( segid " " and resid 87 and name HG3 ))
ASSI { 215}
(( segid " " and resid 87 and name HG3 ))
(( segid " " and resid 87 and name HA ))
2.000 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.46546E-01 ppm1 2.205 ppm2 4.531 CV 1
OR { 215}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 87 and name HA ))
ASSI { 217}
(( segid " " and resid 87 and name HG3 ))
(( segid " " and resid 87 and name HB3 ))
2.200 1.100 1.100 peak 217 spectrum 1 weight 0.10000E+01 volume 0.28956E-01 ppm1 2.208 ppm2 1.683 CV 1
OR { 217}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 87 and name HB3 ))
ASSI { 218}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HB2 ))
2.400 1.200 1.200 peak 218 spectrum 1 weight 0.10000E+01 volume 0.16047E-01 ppm1 5.215 ppm2 1.814 CV 1
ASSI { 219}
(( segid " " and resid 89 and name HA ))
(( segid " " and resid 89 and name HB3 ))
2.600 1.300 1.300 peak 219 spectrum 1 weight 0.10000E+01 volume 0.10582E-01 ppm1 5.217 ppm2 1.602 CV 1
ASSI { 222}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HB2 ))
6.000 5.000 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.579 ppm2 1.822 CV 1
ASSI { 223}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HG2 ))
6.000 5.000 0.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.578 ppm2 1.760 CV 1
OR { 223}
(( segid " " and resid 89 and name HB3 ))
(( segid " " and resid 89 and name HG3 ))
ASSI { 224}
(( segid " " and resid 89 and name HG3 ))
(( segid " " and resid 89 and name HA ))
6.000 5.000 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.767 ppm2 5.225 CV 1
OR { 224}
(( segid " " and resid 89 and name HG2 ))
(( segid " " and resid 89 and name HA ))
ASSI { 225}
(( segid " " and resid 89 and name HG3 ))
(( segid " " and resid 89 and name HD2 ))
6.000 5.000 0.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.758 ppm2 3.640 CV 1
OR { 225}
(( segid " " and resid 89 and name HG2 ))
(( segid " " and resid 89 and name HD2 ))
ASSI { 226}
(( segid " " and resid 89 and name HG2 ))
(( segid " " and resid 89 and name HD3 ))
6.000 5.000 0.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.760 ppm2 3.568 CV 1
OR { 226}
(( segid " " and resid 89 and name HG3 ))
(( segid " " and resid 89 and name HD3 ))
ASSI { 227}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HB ))
2.400 1.200 1.200 peak 227 spectrum 1 weight 0.10000E+01 volume 0.18186E-01 ppm1 4.429 ppm2 2.220 CV 1
ASSI { 228}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 90 and name HG1%)
6.000 5.000 0.000 peak 228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.429 ppm2 0.687 CV 1
ASSI { 232}
(( segid " " and resid 90 and name HB ))
( segid " " and resid 90 and name HG2%)
6.000 5.000 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.217 ppm2 0.573 CV 1
ASSI { 234}
( segid " " and resid 90 and name HG1%)
(( segid " " and resid 90 and name HB ))
2.400 1.200 1.200 peak 234 spectrum 1 weight 0.10000E+01 volume 0.16047E-01 ppm1 0.682 ppm2 2.214 CV 1
ASSI { 235}
( segid " " and resid 90 and name HG1%)
( segid " " and resid 90 and name HG2%)
6.000 5.000 0.000 peak 235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.687 ppm2 0.573 CV 1
ASSI { 236}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 90 and name HA ))
2.600 1.300 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.10798E-01 ppm1 0.565 ppm2 4.440 CV 1
ASSI { 239}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HB2 ))
2.500 1.300 1.300 peak 239 spectrum 1 weight 0.10000E+01 volume 0.11203E-01 ppm1 4.933 ppm2 3.157 CV 1
ASSI { 240}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HB3 ))
6.000 5.000 0.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.937 ppm2 2.470 CV 1
ASSI { 243}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
6.000 5.000 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.766 ppm2 1.498 CV 1
ASSI { 244}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.766 ppm2 1.294 CV 1
ASSI { 245}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 1.624 CV 1
ASSI { 246}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.762 ppm2 1.562 CV 1
ASSI { 247}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.766 ppm2 1.294 CV 1
ASSI { 248}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG3 ))
6.000 5.000 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 1.260 CV 1
ASSI { 249}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HE3 ))
3.400 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.20378E-02 ppm1 3.768 ppm2 2.954 CV 1
OR { 249}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HE2 ))
ASSI { 251}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 251 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.495 ppm2 1.285 CV 1
ASSI { 252}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.492 ppm2 1.627 CV 1
ASSI { 253}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.499 ppm2 1.568 CV 1
ASSI { 254}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HE2 ))
6.000 5.000 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.498 ppm2 2.957 CV 1
OR { 254}
(( segid " " and resid 92 and name HB2 ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 256}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.309 ppm2 1.621 CV 1
ASSI { 257}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.304 ppm2 1.566 CV 1
ASSI { 258}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.311 ppm2 1.285 CV 1
ASSI { 259}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HE2 ))
6.000 5.000 0.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.308 ppm2 2.955 CV 1
OR { 259}
(( segid " " and resid 92 and name HB3 ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 263}
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HE2 ))
6.000 5.000 0.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.286 ppm2 2.954 CV 1
OR { 263}
(( segid " " and resid 92 and name HG2 ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 266}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB2 ))
2.600 1.300 1.300 peak 266 spectrum 1 weight 0.10000E+01 volume 0.10960E-01 ppm1 5.068 ppm2 3.190 CV 1
ASSI { 267}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 93 and name HB3 ))
2.400 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.14235E-01 ppm1 5.068 ppm2 2.970 CV 1
ASSI { 271}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HB ))
6.000 5.000 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 1.527 CV 1
ASSI { 272}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HG12))
6.000 5.000 0.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.174 ppm2 1.386 CV 1
ASSI { 273}
(( segid " " and resid 94 and name HA ))
(( segid " " and resid 94 and name HG13))
6.000 5.000 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.164 ppm2 1.013 CV 1
ASSI { 277}
(( segid " " and resid 94 and name HB ))
(( segid " " and resid 94 and name HG12))
6.000 5.000 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.529 ppm2 1.390 CV 1
ASSI { 278}
(( segid " " and resid 94 and name HB ))
( segid " " and resid 94 and name HD1%)
6.000 5.000 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.527 ppm2 0.624 CV 1
ASSI { 279}
(( segid " " and resid 94 and name HB ))
( segid " " and resid 94 and name HG2%)
6.000 5.000 0.000 peak 279 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.529 ppm2 0.796 CV 1
ASSI { 282}
(( segid " " and resid 94 and name HG12))
( segid " " and resid 94 and name HD1%)
6.000 5.000 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.387 ppm2 0.625 CV 1
ASSI { 283}
(( segid " " and resid 94 and name HG12))
( segid " " and resid 94 and name HG2%)
6.000 5.000 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.393 ppm2 0.797 CV 1
ASSI { 286}
(( segid " " and resid 94 and name HG13))
( segid " " and resid 94 and name HG2%)
6.000 5.000 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.014 ppm2 0.797 CV 1
ASSI { 287}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HA ))
2.900 1.500 1.500 peak 287 spectrum 1 weight 0.10000E+01 volume 0.51959E-02 ppm1 0.620 ppm2 4.186 CV 1
ASSI { 290}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 94 and name HG13))
2.500 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.13206E-01 ppm1 0.618 ppm2 1.016 CV 1
ASSI { 291}
( segid " " and resid 94 and name HD1%)
( segid " " and resid 94 and name HG2%)
6.000 5.000 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.624 ppm2 0.796 CV 1
ASSI { 292}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 94 and name HA ))
2.500 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11609E-01 ppm1 0.796 ppm2 4.173 CV 1
ASSI { 297}
(( segid " " and resid 95 and name HA ))
(( segid " " and resid 95 and name HB ))
6.000 5.000 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.843 ppm2 1.904 CV 1
ASSI { 298}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.842 ppm2 0.909 CV 1
ASSI { 299}
(( segid " " and resid 95 and name HA ))
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.842 ppm2 0.939 CV 1
ASSI { 301}
(( segid " " and resid 95 and name HB ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.906 ppm2 0.908 CV 1
ASSI { 302}
(( segid " " and resid 95 and name HB ))
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.907 ppm2 0.938 CV 1
ASSI { 305}
( segid " " and resid 95 and name HG1%)
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.904 ppm2 0.936 CV 1
ASSI { 308}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 96 and name HB% )
2.100 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.36534E-01 ppm1 5.087 ppm2 1.105 CV 1
ASSI { 310}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB2 ))
2.400 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.15452E-01 ppm1 5.192 ppm2 3.025 CV 1
ASSI { 311}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 97 and name HB3 ))
2.400 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.17049E-01 ppm1 5.192 ppm2 2.676 CV 1
ASSI { 314}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB2 ))
6.000 5.000 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.175 ppm2 3.147 CV 1
ASSI { 315}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 98 and name HB3 ))
6.000 5.000 0.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.174 ppm2 2.784 CV 1
ASSI { 318}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HB2 ))
2.300 1.100 1.100 peak 318 spectrum 1 weight 0.10000E+01 volume 0.22678E-01 ppm1 4.494 ppm2 2.308 CV 1
ASSI { 319}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 99 and name HB3 ))
2.100 1.100 1.100 peak 319 spectrum 1 weight 0.10000E+01 volume 0.34369E-01 ppm1 4.493 ppm2 1.952 CV 1
ASSI { 323}
(( segid " " and resid 99 and name HG3 ))
(( segid " " and resid 99 and name HA ))
6.000 5.000 0.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.932 ppm2 4.499 CV 1
OR { 323}
(( segid " " and resid 99 and name HG2 ))
(( segid " " and resid 99 and name HA ))
ASSI { 324}
(( segid " " and resid 99 and name HG2 ))
(( segid " " and resid 99 and name HB2 ))
6.000 5.000 0.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.936 ppm2 2.324 CV 1
ASSI { 325}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB3 ))
1.800 0.900 0.900 peak 325 spectrum 1 weight 0.10000E+01 volume 0.78207E-01 ppm1 4.150 ppm2 1.974 CV 1
OR { 325}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HB2 ))
ASSI { 326}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HG2 ))
2.200 1.100 1.100 peak 326 spectrum 1 weight 0.10000E+01 volume 0.28685E-01 ppm1 4.154 ppm2 2.298 CV 1
OR { 326}
(( segid " " and resid 100 and name HA ))
(( segid " " and resid 100 and name HG3 ))
ASSI { 328}
(( segid " " and resid 100 and name HB3 ))
(( segid " " and resid 100 and name HG3 ))
6.000 5.000 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.971 ppm2 2.297 CV 1
OR { 328}
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 100 and name HG2 ))
OR { 328}
(( segid " " and resid 100 and name HB2 ))
(( segid " " and resid 100 and name HG3 ))
ASSI { 331}
(( segid " " and resid 102 and name HB ))
( segid " " and resid 102 and name HG2%)
1.900 1.000 1.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.59807E-01 ppm1 4.305 ppm2 1.155 CV 1
ASSI { 332}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB3 ))
2.500 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.14018E-01 ppm1 4.876 ppm2 2.593 CV 1
OR { 332}
(( segid " " and resid 104 and name HA ))
(( segid " " and resid 104 and name HB2 ))
ASSI { 334}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB2 ))
2.700 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.77128E-02 ppm1 5.062 ppm2 3.356 CV 1
ASSI { 335}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 105 and name HB3 ))
2.400 1.200 1.200 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15452E-01 ppm1 5.065 ppm2 2.507 CV 1
ASSI { 339}
(( segid " " and resid 106 and name HA ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.545 ppm2 0.960 CV 1
ASSI { 340}
(( segid " " and resid 106 and name HA ))
( segid " " and resid 106 and name HG2%)
6.000 5.000 0.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.545 ppm2 0.902 CV 1
ASSI { 341}
(( segid " " and resid 106 and name HB ))
(( segid " " and resid 106 and name HA ))
2.200 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.30580E-01 ppm1 2.007 ppm2 4.547 CV 1
ASSI { 342}
(( segid " " and resid 106 and name HB ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.013 ppm2 0.960 CV 1
ASSI { 343}
(( segid " " and resid 106 and name HB ))
( segid " " and resid 106 and name HG2%)
6.000 5.000 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.012 ppm2 0.902 CV 1
ASSI { 346}
( segid " " and resid 106 and name HG1%)
( segid " " and resid 106 and name HG2%)
6.000 5.000 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.956 ppm2 0.902 CV 1
ASSI { 350}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 108 and name HB ))
2.000 1.000 1.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.51959E-01 ppm1 4.159 ppm2 2.097 CV 1
ASSI { 351}
(( segid " " and resid 108 and name HA ))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.155 ppm2 0.904 CV 1
ASSI { 354}
(( segid " " and resid 108 and name HB ))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.099 ppm2 0.904 CV 1
ASSI { 355}
(( segid " " and resid 108 and name HB ))
( segid " " and resid 108 and name HG2%)
6.000 5.000 0.000 peak 355 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.099 ppm2 0.854 CV 1
ASSI { 358}
( segid " " and resid 108 and name HG1%)
( segid " " and resid 108 and name HG2%)
6.000 5.000 0.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.902 ppm2 0.854 CV 1
ASSI { 359}
( segid " " and resid 108 and name HG2%)
(( segid " " and resid 108 and name HA ))
2.100 1.000 1.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.35992E-01 ppm1 0.849 ppm2 4.180 CV 1
ASSI { 364}
(( segid " " and resid 109 and name HB2 ))
(( segid " " and resid 109 and name HA ))
2.100 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.31933E-01 ppm1 2.669 ppm2 4.659 CV 1
ASSI { 365}
(( segid " " and resid 109 and name HB3 ))
(( segid " " and resid 109 and name HA ))
2.700 1.400 1.400 peak 365 spectrum 1 weight 0.10000E+01 volume 0.79018E-02 ppm1 2.620 ppm2 4.662 CV 1
ASSI { 366}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HB2 ))
6.000 5.000 0.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 1.831 CV 1
ASSI { 367}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HB3 ))
6.000 5.000 0.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 1.753 CV 1
ASSI { 368}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HD2 ))
6.000 5.000 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.346 ppm2 1.666 CV 1
OR { 368}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HD3 ))
ASSI { 369}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HE3 ))
6.000 5.000 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 2.977 CV 1
OR { 369}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HE2 ))
ASSI { 370}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HG2 ))
6.000 5.000 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.347 ppm2 1.418 CV 1
OR { 370}
(( segid " " and resid 116 and name HA ))
(( segid " " and resid 116 and name HG3 ))
ASSI { 372}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HB3 ))
6.000 5.000 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.831 ppm2 1.753 CV 1
ASSI { 373}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HD3 ))
6.000 5.000 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.832 ppm2 1.667 CV 1
OR { 373}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HD2 ))
ASSI { 374}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HE3 ))
6.000 5.000 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.832 ppm2 2.977 CV 1
OR { 374}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HE2 ))
ASSI { 375}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HG3 ))
6.000 5.000 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.833 ppm2 1.418 CV 1
OR { 375}
(( segid " " and resid 116 and name HB2 ))
(( segid " " and resid 116 and name HG2 ))
ASSI { 378}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HD3 ))
6.000 5.000 0.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 1.667 CV 1
OR { 378}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HD2 ))
ASSI { 379}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HE3 ))
6.000 5.000 0.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.749 ppm2 2.977 CV 1
OR { 379}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HE2 ))
ASSI { 380}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HG2 ))
6.000 5.000 0.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.747 ppm2 1.416 CV 1
OR { 380}
(( segid " " and resid 116 and name HB3 ))
(( segid " " and resid 116 and name HG3 ))
ASSI { 384}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HE2 ))
6.000 5.000 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.662 ppm2 2.971 CV 1
OR { 384}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HE3 ))
OR { 384}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HE2 ))
OR { 384}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HE3 ))
ASSI { 385}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HG2 ))
6.000 5.000 0.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.670 ppm2 1.420 CV 1
OR { 385}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HG3 ))
OR { 385}
(( segid " " and resid 116 and name HD3 ))
(( segid " " and resid 116 and name HG2 ))
OR { 385}
(( segid " " and resid 116 and name HD2 ))
(( segid " " and resid 116 and name HG3 ))
ASSI { 390}
(( segid " " and resid 116 and name HE2 ))
(( segid " " and resid 116 and name HG3 ))
6.000 5.000 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.976 ppm2 1.417 CV 1
OR { 390}
(( segid " " and resid 116 and name HE3 ))
(( segid " " and resid 116 and name HG3 ))
OR { 390}
(( segid " " and resid 116 and name HE3 ))
(( segid " " and resid 116 and name HG2 ))
ASSI { 396}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HB2 ))
6.000 5.000 0.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 2.030 CV 1
ASSI { 397}
(( segid " " and resid 118 and name HA ))
(( segid " " and resid 118 and name HB3 ))
6.000 5.000 0.000 peak 397 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.101 ppm2 1.866 CV 1
ASSI { 399}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 118 and name HB3 ))
6.000 5.000 0.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.030 ppm2 1.866 CV 1
ASSI { 400}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 118 and name HG3 ))
6.000 5.000 0.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.030 ppm2 2.177 CV 1
OR { 400}
(( segid " " and resid 118 and name HB2 ))
(( segid " " and resid 118 and name HG2 ))
ASSI { 403}
(( segid " " and resid 118 and name HB3 ))
(( segid " " and resid 118 and name HG2 ))
6.000 5.000 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.863 ppm2 2.177 CV 1
OR { 403}
(( segid " " and resid 118 and name HB3 ))
(( segid " " and resid 118 and name HG3 ))
ASSI { 406}
(( segid " " and resid 118 and name HG3 ))
(( segid " " and resid 118 and name HA ))
6.000 5.000 0.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.176 ppm2 4.103 CV 1
OR { 406}
(( segid " " and resid 118 and name HG2 ))
(( segid " " and resid 118 and name HA ))
ASSI { 407}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB2 ))
6.000 5.000 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.272 ppm2 1.860 CV 1
ASSI { 408}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HB3 ))
6.000 5.000 0.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.277 ppm2 1.724 CV 1
ASSI { 409}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HE2 ))
6.000 5.000 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 2.956 CV 1
ASSI { 410}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HE3 ))
6.000 5.000 0.000 peak 410 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.274 ppm2 2.934 CV 1
ASSI { 412}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 11 and name HG3 ))
6.000 5.000 0.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.273 ppm2 1.317 CV 1
ASSI { 413}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HG3 ))
6.000 5.000 0.000 peak 413 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.859 ppm2 1.316 CV 1
ASSI { 414}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HG2 ))
6.000 5.000 0.000 peak 414 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.721 ppm2 1.492 CV 1
ASSI { 415}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB2 ))
6.000 5.000 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.495 ppm2 1.858 CV 1
ASSI { 416}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HB3 ))
6.000 5.000 0.000 peak 416 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.485 ppm2 1.726 CV 1
ASSI { 417}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HD2 ))
6.000 5.000 0.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.490 ppm2 1.625 CV 1
ASSI { 418}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HE2 ))
6.000 5.000 0.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 2.958 CV 1
ASSI { 419}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HE3 ))
6.000 5.000 0.000 peak 419 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 2.935 CV 1
ASSI { 420}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HG2 ))
6.000 5.000 0.000 peak 420 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.493 ppm2 1.488 CV 1
ASSI { 421}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HG3 ))
6.000 5.000 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.487 ppm2 1.315 CV 1
ASSI { 422}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HG3 ))
6.000 5.000 0.000 peak 422 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.483 ppm2 1.318 CV 1
ASSI { 425}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB2 ))
6.000 5.000 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.765 ppm2 1.323 CV 1
ASSI { 426}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB3 ))
6.000 5.000 0.000 peak 426 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 0.908 CV 1
ASSI { 427}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.768 ppm2 0.931 CV 1
ASSI { 432}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.321 ppm2 0.940 CV 1
ASSI { 433}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.319 ppm2 0.412 CV 1
ASSI { 434}
(( segid " " and resid 12 and name HB2 ))
( segid " " and resid 12 and name HD2%)
2.800 1.500 1.500 peak 434 spectrum 1 weight 0.10000E+01 volume 0.66302E-02 ppm1 1.320 ppm2 0.248 CV 1
ASSI { 436}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HB2 ))
2.500 1.300 1.300 peak 436 spectrum 1 weight 0.10000E+01 volume 0.11934E-01 ppm1 0.909 ppm2 1.329 CV 1
ASSI { 437}
(( segid " " and resid 12 and name HB3 ))
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.914 ppm2 0.936 CV 1
ASSI { 438}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 438 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.909 ppm2 0.415 CV 1
ASSI { 439}
(( segid " " and resid 12 and name HB3 ))
( segid " " and resid 12 and name HD2%)
2.800 1.500 1.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.69008E-02 ppm1 0.908 ppm2 0.248 CV 1
ASSI { 443}
(( segid " " and resid 12 and name HG ))
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.922 ppm2 0.415 CV 1
ASSI { 444}
(( segid " " and resid 12 and name HG ))
( segid " " and resid 12 and name HD2%)
6.000 5.000 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.923 ppm2 0.244 CV 1
ASSI { 445}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 12 and name HA ))
2.700 1.400 1.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.79018E-02 ppm1 0.408 ppm2 3.774 CV 1
ASSI { 449}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 12 and name HD2%)
2.400 1.200 1.200 peak 449 spectrum 1 weight 0.10000E+01 volume 0.15588E-01 ppm1 0.406 ppm2 0.237 CV 1
ASSI { 450}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 12 and name HA ))
2.700 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.80914E-02 ppm1 0.240 ppm2 3.768 CV 1
ASSI { 455}
(( segid " " and resid 14 and name HA ))
(( segid " " and resid 14 and name HB ))
6.000 5.000 0.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.528 ppm2 4.657 CV 1
ASSI { 456}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 14 and name HG2%)
2.100 1.100 1.100 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34369E-01 ppm1 4.526 ppm2 1.083 CV 1
ASSI { 458}
(( segid " " and resid 14 and name HB ))
( segid " " and resid 14 and name HG2%)
1.900 1.000 1.000 peak 458 spectrum 1 weight 0.10000E+01 volume 0.56830E-01 ppm1 4.655 ppm2 1.087 CV 1
ASSI { 459}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB2 ))
2.700 1.400 1.400 peak 459 spectrum 1 weight 0.10000E+01 volume 0.77396E-02 ppm1 4.805 ppm2 4.566 CV 1
ASSI { 460}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.805 ppm2 4.182 CV 1
ASSI { 463}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 16 and name HA ))
6.000 5.000 0.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.598 ppm2 4.281 CV 1
ASSI { 464}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 17 and name HB% )
2.100 1.100 1.100 peak 464 spectrum 1 weight 0.10000E+01 volume 0.34910E-01 ppm1 4.005 ppm2 0.954 CV 1
ASSI { 466}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB2 ))
6.000 5.000 0.000 peak 466 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.539 ppm2 3.677 CV 1
ASSI { 467}
(( segid " " and resid 18 and name HA ))
(( segid " " and resid 18 and name HB3 ))
6.000 5.000 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.536 ppm2 3.181 CV 1
ASSI { 470}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 19 and name HB% )
1.900 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.68196E-01 ppm1 3.840 ppm2 1.486 CV 1
ASSI { 472}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.063 ppm2 1.889 CV 1
ASSI { 473}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.063 ppm2 1.843 CV 1
ASSI { 476}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD3 ))
6.000 5.000 0.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.067 ppm2 1.656 CV 1
OR { 476}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 477}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HE3 ))
6.000 5.000 0.000 peak 477 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.065 ppm2 2.917 CV 1
OR { 477}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HE2 ))
ASSI { 479}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HG2 ))
6.000 5.000 0.000 peak 479 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 1.537 CV 1
ASSI { 480}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HD3 ))
6.000 5.000 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 1.654 CV 1
ASSI { 481}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HE2 ))
6.000 5.000 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.877 ppm2 2.915 CV 1
OR { 481}
(( segid " " and resid 20 and name HB2 ))
(( segid " " and resid 20 and name HE3 ))
ASSI { 483}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG2 ))
6.000 5.000 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.846 ppm2 1.535 CV 1
ASSI { 484}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HG3 ))
6.000 5.000 0.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.842 ppm2 1.450 CV 1
ASSI { 485}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HD3 ))
6.000 5.000 0.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.838 ppm2 1.654 CV 1
ASSI { 486}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HE2 ))
6.000 5.000 0.000 peak 486 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.842 ppm2 2.915 CV 1
OR { 486}
(( segid " " and resid 20 and name HB3 ))
(( segid " " and resid 20 and name HE3 ))
ASSI { 487}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HA ))
2.500 1.300 1.300 peak 487 spectrum 1 weight 0.10000E+01 volume 0.11934E-01 ppm1 1.534 ppm2 4.057 CV 1
ASSI { 490}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HG3 ))
6.000 5.000 0.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.536 ppm2 1.451 CV 1
ASSI { 491}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HD3 ))
6.000 5.000 0.000 peak 491 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.538 ppm2 1.656 CV 1
OR { 491}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HD2 ))
ASSI { 492}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HA ))
2.700 1.400 1.400 peak 492 spectrum 1 weight 0.10000E+01 volume 0.86329E-02 ppm1 1.447 ppm2 4.053 CV 1
ASSI { 493}
(( segid " " and resid 20 and name HG3 ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 493 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 1.888 CV 1
ASSI { 497}
(( segid " " and resid 20 and name HD3 ))
(( segid " " and resid 20 and name HE2 ))
6.000 5.000 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.653 ppm2 2.918 CV 1
OR { 497}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HE3 ))
OR { 497}
(( segid " " and resid 20 and name HD2 ))
(( segid " " and resid 20 and name HE2 ))
ASSI { 502}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 20 and name HG3 ))
6.000 5.000 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.916 ppm2 1.452 CV 1
OR { 502}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 20 and name HG3 ))
ASSI { 504}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HB3 ))
6.000 5.000 0.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.986 ppm2 2.116 CV 1
ASSI { 505}
(( segid " " and resid 21 and name HA ))
(( segid " " and resid 21 and name HG2 ))
2.600 1.400 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.96072E-02 ppm1 3.988 ppm2 2.508 CV 1
ASSI { 506}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HA ))
6.000 5.000 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.312 ppm2 3.993 CV 1
ASSI { 507}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HB3 ))
6.000 5.000 0.000 peak 507 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.307 ppm2 2.118 CV 1
ASSI { 508}
(( segid " " and resid 21 and name HB2 ))
(( segid " " and resid 21 and name HG2 ))
6.000 5.000 0.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.322 ppm2 2.509 CV 1
ASSI { 510}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 21 and name HG2 ))
6.000 5.000 0.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.118 ppm2 2.509 CV 1
ASSI { 514}
(( segid " " and resid 21 and name HG2 ))
(( segid " " and resid 21 and name HG3 ))
6.000 5.000 0.000 peak 514 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.506 ppm2 2.131 CV 1
ASSI { 515}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HA ))
6.000 5.000 0.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.126 ppm2 3.988 CV 1
ASSI { 516}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB2 ))
6.000 5.000 0.000 peak 516 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.126 ppm2 2.318 CV 1
ASSI { 517}
(( segid " " and resid 21 and name HG3 ))
(( segid " " and resid 21 and name HB3 ))
6.000 5.000 0.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.126 ppm2 2.118 CV 1
ASSI { 519}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 22 and name HB% )
1.900 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.65761E-01 ppm1 4.033 ppm2 1.007 CV 1
ASSI { 521}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.000 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 2.165 CV 1
ASSI { 522}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.025 ppm2 2.031 CV 1
ASSI { 524}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 524 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.166 ppm2 2.032 CV 1
ASSI { 525}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG3 ))
6.000 5.000 0.000 peak 525 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.167 ppm2 2.283 CV 1
ASSI { 527}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HG3 ))
6.000 5.000 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.364 ppm2 2.284 CV 1
ASSI { 528}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG2 ))
6.000 5.000 0.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.094 ppm2 2.162 CV 1
ASSI { 529}
(( segid " " and resid 39 and name HA ))
( segid " " and resid 39 and name HB% )
1.900 0.900 0.900 peak 529 spectrum 1 weight 0.10000E+01 volume 0.67926E-01 ppm1 4.068 ppm2 1.356 CV 1
ASSI { 531}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB2 ))
6.000 5.000 0.000 peak 531 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.201 ppm2 2.124 CV 1
ASSI { 532}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HB3 ))
6.000 5.000 0.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.197 ppm2 1.941 CV 1
ASSI { 533}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG2 ))
6.000 5.000 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.200 ppm2 2.258 CV 1
ASSI { 534}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 40 and name HG3 ))
6.000 5.000 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.198 ppm2 2.195 CV 1
ASSI { 537}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.374 ppm2 2.769 CV 1
ASSI { 538}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.374 ppm2 2.731 CV 1
ASSI { 541}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB2 ))
6.000 5.000 0.000 peak 541 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.952 ppm2 2.905 CV 1
ASSI { 542}
(( segid " " and resid 44 and name HA ))
(( segid " " and resid 44 and name HB3 ))
6.000 5.000 0.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.953 ppm2 2.402 CV 1
ASSI { 544}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 44 and name HB3 ))
2.700 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.86054E-02 ppm1 2.915 ppm2 2.393 CV 1
ASSI { 547}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB2 ))
6.000 5.000 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.317 ppm2 1.965 CV 1
ASSI { 548}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HB3 ))
6.000 5.000 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.316 ppm2 1.669 CV 1
ASSI { 549}
(( segid " " and resid 46 and name HA ))
(( segid " " and resid 46 and name HG ))
6.000 5.000 0.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.314 ppm2 1.451 CV 1
ASSI { 550}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HD1%)
6.000 5.000 0.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.306 ppm2 0.935 CV 1
ASSI { 551}
(( segid " " and resid 46 and name HA ))
( segid " " and resid 46 and name HD2%)
6.000 5.000 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.312 ppm2 0.963 CV 1
ASSI { 553}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HB3 ))
2.800 1.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.60348E-02 ppm1 1.957 ppm2 1.665 CV 1
ASSI { 554}
(( segid " " and resid 46 and name HB2 ))
(( segid " " and resid 46 and name HG ))
6.000 5.000 0.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.959 ppm2 1.447 CV 1
ASSI { 555}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 46 and name HD1%)
6.000 5.000 0.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.960 ppm2 0.934 CV 1
ASSI { 556}
(( segid " " and resid 46 and name HB2 ))
( segid " " and resid 46 and name HD2%)
6.000 5.000 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.960 ppm2 0.963 CV 1
ASSI { 558}
(( segid " " and resid 46 and name HB3 ))
(( segid " " and resid 46 and name HG ))
6.000 5.000 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.666 ppm2 1.445 CV 1
ASSI { 562}
(( segid " " and resid 46 and name HG ))
( segid " " and resid 46 and name HD1%)
6.000 5.000 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.447 ppm2 0.933 CV 1
ASSI { 563}
(( segid " " and resid 46 and name HG ))
( segid " " and resid 46 and name HD2%)
6.000 5.000 0.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.445 ppm2 0.963 CV 1
ASSI { 569}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB2 ))
6.000 5.000 0.000 peak 569 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.857 ppm2 2.048 CV 1
ASSI { 570}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HB3 ))
2.700 1.400 1.400 peak 570 spectrum 1 weight 0.10000E+01 volume 0.84975E-02 ppm1 3.854 ppm2 1.407 CV 1
ASSI { 571}
(( segid " " and resid 47 and name HA ))
(( segid " " and resid 47 and name HG ))
6.000 5.000 0.000 peak 571 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.855 ppm2 1.914 CV 1
ASSI { 572}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 572 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.854 ppm2 0.865 CV 1
ASSI { 573}
(( segid " " and resid 47 and name HA ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.854 ppm2 0.762 CV 1
ASSI { 575}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HB3 ))
2.900 1.500 1.500 peak 575 spectrum 1 weight 0.10000E+01 volume 0.54936E-02 ppm1 2.039 ppm2 1.407 CV 1
ASSI { 576}
(( segid " " and resid 47 and name HB2 ))
(( segid " " and resid 47 and name HG ))
6.000 5.000 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.054 ppm2 1.910 CV 1
ASSI { 577}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.045 ppm2 0.864 CV 1
ASSI { 578}
(( segid " " and resid 47 and name HB2 ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.043 ppm2 0.762 CV 1
ASSI { 581}
(( segid " " and resid 47 and name HB3 ))
(( segid " " and resid 47 and name HG ))
6.000 5.000 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.410 ppm2 1.909 CV 1
ASSI { 582}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.405 ppm2 0.865 CV 1
ASSI { 583}
(( segid " " and resid 47 and name HB3 ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.413 ppm2 0.763 CV 1
ASSI { 587}
(( segid " " and resid 47 and name HG ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 587 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.910 ppm2 0.865 CV 1
ASSI { 588}
(( segid " " and resid 47 and name HG ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 588 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.912 ppm2 0.761 CV 1
ASSI { 593}
( segid " " and resid 47 and name HD1%)
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.865 ppm2 0.761 CV 1
ASSI { 599}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 48 and name HA ))
6.000 5.000 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 3.898 CV 1
OR { 599}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 48 and name HA ))
ASSI { 600}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 600 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.061 ppm2 1.983 CV 1
ASSI { 601}
(( segid " " and resid 50 and name HA ))
(( segid " " and resid 50 and name HB3 ))
6.000 5.000 0.000 peak 601 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.058 ppm2 1.235 CV 1
ASSI { 602}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.060 ppm2 0.760 CV 1
ASSI { 603}
(( segid " " and resid 50 and name HA ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.061 ppm2 0.802 CV 1
ASSI { 605}
(( segid " " and resid 50 and name HB2 ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.983 ppm2 0.800 CV 1
ASSI { 607}
(( segid " " and resid 50 and name HB3 ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.216 ppm2 1.996 CV 1
ASSI { 608}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.230 ppm2 0.761 CV 1
ASSI { 609}
(( segid " " and resid 50 and name HB3 ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.228 ppm2 0.800 CV 1
ASSI { 610}
(( segid " " and resid 50 and name HG ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.992 ppm2 0.757 CV 1
ASSI { 611}
(( segid " " and resid 50 and name HG ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.994 ppm2 0.801 CV 1
ASSI { 613}
( segid " " and resid 50 and name HD1%)
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.756 ppm2 0.801 CV 1
ASSI { 616}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB2 ))
6.000 5.000 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.145 ppm2 1.947 CV 1
ASSI { 617}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HB3 ))
6.000 5.000 0.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.145 ppm2 1.435 CV 1
ASSI { 618}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 51 and name HG ))
6.000 5.000 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.145 ppm2 1.492 CV 1
ASSI { 619}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HD1%)
6.000 5.000 0.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.146 ppm2 0.767 CV 1
ASSI { 620}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 620 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.147 ppm2 0.832 CV 1
ASSI { 622}
(( segid " " and resid 51 and name HB2 ))
(( segid " " and resid 51 and name HG ))
6.000 5.000 0.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.951 ppm2 1.494 CV 1
ASSI { 623}
(( segid " " and resid 51 and name HB2 ))
( segid " " and resid 51 and name HD1%)
6.000 5.000 0.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.948 ppm2 0.768 CV 1
ASSI { 624}
(( segid " " and resid 51 and name HB2 ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 624 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.949 ppm2 0.832 CV 1
ASSI { 628}
(( segid " " and resid 51 and name HG ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.491 ppm2 0.835 CV 1
ASSI { 631}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 51 and name HG ))
6.000 5.000 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 1.491 CV 1
ASSI { 632}
( segid " " and resid 51 and name HD1%)
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.769 ppm2 0.832 CV 1
ASSI { 633}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 53 and name HB% )
1.900 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.56830E-01 ppm1 4.447 ppm2 1.481 CV 1
ASSI { 635}
(( segid " " and resid 55 and name HG ))
(( segid " " and resid 55 and name HA ))
6.000 5.000 0.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.725 ppm2 4.373 CV 1
ASSI { 636}
(( segid " " and resid 55 and name HG ))
( segid " " and resid 55 and name HD1%)
6.000 5.000 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.708 ppm2 0.806 CV 1
ASSI { 637}
(( segid " " and resid 55 and name HG ))
( segid " " and resid 55 and name HD2%)
6.000 5.000 0.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.708 ppm2 0.787 CV 1
ASSI { 638}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HA ))
6.000 5.000 0.000 peak 638 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.804 ppm2 4.380 CV 1
ASSI { 639}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB2 ))
6.000 5.000 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.700 ppm2 1.936 CV 1
ASSI { 640}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 56 and name HD1%)
6.000 5.000 0.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.697 ppm2 0.856 CV 1
ASSI { 641}
(( segid " " and resid 56 and name HA ))
( segid " " and resid 56 and name HD2%)
6.000 5.000 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.700 ppm2 0.888 CV 1
ASSI { 643}
(( segid " " and resid 56 and name HB2 ))
(( segid " " and resid 56 and name HB3 ))
6.000 5.000 0.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.934 ppm2 1.318 CV 1
ASSI { 644}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 56 and name HD1%)
6.000 5.000 0.000 peak 644 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.926 ppm2 0.852 CV 1
ASSI { 645}
(( segid " " and resid 56 and name HB2 ))
( segid " " and resid 56 and name HD2%)
6.000 5.000 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.928 ppm2 0.884 CV 1
ASSI { 647}
( segid " " and resid 56 and name HD2%)
(( segid " " and resid 56 and name HB3 ))
6.000 5.000 0.000 peak 647 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.873 ppm2 1.315 CV 1
ASSI { 648}
( segid " " and resid 56 and name HD2%)
( segid " " and resid 56 and name HD1%)
6.000 5.000 0.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.883 ppm2 0.856 CV 1
ASSI { 649}
(( segid " " and resid 57 and name HA ))
(( segid " " and resid 57 and name HB2 ))
2.500 1.300 1.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.11258E-01 ppm1 4.869 ppm2 3.003 CV 1
ASSI { 652}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HA ))
2.500 1.300 1.300 peak 652 spectrum 1 weight 0.10000E+01 volume 0.13261E-01 ppm1 2.378 ppm2 4.870 CV 1
ASSI { 653}
(( segid " " and resid 57 and name HB3 ))
(( segid " " and resid 57 and name HB2 ))
2.700 1.400 1.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.82536E-02 ppm1 2.374 ppm2 2.995 CV 1
ASSI { 654}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.385 ppm2 1.716 CV 1
ASSI { 655}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
6.000 5.000 0.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.386 ppm2 1.320 CV 1
ASSI { 656}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HG ))
6.000 5.000 0.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.385 ppm2 1.462 CV 1
ASSI { 657}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.380 ppm2 0.780 CV 1
ASSI { 658}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.385 ppm2 0.773 CV 1
ASSI { 660}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
6.000 5.000 0.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.724 ppm2 1.316 CV 1
ASSI { 661}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG ))
6.000 5.000 0.000 peak 661 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.712 ppm2 1.452 CV 1
ASSI { 662}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 662 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.715 ppm2 0.775 CV 1
ASSI { 663}
(( segid " " and resid 59 and name HB2 ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.716 ppm2 0.777 CV 1
ASSI { 666}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HG ))
6.000 5.000 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.315 ppm2 1.449 CV 1
ASSI { 667}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.319 ppm2 0.775 CV 1
ASSI { 668}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.321 ppm2 0.775 CV 1
ASSI { 670}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.458 ppm2 0.772 CV 1
ASSI { 671}
(( segid " " and resid 59 and name HG ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.458 ppm2 0.772 CV 1
ASSI { 676}
( segid " " and resid 59 and name HD1%)
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 676 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.772 ppm2 0.773 CV 1
ASSI { 682}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
2.200 1.100 1.100 peak 682 spectrum 1 weight 0.10000E+01 volume 0.24356E-01 ppm1 5.054 ppm2 2.684 CV 1
ASSI { 685}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 62 and name HB3 ))
2.100 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.36804E-01 ppm1 2.679 ppm2 2.366 CV 1
ASSI { 686}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HA ))
2.500 1.300 1.300 peak 686 spectrum 1 weight 0.10000E+01 volume 0.13044E-01 ppm1 2.365 ppm2 5.057 CV 1
ASSI { 688}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB ))
6.000 5.000 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.071 ppm2 4.036 CV 1
ASSI { 689}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 63 and name HG2%)
6.000 5.000 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.071 ppm2 1.244 CV 1
ASSI { 690}
(( segid " " and resid 63 and name HB ))
( segid " " and resid 63 and name HG2%)
1.800 0.900 0.900 peak 690 spectrum 1 weight 0.10000E+01 volume 0.79293E-01 ppm1 4.045 ppm2 1.250 CV 1
ASSI { 694}
(( segid " " and resid 64 and name HA2 ))
(( segid " " and resid 64 and name HA1 ))
2.500 1.300 1.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13098E-01 ppm1 3.641 ppm2 4.330 CV 1
ASSI { 695}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB2 ))
6.000 5.000 0.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.141 ppm2 3.874 CV 1
ASSI { 696}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 65 and name HB3 ))
6.000 5.000 0.000 peak 696 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.147 ppm2 3.752 CV 1
ASSI { 697}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 66 and name HB% )
2.400 1.200 1.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.15804E-01 ppm1 4.921 ppm2 1.321 CV 1
ASSI { 699}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB2 ))
6.000 5.000 0.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.547 ppm2 2.697 CV 1
ASSI { 700}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 67 and name HB3 ))
6.000 5.000 0.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.546 ppm2 2.494 CV 1
ASSI { 703}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 68 and name HB% )
2.100 1.100 1.100 peak 703 spectrum 1 weight 0.10000E+01 volume 0.32203E-01 ppm1 4.842 ppm2 1.190 CV 1
ASSI { 705}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB2 ))
6.000 5.000 0.000 peak 705 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.468 ppm2 2.138 CV 1
ASSI { 706}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HB3 ))
6.000 5.000 0.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.463 ppm2 1.671 CV 1
ASSI { 707}
(( segid " " and resid 69 and name HA ))
(( segid " " and resid 69 and name HG2 ))
6.000 5.000 0.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.458 ppm2 1.595 CV 1
ASSI { 709}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 709 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.139 ppm2 1.937 CV 1
ASSI { 710}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HD3 ))
6.000 5.000 0.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.132 ppm2 1.784 CV 1
ASSI { 711}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HG2 ))
6.000 5.000 0.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.148 ppm2 1.596 CV 1
ASSI { 712}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HE2 ))
6.000 5.000 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.134 ppm2 3.011 CV 1
OR { 712}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HE3 ))
ASSI { 714}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.673 ppm2 1.926 CV 1
ASSI { 715}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HE2 ))
6.000 5.000 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.675 ppm2 3.013 CV 1
OR { 715}
(( segid " " and resid 69 and name HB3 ))
(( segid " " and resid 69 and name HE3 ))
ASSI { 716}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HD3 ))
6.000 5.000 0.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.929 ppm2 1.788 CV 1
ASSI { 717}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HE3 ))
2.600 1.400 1.400 peak 717 spectrum 1 weight 0.10000E+01 volume 0.89036E-02 ppm1 1.925 ppm2 3.016 CV 1
OR { 717}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 69 and name HE2 ))
ASSI { 719}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 69 and name HE3 ))
2.600 1.300 1.300 peak 719 spectrum 1 weight 0.10000E+01 volume 0.11041E-01 ppm1 1.778 ppm2 3.014 CV 1
OR { 719}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 69 and name HE2 ))
ASSI { 720}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.596 ppm2 1.932 CV 1
ASSI { 721}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HD3 ))
6.000 5.000 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.598 ppm2 1.789 CV 1
ASSI { 722}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HE2 ))
6.000 5.000 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.592 ppm2 3.014 CV 1
OR { 722}
(( segid " " and resid 69 and name HG2 ))
(( segid " " and resid 69 and name HE3 ))
ASSI { 723}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.386 ppm2 1.924 CV 1
ASSI { 724}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HD3 ))
6.000 5.000 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.389 ppm2 1.789 CV 1
ASSI { 725}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HE2 ))
6.000 5.000 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.390 ppm2 3.012 CV 1
OR { 725}
(( segid " " and resid 69 and name HG3 ))
(( segid " " and resid 69 and name HE3 ))
ASSI { 729}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 83 and name HB2 ))
2.600 1.300 1.300 peak 729 spectrum 1 weight 0.10000E+01 volume 0.10013E-01 ppm1 3.765 ppm2 2.433 CV 1
ASSI { 731}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 106 and name HG2%)
3.000 1.600 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.46276E-02 ppm1 5.062 ppm2 0.900 CV 1
ASSI { 732}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.065 ppm2 1.117 CV 1
ASSI { 733}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 99 and name HG2 ))
6.000 5.000 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.065 ppm2 1.931 CV 1
OR { 733}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 99 and name HG3 ))
ASSI { 734}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 102 and name HA ))
1.900 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.58183E-01 ppm1 4.307 ppm2 4.675 CV 1
ASSI { 735}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 72 and name HG ))
3.800 2.300 2.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.95529E-03 ppm1 3.245 ppm2 1.597 CV 1
ASSI { 736}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 41 and name HB ))
2.500 1.300 1.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.11826E-01 ppm1 4.093 ppm2 4.333 CV 1
ASSI { 737}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB2 ))
2.900 1.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.57101E-02 ppm1 4.092 ppm2 2.328 CV 1
ASSI { 738}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HB3 ))
2.700 1.400 1.400 peak 738 spectrum 1 weight 0.10000E+01 volume 0.84164E-02 ppm1 4.092 ppm2 1.939 CV 1
ASSI { 739}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HG3 ))
3.000 1.600 1.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.40593E-02 ppm1 4.093 ppm2 1.739 CV 1
ASSI { 740}
(( segid " " and resid 38 and name HA ))
( segid " " and resid 41 and name HG2%)
2.700 1.400 1.400 peak 740 spectrum 1 weight 0.10000E+01 volume 0.74150E-02 ppm1 4.091 ppm2 1.077 CV 1
ASSI { 741}
(( segid " " and resid 89 and name HA ))
( segid " " and resid 82 and name HG1%)
2.600 1.300 1.300 peak 741 spectrum 1 weight 0.10000E+01 volume 0.11122E-01 ppm1 5.216 ppm2 0.722 CV 1
ASSI { 742}
(( segid " " and resid 48 and name HB3 ))
( segid " " and resid 41 and name HG2%)
6.000 5.000 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.000 ppm2 1.069 CV 1
OR { 742}
(( segid " " and resid 48 and name HB2 ))
( segid " " and resid 41 and name HG2%)
ASSI { 744}
(( segid " " and resid 48 and name HA ))
( segid " " and resid 41 and name HG2%)
6.000 5.000 0.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.893 ppm2 1.067 CV 1
ASSI { 746}
(( segid " " and resid 106 and name HA ))
( segid " " and resid 107 and name HB% )
3.100 1.700 1.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.36263E-02 ppm1 4.544 ppm2 1.405 CV 1
ASSI { 747}
(( segid " " and resid 108 and name HA ))
(( segid " " and resid 109 and name HB2 ))
6.000 5.000 0.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.168 ppm2 2.693 CV 1
ASSI { 748}
(( segid " " and resid 108 and name HA ))
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 748 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.158 ppm2 1.102 CV 1
ASSI { 749}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 60 and name HB3 ))
3.700 2.200 2.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 4.544 ppm2 3.797 CV 1
ASSI { 750}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 750 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.052 ppm2 1.300 CV 1
ASSI { 751}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 92 and name HG3 ))
6.000 5.000 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.058 ppm2 1.251 CV 1
ASSI { 752}
(( segid " " and resid 14 and name HA ))
( segid " " and resid 13 and name HB% )
6.000 5.000 0.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.523 ppm2 1.378 CV 1
ASSI { 753}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB3 ))
3.200 1.800 1.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.26413E-02 ppm1 3.777 ppm2 1.706 CV 1
ASSI { 755}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 43 and name HB3 ))
6.000 5.000 0.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.190 ppm2 2.812 CV 1
ASSI { 756}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 99 and name HD2 ))
6.000 5.000 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.060 ppm2 3.851 CV 1
ASSI { 757}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 99 and name HD3 ))
6.000 5.000 0.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.061 ppm2 3.714 CV 1
ASSI { 758}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 98 and name HB2 ))
3.200 1.800 1.800 peak 758 spectrum 1 weight 0.10000E+01 volume 0.27874E-02 ppm1 5.067 ppm2 3.123 CV 1
ASSI { 760}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 12 and name HA ))
6.000 5.000 0.000 peak 760 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.805 ppm2 3.765 CV 1
ASSI { 761}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 116 and name HD2 ))
6.000 5.000 0.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.799 ppm2 1.662 CV 1
OR { 761}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 116 and name HD3 ))
ASSI { 762}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 73 and name HB ))
2.700 1.400 1.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.87139E-02 ppm1 3.785 ppm2 1.905 CV 1
ASSI { 763}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 73 and name HG2%)
2.800 1.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.69549E-02 ppm1 3.789 ppm2 0.707 CV 1
ASSI { 764}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 12 and name HD1%)
3.200 1.800 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 3.789 ppm2 0.416 CV 1
ASSI { 765}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 12 and name HD2%)
3.400 2.000 2.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.18564E-02 ppm1 3.790 ppm2 0.244 CV 1
ASSI { 766}
(( segid " " and resid 87 and name HA ))
( segid " " and resid 17 and name HB% )
3.100 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.35452E-02 ppm1 4.532 ppm2 0.953 CV 1
ASSI { 767}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 48 and name HB3 ))
2.400 1.200 1.200 peak 767 spectrum 1 weight 0.10000E+01 volume 0.16508E-01 ppm1 4.375 ppm2 4.010 CV 1
OR { 767}
(( segid " " and resid 42 and name HA ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 768}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.062 ppm2 2.730 CV 1
ASSI { 769}
(( segid " " and resid 19 and name HA ))
( segid " " and resid 22 and name HB% )
2.400 1.200 1.200 peak 769 spectrum 1 weight 0.10000E+01 volume 0.17509E-01 ppm1 3.840 ppm2 1.005 CV 1
ASSI { 770}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.004 ppm2 1.841 CV 1
ASSI { 771}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HD2 ))
2.700 1.400 1.400 peak 771 spectrum 1 weight 0.10000E+01 volume 0.82536E-02 ppm1 4.004 ppm2 1.655 CV 1
OR { 771}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 772}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 96 and name HB% )
3.500 2.000 2.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.16156E-02 ppm1 5.189 ppm2 1.097 CV 1
ASSI { 773}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 32 and name HD1%)
4.300 2.900 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.45464E-03 ppm1 5.187 ppm2 0.732 CV 1
ASSI { 774}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 36 and name HA ))
6.000 5.000 0.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.068 ppm2 5.383 CV 1
ASSI { 775}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HG2 ))
2.800 1.400 1.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.70361E-02 ppm1 5.175 ppm2 1.938 CV 1
OR { 775}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HG3 ))
ASSI { 776}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HD3 ))
6.000 5.000 0.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.171 ppm2 3.715 CV 1
ASSI { 777}
(( segid " " and resid 22 and name HA ))
(( segid " " and resid 21 and name HB3 ))
6.000 5.000 0.000 peak 777 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.029 ppm2 2.106 CV 1
ASSI { 778}
(( segid " " and resid 22 and name HA ))
( segid " " and resid 32 and name HD1%)
2.700 1.400 1.400 peak 778 spectrum 1 weight 0.10000E+01 volume 0.80914E-02 ppm1 4.030 ppm2 0.728 CV 1
ASSI { 779}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 72 and name HD1%)
3.000 1.600 1.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.42217E-02 ppm1 4.447 ppm2 0.945 CV 1
ASSI { 780}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 49 and name HA1 ))
6.000 5.000 0.000 peak 780 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.451 ppm2 3.936 CV 1
OR { 780}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 49 and name HA2 ))
ASSI { 782}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 92 and name HE3 ))
6.000 5.000 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.019 ppm2 2.946 CV 1
OR { 782}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 92 and name HE2 ))
ASSI { 783}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 92 and name HD3 ))
3.100 1.700 1.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.36804E-02 ppm1 5.018 ppm2 1.566 CV 1
ASSI { 784}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.019 ppm2 1.289 CV 1
ASSI { 785}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 90 and name HG2%)
6.000 5.000 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.018 ppm2 0.578 CV 1
ASSI { 786}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 63 and name HA ))
6.000 5.000 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.054 ppm2 4.087 CV 1
ASSI { 787}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 65 and name HA ))
6.000 5.000 0.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.917 ppm2 4.151 CV 1
ASSI { 788}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 58 and name HA2 ))
2.600 1.400 1.400 peak 788 spectrum 1 weight 0.10000E+01 volume 0.92822E-02 ppm1 4.917 ppm2 3.629 CV 1
ASSI { 789}
(( segid " " and resid 66 and name HA ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.921 ppm2 0.825 CV 1
ASSI { 790}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 69 and name HA ))
2.600 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.10987E-01 ppm1 5.017 ppm2 4.461 CV 1
ASSI { 791}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 81 and name HD1%)
2.400 1.200 1.200 peak 791 spectrum 1 weight 0.10000E+01 volume 0.14992E-01 ppm1 4.840 ppm2 0.900 CV 1
ASSI { 792}
(( segid " " and resid 68 and name HA ))
( segid " " and resid 73 and name HD1%)
3.700 2.200 2.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12422E-02 ppm1 4.841 ppm2 0.678 CV 1
ASSI { 793}
(( segid " " and resid 96 and name HA ))
(( segid " " and resid 107 and name HA ))
2.400 1.200 1.200 peak 793 spectrum 1 weight 0.10000E+01 volume 0.17644E-01 ppm1 5.088 ppm2 4.264 CV 1
ASSI { 794}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 107 and name HB% )
2.600 1.300 1.300 peak 794 spectrum 1 weight 0.10000E+01 volume 0.98236E-02 ppm1 5.086 ppm2 1.414 CV 1
ASSI { 795}
(( segid " " and resid 96 and name HA ))
( segid " " and resid 108 and name HG2%)
2.500 1.300 1.300 peak 795 spectrum 1 weight 0.10000E+01 volume 0.12205E-01 ppm1 5.082 ppm2 0.860 CV 1
ASSI { 796}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 93 and name HB2 ))
2.700 1.400 1.400 peak 796 spectrum 1 weight 0.10000E+01 volume 0.76318E-02 ppm1 5.382 ppm2 3.196 CV 1
ASSI { 797}
(( segid " " and resid 36 and name HA ))
(( segid " " and resid 93 and name HB3 ))
2.800 1.400 1.400 peak 797 spectrum 1 weight 0.10000E+01 volume 0.70361E-02 ppm1 5.375 ppm2 2.965 CV 1
ASSI { 799}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 92 and name HA ))
2.600 1.300 1.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.97693E-02 ppm1 2.111 ppm2 3.769 CV 1
ASSI { 800}
(( segid " " and resid 83 and name HB2 ))
( segid " " and resid 90 and name HG2%)
2.600 1.300 1.300 peak 800 spectrum 1 weight 0.10000E+01 volume 0.10717E-01 ppm1 2.419 ppm2 0.575 CV 1
ASSI { 801}
(( segid " " and resid 83 and name HB3 ))
( segid " " and resid 90 and name HG2%)
6.000 5.000 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.110 ppm2 0.579 CV 1
ASSI { 802}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 92 and name HD3 ))
2.700 1.400 1.400 peak 802 spectrum 1 weight 0.10000E+01 volume 0.79293E-02 ppm1 2.109 ppm2 1.562 CV 1
ASSI { 803}
(( segid " " and resid 83 and name HB3 ))
(( segid " " and resid 92 and name HG2 ))
2.500 1.300 1.300 peak 803 spectrum 1 weight 0.10000E+01 volume 0.13125E-01 ppm1 2.110 ppm2 1.281 CV 1
ASSI { 804}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.427 ppm2 1.292 CV 1
ASSI { 805}
(( segid " " and resid 83 and name HB2 ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.422 ppm2 1.560 CV 1
ASSI { 806}
(( segid " " and resid 44 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
6.000 5.000 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.400 ppm2 1.400 CV 1
ASSI { 807}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 47 and name HB3 ))
6.000 5.000 0.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.914 ppm2 1.403 CV 1
ASSI { 808}
(( segid " " and resid 44 and name HB2 ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.916 ppm2 0.844 CV 1
ASSI { 810}
(( segid " " and resid 58 and name HA2 ))
(( segid " " and resid 58 and name HA1 ))
2.300 1.100 1.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.22732E-01 ppm1 3.626 ppm2 4.577 CV 1
ASSI { 812}
(( segid " " and resid 97 and name HB2 ))
(( segid " " and resid 32 and name HG12))
6.000 5.000 0.000 peak 812 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.015 ppm2 1.614 CV 1
ASSI { 813}
(( segid " " and resid 93 and name HB2 ))
(( segid " " and resid 93 and name HB3 ))
2.500 1.300 1.300 peak 813 spectrum 1 weight 0.10000E+01 volume 0.12936E-01 ppm1 3.189 ppm2 2.968 CV 1
ASSI { 816}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 59 and name HD1%)
2.600 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10338E-01 ppm1 2.361 ppm2 0.779 CV 1
OR { 816}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 59 and name HD2%)
ASSI { 817}
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 59 and name HD1%)
2.800 1.500 1.500 peak 817 spectrum 1 weight 0.10000E+01 volume 0.66573E-02 ppm1 2.676 ppm2 0.782 CV 1
OR { 817}
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 59 and name HD2%)
ASSI { 818}
(( segid " " and resid 42 and name HB3 ))
( segid " " and resid 39 and name HB% )
6.000 5.000 0.000 peak 818 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.720 ppm2 1.353 CV 1
ASSI { 819}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 29 and name HA ))
3.300 1.800 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.25060E-02 ppm1 1.903 ppm2 3.855 CV 1
ASSI { 820}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 32 and name HA ))
2.500 1.300 1.300 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11880E-01 ppm1 1.899 ppm2 4.736 CV 1
ASSI { 821}
(( segid " " and resid 32 and name HB ))
(( segid " " and resid 18 and name HZ ))
6.000 5.000 0.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.903 ppm2 6.971 CV 1
ASSI { 822}
(( segid " " and resid 32 and name HB ))
( segid " " and resid 18 and name HE% )
3.200 1.800 1.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.29227E-02 ppm1 1.897 ppm2 7.268 CV 1
ASSI { 823}
(( segid " " and resid 87 and name HG2 ))
( segid " " and resid 17 and name HB% )
2.600 1.300 1.300 peak 823 spectrum 1 weight 0.10000E+01 volume 0.10717E-01 ppm1 2.204 ppm2 0.951 CV 1
OR { 823}
(( segid " " and resid 87 and name HG3 ))
( segid " " and resid 17 and name HB% )
ASSI { 824}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 95 and name HG2%)
3.800 2.300 2.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.10527E-02 ppm1 2.497 ppm2 0.919 CV 1
OR { 824}
(( segid " " and resid 21 and name HG2 ))
( segid " " and resid 95 and name HG1%)
ASSI { 825}
(( segid " " and resid 75 and name HB2 ))
(( segid " " and resid 72 and name HA ))
6.000 5.000 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.259 ppm2 4.291 CV 1
ASSI { 826}
(( segid " " and resid 11 and name HD3 ))
(( segid " " and resid 11 and name HA ))
6.000 5.000 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.489 ppm2 4.281 CV 1
ASSI { 827}
(( segid " " and resid 94 and name HG13))
(( segid " " and resid 94 and name HG12))
3.000 1.600 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.42488E-02 ppm1 1.006 ppm2 1.385 CV 1
ASSI { 829}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 67 and name HB2 ))
6.000 5.000 0.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.119 ppm2 2.696 CV 1
ASSI { 830}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 69 and name HA ))
2.600 1.400 1.400 peak 830 spectrum 1 weight 0.10000E+01 volume 0.95261E-02 ppm1 1.120 ppm2 4.460 CV 1
ASSI { 832}
( segid " " and resid 96 and name HB% )
( segid " " and resid 107 and name HB% )
6.000 5.000 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.089 ppm2 1.420 CV 1
ASSI { 833}
( segid " " and resid 96 and name HB% )
(( segid " " and resid 105 and name HB3 ))
6.000 5.000 0.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.089 ppm2 2.510 CV 1
ASSI { 834}
( segid " " and resid 96 and name HB% )
(( segid " " and resid 105 and name HB2 ))
2.800 1.500 1.500 peak 834 spectrum 1 weight 0.10000E+01 volume 0.59807E-02 ppm1 1.090 ppm2 3.356 CV 1
ASSI { 835}
( segid " " and resid 96 and name HB% )
(( segid " " and resid 107 and name HA ))
2.500 1.300 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13801E-01 ppm1 1.091 ppm2 4.262 CV 1
ASSI { 836}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 73 and name HA ))
6.000 5.000 0.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.619 ppm2 3.255 CV 1
ASSI { 837}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.619 ppm2 0.861 CV 1
ASSI { 838}
( segid " " and resid 78 and name HD1%)
(( segid " " and resid 78 and name HB3 ))
3.000 1.600 1.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.45735E-02 ppm1 0.620 ppm2 1.280 CV 1
ASSI { 839}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 32 and name HB ))
6.000 5.000 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.408 ppm2 1.903 CV 1
ASSI { 842}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 18 and name HB3 ))
6.000 5.000 0.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.406 ppm2 3.197 CV 1
ASSI { 843}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 90 and name HA ))
6.000 5.000 0.000 peak 843 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.406 ppm2 4.426 CV 1
ASSI { 844}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 18 and name HA ))
6.000 5.000 0.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.406 ppm2 4.536 CV 1
ASSI { 846}
( segid " " and resid 90 and name HG1%)
( segid " " and resid 85 and name HG2%)
2.800 1.500 1.500 peak 846 spectrum 1 weight 0.10000E+01 volume 0.63596E-02 ppm1 0.681 ppm2 1.171 CV 1
ASSI { 847}
( segid " " and resid 90 and name HG1%)
( segid " " and resid 17 and name HB% )
2.100 1.100 1.100 peak 847 spectrum 1 weight 0.10000E+01 volume 0.33016E-01 ppm1 0.682 ppm2 0.963 CV 1
ASSI { 848}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 51 and name HB2 ))
2.500 1.300 1.300 peak 848 spectrum 1 weight 0.10000E+01 volume 0.11177E-01 ppm1 1.308 ppm2 1.935 CV 1
ASSI { 849}
( segid " " and resid 66 and name HB% )
( segid " " and resid 41 and name HG2%)
3.100 1.700 1.700 peak 849 spectrum 1 weight 0.10000E+01 volume 0.36534E-02 ppm1 1.311 ppm2 1.073 CV 1
ASSI { 850}
( segid " " and resid 66 and name HB% )
( segid " " and resid 51 and name HD2%)
1.900 1.000 1.000 peak 850 spectrum 1 weight 0.10000E+01 volume 0.60619E-01 ppm1 1.309 ppm2 0.840 CV 1
ASSI { 851}
( segid " " and resid 81 and name HD2%)
(( segid " " and resid 35 and name HA ))
2.800 1.500 1.500 peak 851 spectrum 1 weight 0.10000E+01 volume 0.69279E-02 ppm1 0.694 ppm2 6.010 CV 1
ASSI { 852}
( segid " " and resid 82 and name HG1%)
( segid " " and resid 12 and name HD2%)
6.000 5.000 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.727 ppm2 0.244 CV 1
ASSI { 853}
( segid " " and resid 82 and name HG1%)
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.726 ppm2 0.413 CV 1
ASSI { 854}
( segid " " and resid 81 and name HD2%)
(( segid " " and resid 67 and name HA ))
3.200 1.800 1.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.27333E-02 ppm1 0.694 ppm2 5.556 CV 1
ASSI { 855}
( segid " " and resid 81 and name HD2%)
(( segid " " and resid 81 and name HB2 ))
2.800 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.66843E-02 ppm1 0.693 ppm2 1.863 CV 1
ASSI { 856}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 79 and name HA ))
6.000 5.000 0.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.644 ppm2 3.866 CV 1
ASSI { 858}
( segid " " and resid 82 and name HG1%)
(( segid " " and resid 79 and name HA ))
6.000 5.000 0.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.726 ppm2 3.868 CV 1
ASSI { 859}
( segid " " and resid 82 and name HG1%)
(( segid " " and resid 89 and name HB3 ))
6.000 5.000 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.726 ppm2 1.597 CV 1
ASSI { 860}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 20 and name HD3 ))
2.600 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.94986E-02 ppm1 0.950 ppm2 1.661 CV 1
OR { 860}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 20 and name HD2 ))
ASSI { 862}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 75 and name HA ))
6.000 5.000 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.476 ppm2 4.066 CV 1
ASSI { 863}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 73 and name HB ))
2.900 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.54665E-02 ppm1 1.211 ppm2 1.921 CV 1
ASSI { 864}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 864 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.210 ppm2 0.938 CV 1
ASSI { 865}
( segid " " and resid 70 and name HB% )
( segid " " and resid 73 and name HD1%)
2.900 1.500 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.56560E-02 ppm1 1.208 ppm2 0.698 CV 1
OR { 865}
( segid " " and resid 70 and name HB% )
( segid " " and resid 73 and name HG2%)
ASSI { 866}
( segid " " and resid 70 and name HB% )
( segid " " and resid 12 and name HD1%)
2.900 1.600 1.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.51689E-02 ppm1 1.212 ppm2 0.418 CV 1
ASSI { 867}
( segid " " and resid 70 and name HB% )
( segid " " and resid 12 and name HD2%)
2.700 1.400 1.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.73067E-02 ppm1 1.211 ppm2 0.242 CV 1
ASSI { 869}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 32 and name HA ))
2.600 1.300 1.300 peak 869 spectrum 1 weight 0.10000E+01 volume 0.10148E-01 ppm1 0.996 ppm2 4.741 CV 1
ASSI { 870}
( segid " " and resid 32 and name HG2%)
(( segid " " and resid 18 and name HZ ))
2.500 1.300 1.300 peak 870 spectrum 1 weight 0.10000E+01 volume 0.12503E-01 ppm1 0.996 ppm2 6.969 CV 1
ASSI { 871}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 18 and name HE% )
2.500 1.300 1.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.11826E-01 ppm1 0.995 ppm2 7.270 CV 1
ASSI { 872}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.348 ppm2 2.780 CV 1
ASSI { 873}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 40 and name HG3 ))
6.000 5.000 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.348 ppm2 2.204 CV 1
ASSI { 874}
( segid " " and resid 16 and name HB% )
( segid " " and resid 17 and name HB% )
3.100 1.700 1.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.31392E-02 ppm1 1.601 ppm2 0.957 CV 1
ASSI { 875}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 87 and name HG2 ))
3.100 1.700 1.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.37887E-02 ppm1 1.598 ppm2 2.224 CV 1
OR { 875}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 87 and name HG3 ))
ASSI { 876}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 87 and name HB2 ))
3.100 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.37075E-02 ppm1 1.599 ppm2 2.342 CV 1
ASSI { 877}
( segid " " and resid 90 and name HG2%)
( segid " " and resid 85 and name HG2%)
2.200 1.100 1.100 peak 877 spectrum 1 weight 0.10000E+01 volume 0.28956E-01 ppm1 0.566 ppm2 1.163 CV 1
ASSI { 878}
( segid " " and resid 90 and name HG2%)
( segid " " and resid 17 and name HB% )
3.000 1.600 1.600 peak 878 spectrum 1 weight 0.10000E+01 volume 0.44382E-02 ppm1 0.566 ppm2 0.948 CV 1
ASSI { 880}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 35 and name HB3 ))
2.900 1.500 1.500 peak 880 spectrum 1 weight 0.10000E+01 volume 0.52500E-02 ppm1 0.793 ppm2 2.599 CV 1
ASSI { 881}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 35 and name HB2 ))
2.700 1.400 1.400 peak 881 spectrum 1 weight 0.10000E+01 volume 0.77671E-02 ppm1 0.794 ppm2 2.924 CV 1
ASSI { 882}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 16 and name HA ))
2.200 1.100 1.100 peak 882 spectrum 1 weight 0.10000E+01 volume 0.30851E-01 ppm1 1.481 ppm2 4.283 CV 1
ASSI { 883}
( segid " " and resid 19 and name HB% )
( segid " " and resid 22 and name HB% )
2.400 1.200 1.200 peak 883 spectrum 1 weight 0.10000E+01 volume 0.15940E-01 ppm1 1.481 ppm2 1.003 CV 1
ASSI { 884}
( segid " " and resid 73 and name HG2%)
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.707 ppm2 0.416 CV 1
ASSI { 885}
( segid " " and resid 73 and name HG2%)
( segid " " and resid 12 and name HD2%)
6.000 5.000 0.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.707 ppm2 0.249 CV 1
ASSI { 886}
( segid " " and resid 73 and name HD1%)
( segid " " and resid 12 and name HD1%)
6.000 5.000 0.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.685 ppm2 0.420 CV 1
ASSI { 887}
( segid " " and resid 73 and name HD1%)
( segid " " and resid 12 and name HD2%)
3.100 1.700 1.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.32203E-02 ppm1 0.684 ppm2 0.245 CV 1
ASSI { 888}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 70 and name HA ))
2.600 1.400 1.400 peak 888 spectrum 1 weight 0.10000E+01 volume 0.90925E-02 ppm1 0.685 ppm2 3.795 CV 1
ASSI { 889}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 81 and name HB3 ))
6.000 5.000 0.000 peak 889 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.681 ppm2 1.513 CV 1
ASSI { 891}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 35 and name HB2 ))
2.700 1.400 1.400 peak 891 spectrum 1 weight 0.10000E+01 volume 0.81189E-02 ppm1 0.620 ppm2 2.935 CV 1
ASSI { 892}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 35 and name HB3 ))
3.000 1.600 1.600 peak 892 spectrum 1 weight 0.10000E+01 volume 0.42488E-02 ppm1 0.619 ppm2 2.599 CV 1
ASSI { 893}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.721 ppm2 2.833 CV 1
ASSI { 894}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 32 and name HA ))
2.500 1.300 1.300 peak 894 spectrum 1 weight 0.10000E+01 volume 0.11826E-01 ppm1 0.720 ppm2 4.740 CV 1
ASSI { 895}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 23 and name HA ))
6.000 5.000 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.720 ppm2 4.038 CV 1
ASSI { 896}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 19 and name HA ))
6.000 5.000 0.000 peak 896 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.720 ppm2 3.850 CV 1
ASSI { 897}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 18 and name HD% )
2.500 1.300 1.300 peak 897 spectrum 1 weight 0.10000E+01 volume 0.12990E-01 ppm1 4.536 ppm2 7.441 CV 1
ASSI { 899}
( segid " " and resid 82 and name HG2%)
(( segid " " and resid 79 and name HA ))
2.200 1.100 1.100 peak 899 spectrum 1 weight 0.10000E+01 volume 0.24572E-01 ppm1 0.774 ppm2 3.866 CV 1
ASSI { 901}
( segid " " and resid 108 and name HG2%)
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 901 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.846 ppm2 1.101 CV 1
ASSI { 902}
( segid " " and resid 82 and name HG2%)
( segid " " and resid 12 and name HD2%)
6.000 5.000 0.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.770 ppm2 0.241 CV 1
ASSI { 903}
(( segid " " and resid 108 and name HA ))
( segid " " and resid 107 and name HB% )
6.000 5.000 0.000 peak 903 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.162 ppm2 1.416 CV 1
ASSI { 904}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 83 and name HA ))
3.000 1.700 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.39240E-02 ppm1 3.766 ppm2 5.039 CV 1
ASSI { 905}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 99 and name HG3 ))
6.000 5.000 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.306 ppm2 1.943 CV 1
OR { 905}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 99 and name HB3 ))
OR { 905}
(( segid " " and resid 102 and name HB ))
(( segid " " and resid 99 and name HG2 ))
ASSI { 907}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG12))
6.000 5.000 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.244 ppm2 1.727 CV 1
ASSI { 908}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HG13))
6.000 5.000 0.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.242 ppm2 0.809 CV 1
ASSI { 909}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD3 ))
4.800 3.400 1.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.25411E-03 ppm1 4.092 ppm2 3.694 CV 1
OR { 909}
(( segid " " and resid 38 and name HA ))
(( segid " " and resid 38 and name HD2 ))
ASSI { 910}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.002 ppm2 2.723 CV 1
OR { 910}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 42 and name HB3 ))
ASSI { 912}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 46 and name HA ))
6.000 5.000 0.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.000 ppm2 4.315 CV 1
OR { 912}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 46 and name HA ))
ASSI { 913}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 83 and name HB2 ))
3.200 1.800 1.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.30309E-02 ppm1 5.060 ppm2 2.437 CV 1
ASSI { 914}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 95 and name HG2%)
3.600 2.100 2.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.15127E-02 ppm1 3.982 ppm2 0.928 CV 1
ASSI { 916}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 98 and name HB3 ))
6.000 5.000 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.064 ppm2 2.779 CV 1
ASSI { 917}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 73 and name HG12))
3.200 1.800 1.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.28956E-02 ppm1 3.790 ppm2 1.727 CV 1
ASSI { 918}
(( segid " " and resid 17 and name HA ))
( segid " " and resid 90 and name HG1%)
3.500 2.000 2.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.17049E-02 ppm1 4.009 ppm2 0.675 CV 1
ASSI { 919}
(( segid " " and resid 97 and name HA ))
(( segid " " and resid 32 and name HA ))
6.000 5.000 0.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.192 ppm2 4.735 CV 1
ASSI { 921}
(( segid " " and resid 98 and name HA ))
(( segid " " and resid 99 and name HD2 ))
6.000 5.000 0.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.173 ppm2 3.867 CV 1
ASSI { 922}
(( segid " " and resid 83 and name HA ))
( segid " " and resid 82 and name HG2%)
6.000 5.000 0.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.018 ppm2 0.779 CV 1
ASSI { 924}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 58 and name HA1 ))
3.200 1.800 1.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 4.921 ppm2 4.581 CV 1
ASSI { 925}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 72 and name HB2 ))
6.000 5.000 0.000 peak 925 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.834 ppm2 1.862 CV 1
ASSI { 927}
(( segid " " and resid 33 and name HA ))
(( segid " " and resid 32 and name HG12))
6.000 5.000 0.000 peak 927 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.015 ppm2 1.634 CV 1
ASSI { 928}
(( segid " " and resid 36 and name HA ))
( segid " " and resid 94 and name HG2%)
4.000 2.500 2.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.76853E-03 ppm1 5.379 ppm2 0.799 CV 1
ASSI { 932}
(( segid " " and resid 105 and name HB2 ))
( segid " " and resid 59 and name HD2%)
4.300 2.800 1.700 peak 932 spectrum 1 weight 0.10000E+01 volume 0.48171E-03 ppm1 3.354 ppm2 0.779 CV 1
OR { 932}
(( segid " " and resid 105 and name HB2 ))
( segid " " and resid 59 and name HD1%)
ASSI { 933}
(( segid " " and resid 105 and name HB3 ))
(( segid " " and resid 105 and name HB2 ))
3.700 2.200 2.200 peak 933 spectrum 1 weight 0.10000E+01 volume 0.11177E-02 ppm1 2.511 ppm2 3.358 CV 1
ASSI { 935}
(( segid " " and resid 105 and name HB3 ))
( segid " " and resid 59 and name HD2%)
3.600 2.100 2.100 peak 935 spectrum 1 weight 0.10000E+01 volume 0.15046E-02 ppm1 2.512 ppm2 0.774 CV 1
OR { 935}
(( segid " " and resid 105 and name HB3 ))
( segid " " and resid 59 and name HD1%)
ASSI { 936}
(( segid " " and resid 67 and name HB3 ))
(( segid " " and resid 67 and name HB2 ))
6.000 5.000 0.000 peak 936 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.485 ppm2 2.690 CV 1
ASSI { 938}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.914 ppm2 1.985 CV 1
OR { 938}
(( segid " " and resid 44 and name HB2 ))
(( segid " " and resid 50 and name HG ))
ASSI { 939}
(( segid " " and resid 58 and name HA2 ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 939 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.631 ppm2 0.821 CV 1
ASSI { 941}
(( segid " " and resid 98 and name HB2 ))
(( segid " " and resid 98 and name HB3 ))
2.800 1.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.63054E-02 ppm1 3.135 ppm2 2.781 CV 1
ASSI { 943}
(( segid " " and resid 72 and name HB2 ))
( segid " " and resid 70 and name HB% )
6.000 5.000 0.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.855 ppm2 1.208 CV 1
ASSI { 946}
(( segid " " and resid 97 and name HB2 ))
( segid " " and resid 33 and name HB% )
6.000 5.000 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.008 ppm2 1.125 CV 1
ASSI { 948}
(( segid " " and resid 109 and name HB3 ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.626 ppm2 0.894 CV 1
ASSI { 950}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 59 and name HB2 ))
6.000 5.000 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.356 ppm2 1.715 CV 1
ASSI { 951}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 59 and name HG ))
3.100 1.700 1.700 peak 951 spectrum 1 weight 0.10000E+01 volume 0.37887E-02 ppm1 2.372 ppm2 1.452 CV 1
ASSI { 952}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 59 and name HB3 ))
6.000 5.000 0.000 peak 952 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.363 ppm2 1.330 CV 1
ASSI { 953}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 59 and name HG ))
6.000 5.000 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.675 ppm2 1.447 CV 1
ASSI { 954}
(( segid " " and resid 18 and name HB3 ))
(( segid " " and resid 18 and name HB2 ))
6.000 5.000 0.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.179 ppm2 3.672 CV 1
ASSI { 955}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 81 and name HD1%)
3.400 1.900 1.900 peak 955 spectrum 1 weight 0.10000E+01 volume 0.21460E-02 ppm1 1.841 ppm2 0.879 CV 1
ASSI { 957}
(( segid " " and resid 87 and name HG2 ))
(( segid " " and resid 17 and name HA ))
3.500 2.000 2.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.17509E-02 ppm1 2.208 ppm2 4.009 CV 1
OR { 957}
(( segid " " and resid 87 and name HG3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 958}
(( segid " " and resid 82 and name HB ))
(( segid " " and resid 79 and name HA ))
3.000 1.600 1.600 peak 958 spectrum 1 weight 0.10000E+01 volume 0.40593E-02 ppm1 2.070 ppm2 3.852 CV 1
ASSI { 959}
(( segid " " and resid 75 and name HG2 ))
(( segid " " and resid 72 and name HA ))
4.300 2.800 1.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.49794E-03 ppm1 2.486 ppm2 4.291 CV 1
ASSI { 960}
(( segid " " and resid 75 and name HG3 ))
(( segid " " and resid 72 and name HA ))
6.000 5.000 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.332 ppm2 4.296 CV 1
ASSI { 961}
(( segid " " and resid 75 and name HG2 ))
( segid " " and resid 72 and name HD1%)
3.500 2.100 2.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 2.485 ppm2 0.953 CV 1
ASSI { 962}
(( segid " " and resid 75 and name HG2 ))
( segid " " and resid 76 and name HD1%)
3.000 1.600 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.41946E-02 ppm1 2.481 ppm2 0.809 CV 1
ASSI { 963}
(( segid " " and resid 75 and name HG3 ))
( segid " " and resid 72 and name HD1%)
6.000 5.000 0.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.328 ppm2 0.953 CV 1
ASSI { 964}
(( segid " " and resid 75 and name HG3 ))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.326 ppm2 0.809 CV 1
ASSI { 966}
(( segid " " and resid 21 and name HB3 ))
(( segid " " and resid 18 and name HA ))
6.000 5.000 0.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.111 ppm2 4.537 CV 1
ASSI { 967}
(( segid " " and resid 69 and name HD3 ))
(( segid " " and resid 31 and name HA ))
6.000 5.000 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.784 ppm2 4.690 CV 1
ASSI { 968}
(( segid " " and resid 69 and name HD2 ))
(( segid " " and resid 31 and name HA ))
4.100 2.600 1.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.62784E-03 ppm1 1.919 ppm2 4.687 CV 1
ASSI { 970}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 83 and name HA ))
6.000 5.000 0.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.622 ppm2 5.034 CV 1
ASSI { 971}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HE2 ))
6.000 5.000 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.564 ppm2 2.949 CV 1
OR { 971}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 972}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 972 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.562 ppm2 1.284 CV 1
OR { 972}
(( segid " " and resid 92 and name HD3 ))
(( segid " " and resid 92 and name HG2 ))
ASSI { 973}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 973 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.624 ppm2 1.288 CV 1
OR { 973}
(( segid " " and resid 92 and name HD2 ))
(( segid " " and resid 92 and name HB3 ))
ASSI { 975}
(( segid " " and resid 46 and name HG ))
(( segid " " and resid 50 and name HB3 ))
6.000 5.000 0.000 peak 975 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.451 ppm2 1.224 CV 1
ASSI { 976}
(( segid " " and resid 99 and name HG3 ))
(( segid " " and resid 101 and name HA2 ))
6.000 5.000 0.000 peak 976 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.933 ppm2 3.832 CV 1
OR { 976}
(( segid " " and resid 99 and name HG2 ))
(( segid " " and resid 101 and name HA2 ))
ASSI { 977}
(( segid " " and resid 99 and name HG2 ))
(( segid " " and resid 99 and name HD3 ))
6.000 5.000 0.000 peak 977 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.934 ppm2 3.707 CV 1
ASSI { 978}
( segid " " and resid 50 and name HD1%)
(( segid " " and resid 78 and name HG ))
6.000 5.000 0.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.758 ppm2 1.577 CV 1
ASSI { 980}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 27 and name HB2 ))
4.300 2.800 1.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.50606E-03 ppm1 1.119 ppm2 3.040 CV 1
ASSI { 981}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 29 and name HB ))
6.000 5.000 0.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.723 ppm2 2.111 CV 1
ASSI { 982}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 25 and name HB ))
4.300 2.800 1.700 peak 982 spectrum 1 weight 0.10000E+01 volume 0.51418E-03 ppm1 0.720 ppm2 4.186 CV 1
ASSI { 983}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 18 and name HZ ))
3.500 2.100 2.100 peak 983 spectrum 1 weight 0.10000E+01 volume 0.15426E-02 ppm1 0.720 ppm2 6.988 CV 1
ASSI { 984}
( segid " " and resid 32 and name HD1%)
( segid " " and resid 18 and name HE% )
3.300 1.900 1.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.22895E-02 ppm1 0.719 ppm2 7.264 CV 1
ASSI { 985}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 93 and name HB2 ))
4.100 2.600 1.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.60619E-03 ppm1 0.620 ppm2 3.189 CV 1
ASSI { 986}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 37 and name HA ))
3.300 1.800 1.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.24951E-02 ppm1 0.619 ppm2 4.366 CV 1
ASSI { 988}
( segid " " and resid 94 and name HD1%)
(( segid " " and resid 36 and name HA ))
3.200 1.800 1.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 0.617 ppm2 5.382 CV 1
ASSI { 989}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 73 and name HA ))
3.100 1.700 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 0.684 ppm2 3.244 CV 1
ASSI { 990}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 34 and name HB3 ))
3.200 1.800 1.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.30039E-02 ppm1 0.685 ppm2 2.368 CV 1
ASSI { 992}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 34 and name HA ))
6.000 5.000 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.683 ppm2 5.979 CV 1
ASSI { 993}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 73 and name HN ))
3.500 2.000 2.000 peak 993 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 0.683 ppm2 8.051 CV 1
ASSI { 996}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 74 and name HA ))
3.000 1.600 1.600 peak 996 spectrum 1 weight 0.10000E+01 volume 0.43840E-02 ppm1 0.706 ppm2 4.429 CV 1
ASSI { 997}
( segid " " and resid 73 and name HG2%)
(( segid " " and resid 73 and name HN ))
4.100 2.600 1.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.69008E-03 ppm1 0.704 ppm2 8.068 CV 1
ASSI { 999}
( segid " " and resid 94 and name HG2%)
(( segid " " and resid 35 and name HA ))
3.600 2.100 2.100 peak 999 spectrum 1 weight 0.10000E+01 volume 0.14126E-02 ppm1 0.791 ppm2 6.016 CV 1
ASSI { 1001}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 21 and name HB2 ))
6.000 5.000 0.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.477 ppm2 2.311 CV 1
ASSI { 1002}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.476 ppm2 1.862 CV 1
OR { 1002}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 20 and name HB2 ))
ASSI { 1003}
( segid " " and resid 19 and name HB% )
(( segid " " and resid 21 and name HB3 ))
5.700 4.600 0.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.85786E-04 ppm1 1.476 ppm2 2.121 CV 1
ASSI { 1004}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 92 and name HA ))
3.100 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.32474E-02 ppm1 0.566 ppm2 3.771 CV 1
ASSI { 1006}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 89 and name HA ))
3.500 2.100 2.100 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.15560E-02 ppm1 0.567 ppm2 5.223 CV 1
ASSI { 1007}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.562 ppm2 1.617 CV 1
ASSI { 1009}
( segid " " and resid 16 and name HB% )
(( segid " " and resid 17 and name HA ))
3.900 2.400 2.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.80914E-03 ppm1 1.601 ppm2 4.018 CV 1
ASSI { 1010}
( segid " " and resid 70 and name HB% )
( segid " " and resid 18 and name HD% )
3.100 1.700 1.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.33286E-02 ppm1 1.212 ppm2 7.435 CV 1
ASSI { 1011}
( segid " " and resid 32 and name HG2%)
( segid " " and resid 18 and name HD% )
3.200 1.800 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.28415E-02 ppm1 0.995 ppm2 7.422 CV 1
ASSI { 1012}
( segid " " and resid 22 and name HB% )
(( segid " " and resid 21 and name HB3 ))
3.200 1.800 1.800 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 0.995 ppm2 2.115 CV 1
ASSI { 1014}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.472 ppm2 1.637 CV 1
ASSI { 1015}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 72 and name HB2 ))
3.200 1.800 1.800 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.27333E-02 ppm1 1.474 ppm2 1.850 CV 1
ASSI { 1016}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 50 and name HG ))
6.000 5.000 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.472 ppm2 1.997 CV 1
ASSI { 1017}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 87 and name HB2 ))
3.000 1.600 1.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.44111E-02 ppm1 0.950 ppm2 2.336 CV 1
ASSI { 1020}
( segid " " and resid 17 and name HB% )
(( segid " " and resid 18 and name HA ))
6.000 5.000 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.946 ppm2 4.530 CV 1
ASSI { 1021}
( segid " " and resid 108 and name HG2%)
(( segid " " and resid 109 and name HA ))
3.400 1.900 1.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.20080E-02 ppm1 0.848 ppm2 4.665 CV 1
ASSI { 1022}
( segid " " and resid 108 and name HG2%)
(( segid " " and resid 95 and name HB ))
6.000 5.000 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.851 ppm2 1.908 CV 1
ASSI { 1024}
( segid " " and resid 85 and name HG2%)
(( segid " " and resid 89 and name HA ))
3.800 2.300 2.200 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.10825E-02 ppm1 1.147 ppm2 5.220 CV 1
ASSI { 1026}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 73 and name HA ))
3.100 1.700 1.700 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.37346E-02 ppm1 0.642 ppm2 3.252 CV 1
ASSI { 1027}
( segid " " and resid 81 and name HD2%)
(( segid " " and resid 34 and name HB2 ))
6.000 5.000 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.694 ppm2 3.799 CV 1
ASSI { 1030}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 41 and name HB ))
6.000 5.000 0.000 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.309 ppm2 4.350 CV 1
ASSI { 1031}
( segid " " and resid 72 and name HD2%)
(( segid " " and resid 75 and name HB2 ))
2.800 1.500 1.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.64408E-02 ppm1 0.980 ppm2 2.277 CV 1
ASSI { 1032}
( segid " " and resid 90 and name HG1%)
( segid " " and resid 18 and name HD% )
3.100 1.700 1.700 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.36534E-02 ppm1 0.682 ppm2 7.439 CV 1
ASSI { 1034}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 73 and name HA ))
3.900 2.400 2.100 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.82000E-03 ppm1 1.178 ppm2 3.244 CV 1
ASSI { 1035}
( segid " " and resid 68 and name HB% )
( segid " " and resid 81 and name HD1%)
1.900 0.900 0.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.73067E-01 ppm1 1.181 ppm2 0.885 CV 1
ASSI { 1036}
( segid " " and resid 68 and name HB% )
( segid " " and resid 73 and name HD1%)
2.200 1.100 1.100 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.27062E-01 ppm1 1.182 ppm2 0.675 CV 1
ASSI { 1037}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.180 ppm2 1.642 CV 1
ASSI { 1038}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 73 and name HB ))
3.400 1.900 1.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.20161E-02 ppm1 1.183 ppm2 1.901 CV 1
ASSI { 1041}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 89 and name HB2 ))
3.900 2.400 2.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.91743E-03 ppm1 0.242 ppm2 1.838 CV 1
ASSI { 1042}
( segid " " and resid 12 and name HD2%)
(( segid " " and resid 69 and name HA ))
3.800 2.300 2.200 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.10067E-02 ppm1 0.240 ppm2 4.470 CV 1
ASSI { 1043}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 18 and name HD% )
3.000 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.43570E-02 ppm1 0.240 ppm2 7.436 CV 1
ASSI { 1044}
( segid " " and resid 12 and name HD2%)
( segid " " and resid 18 and name HE% )
3.300 1.900 1.900 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.24302E-02 ppm1 0.239 ppm2 7.255 CV 1
ASSI { 1045}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 15 and name HB3 ))
3.500 2.000 2.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.17238E-02 ppm1 0.408 ppm2 4.199 CV 1
ASSI { 1046}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 11 and name HB3 ))
6.000 5.000 0.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.405 ppm2 1.711 CV 1
ASSI { 1047}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 18 and name HD% )
3.100 1.700 1.700 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.37616E-02 ppm1 0.408 ppm2 7.444 CV 1
ASSI { 1048}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HE3 ))
3.600 2.100 2.100 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.13667E-02 ppm1 1.535 ppm2 2.922 CV 1
OR { 1048}
(( segid " " and resid 20 and name HG2 ))
(( segid " " and resid 20 and name HE2 ))
ASSI { 1050}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HA ))
2.800 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.59266E-02 ppm1 1.479 ppm2 4.276 CV 1
ASSI { 1051}
(( segid " " and resid 11 and name HG2 ))
(( segid " " and resid 11 and name HE2 ))
6.000 5.000 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.477 ppm2 2.955 CV 1
ASSI { 1053}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 66 and name HA ))
6.000 5.000 0.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.761 ppm2 4.932 CV 1
ASSI { 1054}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 48 and name HA ))
6.000 5.000 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.764 ppm2 3.909 CV 1
ASSI { 1055}
( segid " " and resid 51 and name HD1%)
(( segid " " and resid 58 and name HA2 ))
6.000 5.000 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.759 ppm2 3.641 CV 1
ASSI { 1056}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.765 ppm2 2.362 CV 1
ASSI { 1057}
(( segid " " and resid 99 and name HB2 ))
(( segid " " and resid 99 and name HB3 ))
1.800 0.900 0.900 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.78207E-01 ppm1 2.297 ppm2 1.949 CV 1
ASSI { 1058}
(( segid " " and resid 41 and name HB ))
(( segid " " and resid 41 and name HA ))
6.000 5.000 0.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.327 ppm2 3.921 CV 1
ASSI { 1059}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 64 and name HA1 ))
6.000 5.000 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.752 ppm2 4.335 CV 1
ASSI { 1062}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 59 and name HD2%)
3.000 1.600 1.600 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.43299E-02 ppm1 3.751 ppm2 0.776 CV 1
OR { 1062}
(( segid " " and resid 65 and name HB3 ))
( segid " " and resid 59 and name HD1%)
ASSI { 1063}
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 59 and name HD2%)
3.600 2.100 2.100 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.13883E-02 ppm1 3.876 ppm2 0.767 CV 1
OR { 1063}
(( segid " " and resid 65 and name HB2 ))
( segid " " and resid 59 and name HD1%)
ASSI { 1064}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 65 and name HB2 ))
6.000 5.000 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.746 ppm2 3.879 CV 1
ASSI { 1065}
(( segid " " and resid 65 and name HB2 ))
(( segid " " and resid 64 and name HA1 ))
6.000 5.000 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.870 ppm2 4.353 CV 1
ASSI { 1066}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HA ))
6.000 5.000 0.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.789 ppm2 4.083 CV 1
ASSI { 1067}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 104 and name HB2 ))
2.900 1.600 1.600 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.49524E-02 ppm1 3.790 ppm2 2.593 CV 1
ASSI { 1068}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 104 and name HB2 ))
3.100 1.700 1.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.35452E-02 ppm1 3.872 ppm2 2.594 CV 1
OR { 1068}
(( segid " " and resid 60 and name HB2 ))
(( segid " " and resid 104 and name HB3 ))
ASSI { 1069}
(( segid " " and resid 60 and name HB3 ))
( segid " " and resid 106 and name HG1%)
2.800 1.500 1.500 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.62784E-02 ppm1 3.790 ppm2 0.946 CV 1
ASSI { 1070}
(( segid " " and resid 60 and name HB2 ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.871 ppm2 0.955 CV 1
ASSI { 1073}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 104 and name HB2 ))
2.600 1.300 1.300 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.10338E-01 ppm1 4.063 ppm2 2.594 CV 1
OR { 1073}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 104 and name HB3 ))
ASSI { 1074}
(( segid " " and resid 60 and name HA ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.064 ppm2 3.879 CV 1
ASSI { 1076}
(( segid " " and resid 13 and name HA ))
( segid " " and resid 13 and name HB% )
6.000 5.000 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.881 ppm2 1.385 CV 1
ASSI { 1078}
( segid " " and resid 55 and name HD1%)
(( segid " " and resid 55 and name HB3 ))
6.000 5.000 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 1.639 CV 1
ASSI { 1079}
( segid " " and resid 55 and name HD1%)
( segid " " and resid 55 and name HD2%)
6.000 5.000 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.805 ppm2 0.789 CV 1
ASSI { 1080}
(( segid " " and resid 102 and name HA ))
( segid " " and resid 102 and name HG2%)
6.000 5.000 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.672 ppm2 1.157 CV 1
ASSI { 1082}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HB ))
6.000 5.000 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.058 ppm2 4.332 CV 1
ASSI { 1083}
( segid " " and resid 41 and name HG2%)
(( segid " " and resid 41 and name HA ))
6.000 5.000 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.060 ppm2 3.937 CV 1
ASSI { 1085}
( segid " " and resid 56 and name HD1%)
(( segid " " and resid 51 and name HA ))
6.000 5.000 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.848 ppm2 4.135 CV 1
ASSI { 1088}
( segid " " and resid 56 and name HD1%)
(( segid " " and resid 56 and name HB3 ))
6.000 5.000 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.849 ppm2 1.321 CV 1
ASSI { 1091}
(( segid " " and resid 88 and name HA1 ))
(( segid " " and resid 89 and name HD2 ))
3.200 1.800 1.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.28145E-02 ppm1 5.033 ppm2 3.650 CV 1
ASSI { 1093}
(( segid " " and resid 88 and name HA2 ))
(( segid " " and resid 88 and name HA1 ))
2.900 1.500 1.500 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.56830E-02 ppm1 3.947 ppm2 5.033 CV 1
ASSI { 1094}
( segid " " and resid 12 and name HD1%)
( segid " " and resid 18 and name HE% )
3.800 2.300 2.200 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.10960E-02 ppm1 0.408 ppm2 7.261 CV 1
ASSI { 1095}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 18 and name HD% )
3.300 1.800 1.800 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.25195E-02 ppm1 4.428 ppm2 7.441 CV 1
ASSI { 1096}
(( segid " " and resid 115 and name HB ))
( segid " " and resid 115 and name HG2%)
6.000 5.000 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.196 ppm2 1.168 CV 1
ASSI { 1097}
(( segid " " and resid 48 and name HA ))
(( segid " " and resid 51 and name HB3 ))
6.000 5.000 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.905 ppm2 1.442 CV 1
ASSI { 1098}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HA ))
6.000 5.000 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.302 ppm2 4.703 CV 1
ASSI { 1102}
(( segid " " and resid 56 and name HB3 ))
(( segid " " and resid 56 and name HG ))
6.000 5.000 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.302 ppm2 1.453 CV 1
ASSI { 1103}
(( segid " " and resid 115 and name HA ))
( segid " " and resid 115 and name HG2%)
6.000 5.000 0.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.316 ppm2 1.180 CV 1
ASSI { 1105}
(( segid " " and resid 60 and name HB3 ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.788 ppm2 3.884 CV 1
ASSI { 1107}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 33 and name HB% )
3.700 2.200 2.200 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.12313E-02 ppm1 5.190 ppm2 1.132 CV 1
ASSI { 1108}
(( segid " " and resid 108 and name HB ))
(( segid " " and resid 109 and name HA ))
4.900 3.500 1.100 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.22705E-03 ppm1 2.093 ppm2 4.663 CV 1
ASSI { 1109}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 92 and name HA ))
3.200 1.800 1.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.27333E-02 ppm1 5.058 ppm2 3.777 CV 1
ASSI { 1110}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 92 and name HD3 ))
3.100 1.700 1.700 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.33016E-02 ppm1 5.058 ppm2 1.555 CV 1
ASSI { 1112}
(( segid " " and resid 88 and name HA1 ))
(( segid " " and resid 89 and name HD3 ))
6.000 5.000 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.032 ppm2 3.570 CV 1
ASSI { 1113}
( segid " " and resid 39 and name HB% )
(( segid " " and resid 40 and name HG2 ))
6.000 5.000 0.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.348 ppm2 2.260 CV 1
ASSI { 1114}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.766 ppm2 2.681 CV 1
ASSI { 1115}
(( segid " " and resid 106 and name HA ))
(( segid " " and resid 60 and name HB2 ))
3.100 1.700 1.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.37346E-02 ppm1 4.542 ppm2 3.874 CV 1
ASSI { 1116}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 17 and name HB% )
5.200 3.800 0.800 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.16210E-03 ppm1 4.430 ppm2 0.955 CV 1
ASSI { 1117}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.772 ppm2 4.185 CV 1
ASSI { 1118}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 89 and name HD3 ))
6.000 5.000 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.807 ppm2 3.569 CV 1
ASSI { 1119}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 89 and name HD2 ))
6.000 5.000 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.806 ppm2 3.647 CV 1
ASSI { 1120}
(( segid " " and resid 116 and name HA ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.352 ppm2 0.900 CV 1
ASSI { 1121}
(( segid " " and resid 17 and name HA ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.005 ppm2 1.887 CV 1
ASSI { 1122}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 106 and name HG2%)
6.000 5.000 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.189 ppm2 0.903 CV 1
ASSI { 1123}
(( segid " " and resid 97 and name HA ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.188 ppm2 0.959 CV 1
ASSI { 1124}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.065 ppm2 1.308 CV 1
ASSI { 1125}
(( segid " " and resid 93 and name HA ))
(( segid " " and resid 94 and name HG12))
6.000 5.000 0.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.064 ppm2 1.388 CV 1
ASSI { 1126}
( segid " " and resid 78 and name HD1%)
( segid " " and resid 68 and name HB% )
6.000 5.000 0.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.619 ppm2 1.178 CV 1
ASSI { 1127}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 77 and name HA2 ))
6.000 5.000 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.644 ppm2 3.933 CV 1
OR { 1127}
( segid " " and resid 78 and name HD2%)
(( segid " " and resid 77 and name HA1 ))
ASSI { 1128}
( segid " " and resid 82 and name HG1%)
(( segid " " and resid 92 and name HA ))
6.000 5.000 0.000 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.727 ppm2 3.777 CV 1
ASSI { 1129}
( segid " " and resid 70 and name HB% )
( segid " " and resid 18 and name HE% )
2.500 1.300 1.300 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.13098E-01 ppm1 1.208 ppm2 7.259 CV 1
ASSI { 1130}
( segid " " and resid 70 and name HB% )
(( segid " " and resid 18 and name HZ ))
6.000 5.000 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.209 ppm2 6.972 CV 1
ASSI { 1131}
(( segid " " and resid 73 and name HA ))
( segid " " and resid 70 and name HB% )
6.000 5.000 0.000 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.243 ppm2 1.205 CV 1
ASSI { 1132}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 78 and name HB3 ))
6.000 5.000 0.000 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.243 ppm2 1.279 CV 1
ASSI { 1133}
(( segid " " and resid 48 and name HB3 ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.001 ppm2 2.765 CV 1
OR { 1133}
(( segid " " and resid 48 and name HB2 ))
(( segid " " and resid 42 and name HB2 ))
ASSI { 1134}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 30 and name HA2 ))
6.000 5.000 0.000 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.497 ppm2 4.111 CV 1
OR { 1134}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 30 and name HA1 ))
ASSI { 1135}
( segid " " and resid 96 and name HB% )
(( segid " " and resid 97 and name HB2 ))
6.000 5.000 0.000 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.110 ppm2 3.021 CV 1
ASSI { 1136}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 84 and name HE1 ))
6.000 5.000 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.565 ppm2 8.323 CV 1
ASSI { 1137}
( segid " " and resid 53 and name HB% )
(( segid " " and resid 75 and name HB3 ))
6.000 5.000 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.471 ppm2 2.067 CV 1
ASSI { 1138}
( segid " " and resid 68 and name HB% )
(( segid " " and resid 72 and name HB2 ))
3.200 1.800 1.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.27333E-02 ppm1 1.183 ppm2 1.862 CV 1
ASSI { 1139}
(( segid " " and resid 65 and name HB3 ))
(( segid " " and resid 37 and name HA ))
6.000 5.000 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.751 ppm2 4.384 CV 1
ASSI { 1140}
(( segid " " and resid 20 and name HE2 ))
(( segid " " and resid 17 and name HA ))
6.000 5.000 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.911 ppm2 4.006 CV 1
OR { 1140}
(( segid " " and resid 20 and name HE3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 1141}
(( segid " " and resid 105 and name HA ))
( segid " " and resid 106 and name HG1%)
4.800 3.400 1.200 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.25384E-03 ppm1 5.062 ppm2 0.959 CV 1
ASSI { 1142}
(( segid " " and resid 39 and name HA ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.060 ppm2 2.771 CV 1
ASSI { 1143}
(( segid " " and resid 42 and name HB3 ))
(( segid " " and resid 47 and name HB3 ))
6.000 5.000 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.721 ppm2 1.408 CV 1
ASSI { 1144}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 98 and name HB3 ))
6.000 5.000 0.000 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.119 ppm2 2.777 CV 1
ASSI { 1145}
( segid " " and resid 73 and name HD1%)
(( segid " " and resid 78 and name HB3 ))
6.000 5.000 0.000 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.684 ppm2 1.277 CV 1
ASSI { 1146}
(( segid " " and resid 68 and name HA ))
(( segid " " and resid 69 and name HD2 ))
6.000 5.000 0.000 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.837 ppm2 1.931 CV 1
ASSI { 1147}
(( segid " " and resid 75 and name HG2 ))
( segid " " and resid 53 and name HB% )
6.000 5.000 0.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.480 ppm2 1.482 CV 1
ASSI { 1149}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 31 and name HB3 ))
6.000 5.000 0.000 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.493 ppm2 4.005 CV 1
OR { 1149}
(( segid " " and resid 99 and name HA ))
(( segid " " and resid 31 and name HB2 ))
ASSI { 1151}
(( segid " " and resid 23 and name HG2 ))
(( segid " " and resid 23 and name HA ))
6.000 5.000 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.366 ppm2 4.031 CV 1
ASSI { 1152}
(( segid " " and resid 23 and name HG3 ))
(( segid " " and resid 23 and name HA ))
6.000 5.000 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.277 ppm2 4.031 CV 1
ASSI { 1155}
(( segid " " and resid 40 and name HA ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.191 ppm2 2.772 CV 1
ASSI { 1156}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.721 ppm2 4.003 CV 1
OR { 1156}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 31 and name HB3 ))
ASSI { 1157}
( segid " " and resid 90 and name HG2%)
(( segid " " and resid 84 and name HD2 ))
6.000 5.000 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.564 ppm2 7.449 CV 1
ASSI { 1158}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 69 and name HG2 ))
6.000 5.000 0.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.118 ppm2 1.595 CV 1
ASSI { 1159}
( segid " " and resid 33 and name HB% )
(( segid " " and resid 69 and name HB3 ))
6.000 5.000 0.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.118 ppm2 1.672 CV 1
ASSI { 1160}
( segid " " and resid 12 and name HD1%)
(( segid " " and resid 11 and name HB2 ))
6.000 5.000 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.406 ppm2 1.863 CV 1
ASSI { 1162}
(( segid " " and resid 109 and name HB2 ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.670 ppm2 0.898 CV 1
ASSI { 1163}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 42 and name HA ))
6.000 5.000 0.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.311 ppm2 4.378 CV 1
ASSI { 1164}
( segid " " and resid 32 and name HD1%)
(( segid " " and resid 27 and name HB3 ))
6.000 5.000 0.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.721 ppm2 2.787 CV 1
ASSI { 1165}
( segid " " and resid 66 and name HB% )
(( segid " " and resid 38 and name HA ))
6.000 5.000 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.312 ppm2 4.097 CV 1
ASSI { 1166}
(( segid " " and resid 105 and name HA ))
(( segid " " and resid 99 and name HB3 ))
6.000 5.000 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 5.067 ppm2 1.957 CV 1
ASSI { 1168}
(( segid " " and resid 37 and name HB3 ))
(( segid " " and resid 40 and name HB3 ))
6.000 5.000 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.890 ppm2 1.952 CV 1
ASSI { 1169}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HG ))
6.000 5.000 0.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.655 ppm2 1.673 CV 1
ASSI { 1170}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB3 ))
6.000 5.000 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.655 ppm2 1.551 CV 1
OR { 1170}
(( segid " " and resid 2 and name HA ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 1171}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HD1%)
6.000 5.000 0.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.656 ppm2 0.908 CV 1
ASSI { 1172}
(( segid " " and resid 2 and name HA ))
( segid " " and resid 2 and name HD2%)
6.000 5.000 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.656 ppm2 0.908 CV 1
ASSI { 1174}
(( segid " " and resid 2 and name HG ))
(( segid " " and resid 2 and name HB3 ))
6.000 5.000 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.677 ppm2 1.548 CV 1
OR { 1174}
(( segid " " and resid 2 and name HG ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 1175}
(( segid " " and resid 2 and name HG ))
( segid " " and resid 2 and name HD1%)
6.000 5.000 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.677 ppm2 0.909 CV 1
ASSI { 1178}
(( segid " " and resid 2 and name HB3 ))
( segid " " and resid 2 and name HD1%)
6.000 5.000 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.562 ppm2 0.908 CV 1
OR { 1178}
(( segid " " and resid 2 and name HB2 ))
( segid " " and resid 2 and name HD1%)
ASSI { 1179}
(( segid " " and resid 2 and name HB2 ))
( segid " " and resid 2 and name HD2%)
6.000 5.000 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.562 ppm2 0.908 CV 1
OR { 1179}
(( segid " " and resid 2 and name HB3 ))
( segid " " and resid 2 and name HD2%)
ASSI { 1182}
( segid " " and resid 2 and name HD2%)
(( segid " " and resid 2 and name HG ))
6.000 5.000 0.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 0.917 ppm2 1.674 CV 1
ASSI { 1186}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB2 ))
6.000 5.000 0.000 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 2.297 CV 1
ASSI { 1187}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HB3 ))
6.000 5.000 0.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 1.912 CV 1
ASSI { 1188}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HD2 ))
6.000 5.000 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 3.855 CV 1
ASSI { 1189}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HD3 ))
6.000 5.000 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 3.613 CV 1
ASSI { 1190}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG2 ))
6.000 5.000 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.408 ppm2 2.017 CV 1
OR { 1190}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 3 and name HG3 ))
ASSI { 1192}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB3 ))
6.000 5.000 0.000 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.298 ppm2 1.914 CV 1
ASSI { 1193}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HD2 ))
6.000 5.000 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.297 ppm2 3.855 CV 1
ASSI { 1194}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HD3 ))
6.000 5.000 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.298 ppm2 3.613 CV 1
ASSI { 1195}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HG2 ))
6.000 5.000 0.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 2.295 ppm2 2.016 CV 1
OR { 1195}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HG3 ))
ASSI { 1198}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HD2 ))
6.000 5.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.910 ppm2 3.855 CV 1
ASSI { 1199}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HD3 ))
6.000 5.000 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.910 ppm2 3.613 CV 1
ASSI { 1200}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HG3 ))
6.000 5.000 0.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 1.908 ppm2 2.015 CV 1
OR { 1200}
(( segid " " and resid 3 and name HB3 ))
(( segid " " and resid 3 and name HG2 ))
ASSI { 1203}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HD3 ))
6.000 5.000 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.853 ppm2 3.613 CV 1
ASSI { 1204}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HG2 ))
6.000 5.000 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.854 ppm2 2.016 CV 1
OR { 1204}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 3 and name HG3 ))
ASSI { 1207}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HG3 ))
6.000 5.000 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 3.610 ppm2 2.016 CV 1
OR { 1207}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 3 and name HG2 ))
ASSI { 1213}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 2 and name HA ))
2.200 1.100 1.100 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.26981E-01 ppm1 3.851 ppm2 4.659 CV 1
ASSI { 1214}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 2 and name HA ))
2.300 1.200 1.200 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.18889E-01 ppm1 3.607 ppm2 4.659 CV 1
ASSI { 1215}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 2 and name HB3 ))
2.800 1.500 1.500 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.67384E-02 ppm1 3.608 ppm2 1.560 CV 1
OR { 1215}
(( segid " " and resid 3 and name HD3 ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 1216}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 2 and name HB3 ))
3.100 1.700 1.700 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.31663E-02 ppm1 3.850 ppm2 1.565 CV 1
OR { 1216}
(( segid " " and resid 3 and name HD2 ))
(( segid " " and resid 2 and name HB2 ))
ASSI { 1217}
(( segid " " and resid 3 and name HD3 ))
( segid " " and resid 2 and name HD1%)
3.000 1.600 1.600 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.43840E-02 ppm1 3.607 ppm2 0.902 CV 1
ASSI { 1218}
(( segid " " and resid 3 and name HD2 ))
( segid " " and resid 2 and name HD1%)
3.100 1.700 1.700 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.35722E-02 ppm1 3.846 ppm2 0.905 CV 1
ASSI { 1219}
(( segid " " and resid 3 and name HA ))
( segid " " and resid 7 and name HB% )
6.000 5.000 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.405 ppm2 1.368 CV 1
ASSI { 1220}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 25 and name HB ))
6.000 5.000 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.629 ppm2 4.187 CV 1
ASSI { 1222}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 25 and name HG2%)
6.000 5.000 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.187 ppm2 1.129 CV 1
ASSI { 1223}
(( segid " " and resid 25 and name HB ))
( segid " " and resid 26 and name HG2%)
6.000 5.000 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.184 ppm2 0.893 CV 1
ASSI { 1224}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 108 and name HB ))
6.000 5.000 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.187 ppm2 2.102 CV 1
ASSI { 1225}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 27 and name HB3 ))
6.000 5.000 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.191 ppm2 2.802 CV 1
ASSI { 1226}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 4.584 ppm2 2.815 CV 1
ASSI { 1}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 81 and name HA ))
6.000 5.000 0.000 peak 1 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.713 ppm2 4.423 CV 1
ASSI { 2}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
6.000 5.000 0.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.481 ppm2 4.759 CV 1
ASSI { 3}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
6.000 5.000 0.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.479 ppm2 3.036 CV 1
ASSI { 4}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB3 ))
4.100 2.600 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.35692E-03 ppm1 8.483 ppm2 2.786 CV 1
ASSI { 5}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.700 1.400 1.400 peak 5 spectrum 1 weight 0.10000E+01 volume 0.42779E-02 ppm1 9.174 ppm2 4.728 CV 1
ASSI { 6}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB ))
3.100 1.700 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.18594E-02 ppm1 9.174 ppm2 1.912 CV 1
ASSI { 7}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HG12))
3.300 1.800 1.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.13588E-02 ppm1 9.173 ppm2 1.626 CV 1
ASSI { 8}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HD1%)
2.900 1.600 1.600 peak 8 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 9.172 ppm2 0.728 CV 1
ASSI { 9}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 32 and name HG2%)
2.500 1.300 1.300 peak 9 spectrum 1 weight 0.10000E+01 volume 0.70865E-02 ppm1 9.173 ppm2 0.998 CV 1
ASSI { 10}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
3.600 2.100 2.100 peak 10 spectrum 1 weight 0.10000E+01 volume 0.70215E-03 ppm1 7.931 ppm2 9.170 CV 1
ASSI { 11}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
3.600 2.100 2.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.79315E-03 ppm1 9.177 ppm2 5.016 CV 1
ASSI { 12}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HA ))
3.000 1.600 1.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.23145E-02 ppm1 7.933 ppm2 5.016 CV 1
ASSI { 13}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HB% )
6.000 5.000 0.000 peak 13 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.173 ppm2 1.130 CV 1
ASSI { 14}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HB% )
2.500 1.300 1.300 peak 14 spectrum 1 weight 0.10000E+01 volume 0.61243E-02 ppm1 7.933 ppm2 1.137 CV 1
ASSI { 16}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HN ))
3.900 2.400 2.100 peak 16 spectrum 1 weight 0.10000E+01 volume 0.48240E-03 ppm1 9.435 ppm2 7.917 CV 1
ASSI { 17}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HA ))
3.200 1.800 1.800 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 7.934 ppm2 5.973 CV 1
ASSI { 18}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.900 1.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 7.932 ppm2 3.806 CV 1
ASSI { 19}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
3.900 2.400 2.100 peak 19 spectrum 1 weight 0.10000E+01 volume 0.42779E-03 ppm1 7.928 ppm2 2.379 CV 1
ASSI { 21}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.23925E-02 ppm1 9.432 ppm2 6.003 CV 1
ASSI { 22}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.300 1.900 1.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 9.438 ppm2 2.929 CV 1
ASSI { 23}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB3 ))
3.400 1.900 1.900 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 9.434 ppm2 2.607 CV 1
ASSI { 24}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
6.000 5.000 0.000 peak 24 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.360 ppm2 5.388 CV 1
ASSI { 25}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
2.800 1.500 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.34717E-02 ppm1 8.913 ppm2 5.377 CV 1
ASSI { 26}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB2 ))
6.000 5.000 0.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.355 ppm2 2.738 CV 1
ASSI { 27}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.300 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 8.916 ppm2 2.740 CV 1
ASSI { 28}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.600 2.100 2.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.79315E-03 ppm1 8.355 ppm2 2.517 CV 1
ASSI { 29}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.800 2.300 2.200 peak 29 spectrum 1 weight 0.10000E+01 volume 0.55132E-03 ppm1 8.915 ppm2 2.535 CV 1
ASSI { 30}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
3.300 1.800 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.13653E-02 ppm1 8.912 ppm2 4.373 CV 1
ASSI { 31}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
4.000 2.500 2.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.40438E-03 ppm1 8.913 ppm2 4.242 CV 1
ASSI { 32}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB3 ))
3.300 1.900 1.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 8.914 ppm2 3.898 CV 1
ASSI { 33}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
3.200 1.800 1.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 8.659 ppm2 3.815 CV 1
ASSI { 34}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 70 and name HB% )
2.600 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.56757E-02 ppm1 8.658 ppm2 1.211 CV 1
ASSI { 35}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
2.800 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.34132E-02 ppm1 7.010 ppm2 8.640 CV 1
ASSI { 36}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
2.600 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.52336E-02 ppm1 8.659 ppm2 4.177 CV 1
ASSI { 37}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
3.300 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11442E-02 ppm1 7.007 ppm2 4.157 CV 1
ASSI { 38}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
2.400 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.82565E-02 ppm1 8.659 ppm2 3.919 CV 1
OR { 38}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
ASSI { 39}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB2 ))
6.000 5.000 0.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.005 ppm2 3.925 CV 1
OR { 39}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB3 ))
ASSI { 42}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.900 1.500 1.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 7.004 ppm2 4.292 CV 1
ASSI { 43}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
3.000 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.23730E-02 ppm1 8.069 ppm2 4.286 CV 1
ASSI { 44}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB2 ))
2.700 1.400 1.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.41544E-02 ppm1 7.008 ppm2 1.862 CV 1
ASSI { 45}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB2 ))
6.000 5.000 0.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.072 ppm2 1.865 CV 1
ASSI { 46}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB3 ))
2.400 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.76065E-02 ppm1 7.008 ppm2 1.636 CV 1
ASSI { 47}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.070 ppm2 1.637 CV 1
ASSI { 48}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB ))
6.000 5.000 0.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.072 ppm2 1.907 CV 1
ASSI { 49}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG12))
6.000 5.000 0.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.067 ppm2 1.733 CV 1
ASSI { 50}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HG13))
6.000 5.000 0.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.067 ppm2 0.803 CV 1
ASSI { 54}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
3.000 1.600 1.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 8.103 ppm2 4.450 CV 1
ASSI { 55}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
6.000 5.000 0.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.938 ppm2 4.449 CV 1
ASSI { 56}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB2 ))
3.400 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.96868E-03 ppm1 8.105 ppm2 2.713 CV 1
ASSI { 57}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB2 ))
2.900 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.24705E-02 ppm1 7.937 ppm2 2.727 CV 1
ASSI { 58}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB3 ))
2.900 1.500 1.500 peak 58 spectrum 1 weight 0.10000E+01 volume 0.28801E-02 ppm1 8.105 ppm2 2.549 CV 1
ASSI { 59}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB3 ))
6.000 5.000 0.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 2.543 CV 1
ASSI { 61}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
2.500 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.62608E-02 ppm1 7.935 ppm2 4.083 CV 1
ASSI { 62}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
4.300 2.800 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.25876E-03 ppm1 8.349 ppm2 4.094 CV 1
ASSI { 63}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB2 ))
6.000 5.000 0.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 2.283 CV 1
ASSI { 64}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB2 ))
3.200 1.700 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 8.348 ppm2 2.288 CV 1
ASSI { 65}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB3 ))
2.600 1.300 1.300 peak 65 spectrum 1 weight 0.10000E+01 volume 0.55326E-02 ppm1 7.935 ppm2 2.070 CV 1
ASSI { 66}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB3 ))
3.300 1.800 1.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.13068E-02 ppm1 8.348 ppm2 2.067 CV 1
ASSI { 67}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HN ))
2.500 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.68914E-02 ppm1 7.792 ppm2 8.333 CV 1
ASSI { 68}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 76 and name HN ))
3.400 1.900 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.11117E-02 ppm1 7.590 ppm2 8.337 CV 1
ASSI { 69}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
2.700 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.37383E-02 ppm1 8.349 ppm2 4.380 CV 1
ASSI { 70}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HA ))
2.800 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.35953E-02 ppm1 7.793 ppm2 4.387 CV 1
ASSI { 71}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.347 ppm2 1.645 CV 1
ASSI { 72}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB2 ))
6.000 5.000 0.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.788 ppm2 1.645 CV 1
ASSI { 73}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB3 ))
6.000 5.000 0.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.344 ppm2 1.535 CV 1
ASSI { 74}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 76 and name HB3 ))
6.000 5.000 0.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.787 ppm2 1.526 CV 1
ASSI { 75}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.349 ppm2 0.808 CV 1
ASSI { 76}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 76 and name HD2%)
6.000 5.000 0.000 peak 76 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.349 ppm2 0.787 CV 1
ASSI { 78}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HN ))
2.800 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.35173E-02 ppm1 7.586 ppm2 7.775 CV 1
ASSI { 79}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA2 ))
2.200 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.15993E-01 ppm1 7.790 ppm2 3.938 CV 1
OR { 79}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 77 and name HA1 ))
ASSI { 80}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA2 ))
2.800 1.500 1.500 peak 80 spectrum 1 weight 0.10000E+01 volume 0.33157E-02 ppm1 7.587 ppm2 3.936 CV 1
ASSI { 82}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HN ))
6.000 5.000 0.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.033 ppm2 7.579 CV 1
ASSI { 83}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HA ))
6.000 6.000 0.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.12093E-04 ppm1 7.586 ppm2 4.561 CV 1
ASSI { 84}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
2.600 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.50191E-02 ppm1 8.034 ppm2 4.568 CV 1
ASSI { 85}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB2 ))
3.000 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 7.587 ppm2 1.843 CV 1
ASSI { 86}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.300 1.900 1.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 7.589 ppm2 1.276 CV 1
ASSI { 87}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.400 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.10207E-02 ppm1 8.033 ppm2 1.280 CV 1
ASSI { 88}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HG ))
2.600 1.300 1.300 peak 88 spectrum 1 weight 0.10000E+01 volume 0.55651E-02 ppm1 7.587 ppm2 1.570 CV 1
ASSI { 89}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 78 and name HD1%)
2.900 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.28541E-02 ppm1 7.587 ppm2 0.622 CV 1
ASSI { 90}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 78 and name HD2%)
3.000 1.600 1.600 peak 90 spectrum 1 weight 0.10000E+01 volume 0.24445E-02 ppm1 7.587 ppm2 0.643 CV 1
ASSI { 91}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HN ))
2.500 1.300 1.300 peak 91 spectrum 1 weight 0.10000E+01 volume 0.65664E-02 ppm1 8.880 ppm2 8.031 CV 1
ASSI { 92}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
2.600 1.400 1.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.50516E-02 ppm1 8.035 ppm2 3.871 CV 1
ASSI { 93}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
4.200 2.700 1.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.28411E-03 ppm1 8.879 ppm2 3.864 CV 1
ASSI { 94}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB2 ))
2.500 1.300 1.300 peak 94 spectrum 1 weight 0.10000E+01 volume 0.62478E-02 ppm1 8.039 ppm2 1.737 CV 1
ASSI { 95}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HB2 ))
3.800 2.300 2.200 peak 95 spectrum 1 weight 0.10000E+01 volume 0.56237E-03 ppm1 8.880 ppm2 1.745 CV 1
ASSI { 96}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB3 ))
6.000 5.000 0.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.035 ppm2 1.619 CV 1
ASSI { 97}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HB3 ))
3.600 2.100 2.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.70865E-03 ppm1 8.880 ppm2 1.627 CV 1
ASSI { 98}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 79 and name HD2%)
6.000 5.000 0.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.880 ppm2 0.808 CV 1
ASSI { 100}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HN ))
2.800 1.500 1.500 peak 100 spectrum 1 weight 0.10000E+01 volume 0.31207E-02 ppm1 7.488 ppm2 8.865 CV 1
ASSI { 101}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA ))
2.700 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.43429E-02 ppm1 8.880 ppm2 4.220 CV 1
ASSI { 102}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA ))
3.700 2.200 2.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.58967E-03 ppm1 7.487 ppm2 4.221 CV 1
ASSI { 103}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 80 and name HB% )
2.200 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.13263E-01 ppm1 8.881 ppm2 1.390 CV 1
ASSI { 106}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
3.500 2.000 2.000 peak 106 spectrum 1 weight 0.10000E+01 volume 0.89066E-03 ppm1 7.490 ppm2 4.426 CV 1
ASSI { 107}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HA ))
3.200 1.800 1.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.14108E-02 ppm1 7.809 ppm2 4.426 CV 1
ASSI { 108}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.100 1.700 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.16643E-02 ppm1 7.487 ppm2 1.853 CV 1
ASSI { 109}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB3 ))
3.300 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.13588E-02 ppm1 7.489 ppm2 1.529 CV 1
ASSI { 110}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HG ))
6.000 5.000 0.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 1.414 CV 1
ASSI { 111}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 81 and name HD1%)
6.000 5.000 0.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 0.899 CV 1
ASSI { 112}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 81 and name HD2%)
6.000 5.000 0.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.490 ppm2 0.699 CV 1
ASSI { 113}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 82 and name HN ))
2.700 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.38163E-02 ppm1 7.489 ppm2 7.799 CV 1
ASSI { 114}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
2.900 1.500 1.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.27631E-02 ppm1 7.808 ppm2 5.075 CV 1
ASSI { 115}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB ))
6.000 5.000 0.000 peak 115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.808 ppm2 2.086 CV 1
ASSI { 116}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB ))
6.000 5.000 0.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.714 ppm2 2.084 CV 1
ASSI { 117}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HG1%)
6.000 5.000 0.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.808 ppm2 0.731 CV 1
ASSI { 118}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 82 and name HG2%)
6.000 5.000 0.000 peak 118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.808 ppm2 0.781 CV 1
ASSI { 119}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG2%)
2.800 1.500 1.500 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35823E-02 ppm1 8.716 ppm2 0.781 CV 1
ASSI { 120}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 83 and name HN ))
2.900 1.600 1.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.24900E-02 ppm1 7.806 ppm2 8.716 CV 1
ASSI { 121}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HA ))
2.200 1.100 1.100 peak 121 spectrum 1 weight 0.10000E+01 volume 0.13523E-01 ppm1 8.859 ppm2 5.053 CV 1
ASSI { 122}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB2 ))
2.800 1.500 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.34782E-02 ppm1 8.717 ppm2 2.464 CV 1
ASSI { 123}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB2 ))
2.800 1.500 1.500 peak 123 spectrum 1 weight 0.10000E+01 volume 0.35692E-02 ppm1 8.859 ppm2 2.458 CV 1
ASSI { 124}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB3 ))
6.000 5.000 0.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.711 ppm2 2.144 CV 1
ASSI { 125}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HN ))
3.500 2.000 2.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.95574E-03 ppm1 7.229 ppm2 8.850 CV 1
ASSI { 126}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA ))
2.700 1.400 1.400 peak 126 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 8.860 ppm2 4.598 CV 1
ASSI { 128}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA ))
2.600 1.300 1.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.58252E-02 ppm1 7.229 ppm2 4.599 CV 1
ASSI { 129}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB2 ))
6.000 5.000 0.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.856 ppm2 3.086 CV 1
ASSI { 130}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB2 ))
3.600 2.100 2.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.78013E-03 ppm1 7.227 ppm2 3.097 CV 1
ASSI { 131}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HB3 ))
6.000 5.000 0.000 peak 131 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.858 ppm2 3.194 CV 1
ASSI { 132}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HB3 ))
3.400 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 7.227 ppm2 3.199 CV 1
ASSI { 134}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
3.100 1.700 1.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.19309E-02 ppm1 7.229 ppm2 4.863 CV 1
ASSI { 135}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
2.800 1.500 1.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 9.235 ppm2 4.852 CV 1
ASSI { 136}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB ))
4.000 2.500 2.000 peak 136 spectrum 1 weight 0.10000E+01 volume 0.38098E-03 ppm1 7.228 ppm2 4.455 CV 1
ASSI { 137}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB ))
2.700 1.400 1.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.43559E-02 ppm1 9.234 ppm2 4.454 CV 1
ASSI { 138}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 85 and name HG2%)
3.400 1.900 1.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 8.860 ppm2 1.166 CV 1
ASSI { 139}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HG2%)
2.800 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.32116E-02 ppm1 7.227 ppm2 1.162 CV 1
ASSI { 140}
(( segid " " and resid 86 and name HN ))
( segid " " and resid 85 and name HG2%)
2.900 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 9.234 ppm2 1.153 CV 1
ASSI { 141}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 85 and name HG2%)
3.300 1.900 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12418E-02 ppm1 7.891 ppm2 1.162 CV 1
ASSI { 142}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HN ))
3.900 2.400 2.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.47135E-03 ppm1 7.224 ppm2 9.222 CV 1
ASSI { 143}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HN ))
2.600 1.400 1.400 peak 143 spectrum 1 weight 0.10000E+01 volume 0.49996E-02 ppm1 7.896 ppm2 9.222 CV 1
ASSI { 144}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HA ))
2.800 1.500 1.500 peak 144 spectrum 1 weight 0.10000E+01 volume 0.31402E-02 ppm1 9.234 ppm2 4.108 CV 1
ASSI { 145}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
3.100 1.700 1.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.18854E-02 ppm1 7.891 ppm2 4.107 CV 1
ASSI { 146}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB2 ))
6.000 5.000 0.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.234 ppm2 2.158 CV 1
ASSI { 147}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB2 ))
6.000 5.000 0.000 peak 147 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.891 ppm2 2.150 CV 1
ASSI { 148}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB3 ))
6.000 5.000 0.000 peak 148 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.236 ppm2 2.080 CV 1
ASSI { 149}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB3 ))
6.000 5.000 0.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.891 ppm2 2.087 CV 1
ASSI { 151}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HN ))
2.600 1.300 1.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.56887E-02 ppm1 7.390 ppm2 7.877 CV 1
ASSI { 152}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
6.000 5.000 0.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.890 ppm2 4.545 CV 1
ASSI { 153}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HA ))
2.900 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.29451E-02 ppm1 7.387 ppm2 4.535 CV 1
ASSI { 154}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
6.000 5.000 0.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.894 ppm2 2.349 CV 1
ASSI { 155}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB3 ))
2.600 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.55521E-02 ppm1 7.893 ppm2 1.708 CV 1
ASSI { 156}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HB3 ))
3.000 1.700 1.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.20609E-02 ppm1 7.388 ppm2 1.703 CV 1
ASSI { 158}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HA2 ))
3.000 1.600 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.22300E-02 ppm1 7.391 ppm2 3.949 CV 1
ASSI { 159}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HA ))
2.800 1.500 1.500 peak 159 spectrum 1 weight 0.10000E+01 volume 0.36537E-02 ppm1 8.224 ppm2 5.207 CV 1
ASSI { 160}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HA ))
4.000 2.500 2.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.39594E-03 ppm1 8.218 ppm2 4.441 CV 1
ASSI { 161}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HA ))
3.100 1.700 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.18334E-02 ppm1 9.694 ppm2 4.442 CV 1
ASSI { 162}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB ))
6.000 5.000 0.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.223 ppm2 2.213 CV 1
ASSI { 163}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 90 and name HG1%)
6.000 5.000 0.000 peak 163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.225 ppm2 0.701 CV 1
ASSI { 164}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 90 and name HG1%)
3.300 1.900 1.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 9.694 ppm2 0.694 CV 1
ASSI { 165}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 90 and name HG2%)
2.800 1.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.32312E-02 ppm1 8.221 ppm2 0.564 CV 1
ASSI { 166}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 90 and name HG2%)
3.100 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.16709E-02 ppm1 9.696 ppm2 0.572 CV 1
ASSI { 167}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA ))
3.200 1.700 1.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 9.693 ppm2 4.957 CV 1
ASSI { 168}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 91 and name HA ))
3.200 1.700 1.700 peak 168 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 8.768 ppm2 4.962 CV 1
ASSI { 169}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HB2 ))
3.400 1.900 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 9.697 ppm2 3.171 CV 1
ASSI { 170}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HB3 ))
3.100 1.700 1.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.17684E-02 ppm1 9.696 ppm2 2.475 CV 1
ASSI { 171}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HN ))
3.300 1.800 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.13523E-02 ppm1 9.188 ppm2 8.764 CV 1
ASSI { 172}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
3.600 2.100 2.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.77366E-03 ppm1 9.194 ppm2 3.777 CV 1
ASSI { 173}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HN ))
3.200 1.800 1.800 peak 173 spectrum 1 weight 0.10000E+01 volume 0.14823E-02 ppm1 7.590 ppm2 9.182 CV 1
ASSI { 174}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HA ))
2.800 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.32312E-02 ppm1 9.193 ppm2 5.085 CV 1
ASSI { 175}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HA ))
3.500 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.87117E-03 ppm1 7.587 ppm2 5.075 CV 1
ASSI { 176}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB2 ))
3.500 2.100 2.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.82565E-03 ppm1 9.191 ppm2 3.172 CV 1
ASSI { 177}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HB2 ))
2.700 1.400 1.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.38813E-02 ppm1 7.587 ppm2 3.176 CV 1
ASSI { 178}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB3 ))
3.100 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.19634E-02 ppm1 9.194 ppm2 2.977 CV 1
ASSI { 179}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HB3 ))
2.700 1.400 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.40503E-02 ppm1 7.588 ppm2 2.982 CV 1
ASSI { 181}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HA ))
6.000 5.000 0.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.595 ppm2 4.191 CV 1
ASSI { 182}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA ))
2.400 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.78013E-02 ppm1 8.409 ppm2 4.198 CV 1
ASSI { 183}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HA ))
3.500 2.000 2.000 peak 183 spectrum 1 weight 0.10000E+01 volume 0.95574E-03 ppm1 8.410 ppm2 4.863 CV 1
ASSI { 184}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB ))
2.700 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.44859E-02 ppm1 8.408 ppm2 1.912 CV 1
ASSI { 185}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HB ))
3.700 2.200 2.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.59488E-03 ppm1 9.277 ppm2 1.909 CV 1
ASSI { 186}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.406 ppm2 0.933 CV 1
ASSI { 187}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 96 and name HA ))
3.500 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.89720E-03 ppm1 9.278 ppm2 5.100 CV 1
ASSI { 188}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 96 and name HA ))
2.800 1.400 1.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.36993E-02 ppm1 9.050 ppm2 5.098 CV 1
ASSI { 189}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 96 and name HB% )
3.400 1.900 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10857E-02 ppm1 9.282 ppm2 1.107 CV 1
ASSI { 190}
(( segid " " and resid 97 and name HN ))
( segid " " and resid 96 and name HB% )
2.700 1.400 1.400 peak 190 spectrum 1 weight 0.10000E+01 volume 0.42064E-02 ppm1 9.049 ppm2 1.106 CV 1
ASSI { 191}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HB2 ))
3.300 1.900 1.900 peak 191 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 9.050 ppm2 3.023 CV 1
ASSI { 192}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HB3 ))
3.200 1.800 1.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.13848E-02 ppm1 9.048 ppm2 2.676 CV 1
ASSI { 193}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HA ))
3.000 1.600 1.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.23730E-02 ppm1 9.134 ppm2 5.186 CV 1
ASSI { 194}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB2 ))
4.200 2.700 1.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.28541E-03 ppm1 9.131 ppm2 3.125 CV 1
ASSI { 195}
(( segid " " and resid 98 and name HN ))
(( segid " " and resid 98 and name HB3 ))
4.300 2.800 1.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.25551E-03 ppm1 9.132 ppm2 2.789 CV 1
ASSI { 196}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HA ))
2.300 1.200 1.200 peak 196 spectrum 1 weight 0.10000E+01 volume 0.10727E-01 ppm1 8.569 ppm2 4.492 CV 1
ASSI { 197}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 99 and name HB3 ))
6.000 5.000 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.567 ppm2 1.956 CV 1
ASSI { 198}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HN ))
3.300 1.900 1.900 peak 198 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 8.784 ppm2 8.562 CV 1
ASSI { 199}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HA ))
2.700 1.400 1.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.40503E-02 ppm1 8.567 ppm2 4.165 CV 1
ASSI { 200}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HA1 ))
2.100 1.100 1.100 peak 200 spectrum 1 weight 0.10000E+01 volume 0.18464E-01 ppm1 8.784 ppm2 4.163 CV 1
ASSI { 201}
(( segid " " and resid 100 and name HN ))
(( segid " " and resid 100 and name HB3 ))
6.000 5.000 0.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.569 ppm2 1.962 CV 1
ASSI { 202}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB2 ))
2.600 1.300 1.300 peak 202 spectrum 1 weight 0.10000E+01 volume 0.57927E-02 ppm1 8.784 ppm2 1.977 CV 1
OR { 202}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HB3 ))
ASSI { 204}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HA1 ))
2.700 1.400 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.42844E-02 ppm1 7.695 ppm2 4.162 CV 1
ASSI { 205}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 101 and name HA2 ))
2.500 1.300 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.71515E-02 ppm1 8.784 ppm2 3.829 CV 1
ASSI { 206}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 101 and name HA2 ))
2.800 1.500 1.500 peak 206 spectrum 1 weight 0.10000E+01 volume 0.31986E-02 ppm1 7.693 ppm2 3.831 CV 1
ASSI { 207}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 102 and name HN ))
2.700 1.400 1.400 peak 207 spectrum 1 weight 0.10000E+01 volume 0.38813E-02 ppm1 8.784 ppm2 7.680 CV 1
ASSI { 209}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.695 ppm2 4.337 CV 1
ASSI { 210}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HB ))
6.000 5.000 0.000 peak 210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.107 ppm2 4.318 CV 1
ASSI { 211}
(( segid " " and resid 102 and name HN ))
( segid " " and resid 102 and name HG2%)
2.800 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.36603E-02 ppm1 7.693 ppm2 1.160 CV 1
ASSI { 212}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HN ))
6.000 5.000 0.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.944 ppm2 8.122 CV 1
ASSI { 213}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.108 ppm2 4.342 CV 1
ASSI { 214}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.944 ppm2 4.332 CV 1
ASSI { 215}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 103 and name HB ))
6.000 5.000 0.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.107 ppm2 4.195 CV 1
ASSI { 216}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 103 and name HB ))
6.000 5.000 0.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.940 ppm2 4.191 CV 1
ASSI { 217}
(( segid " " and resid 103 and name HN ))
( segid " " and resid 103 and name HG2%)
2.800 1.500 1.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.34523E-02 ppm1 8.105 ppm2 1.184 CV 1
ASSI { 218}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HN ))
3.200 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.16448E-02 ppm1 8.620 ppm2 7.933 CV 1
ASSI { 219}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HA ))
3.100 1.700 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.18464E-02 ppm1 7.943 ppm2 4.893 CV 1
ASSI { 220}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HA ))
2.600 1.300 1.300 peak 220 spectrum 1 weight 0.10000E+01 volume 0.52141E-02 ppm1 8.622 ppm2 4.876 CV 1
ASSI { 221}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HB3 ))
2.400 1.200 1.200 peak 221 spectrum 1 weight 0.10000E+01 volume 0.81918E-02 ppm1 7.944 ppm2 2.600 CV 1
OR { 221}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HB2 ))
ASSI { 222}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HB2 ))
6.000 5.000 0.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.620 ppm2 2.609 CV 1
ASSI { 224}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HN ))
6.000 5.000 0.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.714 ppm2 8.613 CV 1
ASSI { 225}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HA ))
3.500 2.000 2.000 peak 225 spectrum 1 weight 0.10000E+01 volume 0.88419E-03 ppm1 8.623 ppm2 5.083 CV 1
ASSI { 226}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HA ))
2.500 1.300 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.60983E-02 ppm1 8.712 ppm2 5.074 CV 1
ASSI { 227}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HB2 ))
2.900 1.500 1.500 peak 227 spectrum 1 weight 0.10000E+01 volume 0.28996E-02 ppm1 8.622 ppm2 3.351 CV 1
ASSI { 228}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HB2 ))
3.000 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.23470E-02 ppm1 8.716 ppm2 3.348 CV 1
ASSI { 229}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 105 and name HB3 ))
6.000 5.000 0.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 2.509 CV 1
ASSI { 230}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 105 and name HB3 ))
3.200 1.800 1.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.15798E-02 ppm1 8.713 ppm2 2.505 CV 1
ASSI { 231}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HN ))
4.100 2.600 1.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.36082E-03 ppm1 8.886 ppm2 8.703 CV 1
ASSI { 232}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HA ))
3.200 1.800 1.800 peak 232 spectrum 1 weight 0.10000E+01 volume 0.15734E-02 ppm1 8.711 ppm2 4.544 CV 1
ASSI { 233}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HA ))
2.300 1.200 1.200 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11313E-01 ppm1 8.887 ppm2 4.547 CV 1
ASSI { 234}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 106 and name HB ))
2.600 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.52011E-02 ppm1 8.716 ppm2 2.006 CV 1
ASSI { 235}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 106 and name HB ))
2.800 1.500 1.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.35042E-02 ppm1 8.887 ppm2 2.014 CV 1
ASSI { 236}
(( segid " " and resid 106 and name HN ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.714 ppm2 0.954 CV 1
ASSI { 237}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HN ))
5.400 4.200 0.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.64234E-04 ppm1 8.490 ppm2 8.889 CV 1
ASSI { 238}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 107 and name HA ))
3.000 1.600 1.600 peak 238 spectrum 1 weight 0.10000E+01 volume 0.23860E-02 ppm1 8.888 ppm2 4.258 CV 1
ASSI { 239}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 107 and name HA ))
6.000 5.000 0.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.487 ppm2 4.279 CV 1
ASSI { 240}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 107 and name HB% )
2.300 1.200 1.200 peak 240 spectrum 1 weight 0.10000E+01 volume 0.11182E-01 ppm1 8.887 ppm2 1.411 CV 1
ASSI { 241}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 107 and name HB% )
2.600 1.300 1.300 peak 241 spectrum 1 weight 0.10000E+01 volume 0.55976E-02 ppm1 8.490 ppm2 1.411 CV 1
ASSI { 242}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HA ))
6.000 5.000 0.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.489 ppm2 4.169 CV 1
ASSI { 243}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HA ))
2.000 1.000 1.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.22494E-01 ppm1 8.401 ppm2 4.174 CV 1
ASSI { 244}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 108 and name HB ))
2.900 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.26201E-02 ppm1 8.490 ppm2 2.096 CV 1
ASSI { 245}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 108 and name HB ))
6.000 5.000 0.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.401 ppm2 2.098 CV 1
ASSI { 246}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.491 ppm2 0.901 CV 1
ASSI { 247}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 108 and name HG2%)
6.000 5.000 0.000 peak 247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.489 ppm2 0.854 CV 1
ASSI { 248}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HA ))
2.400 1.200 1.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.88419E-02 ppm1 8.401 ppm2 4.673 CV 1
ASSI { 249}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB2 ))
6.000 5.000 0.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.402 ppm2 2.698 CV 1
ASSI { 250}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HB2 ))
6.000 5.000 0.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.444 ppm2 2.701 CV 1
ASSI { 252}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HA ))
2.200 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.15993E-01 ppm1 8.361 ppm2 4.693 CV 1
ASSI { 253}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HB2 ))
6.000 5.000 0.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.446 ppm2 2.853 CV 1
ASSI { 254}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HB2 ))
6.000 5.000 0.000 peak 254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.357 ppm2 2.861 CV 1
ASSI { 255}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HB3 ))
6.000 5.000 0.000 peak 255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.446 ppm2 2.767 CV 1
ASSI { 256}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 110 and name HB3 ))
6.000 5.000 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.354 ppm2 2.774 CV 1
ASSI { 257}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 111 and name HA ))
2.300 1.200 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 8.393 ppm2 4.288 CV 1
ASSI { 258}
(( segid " " and resid 111 and name HN ))
( segid " " and resid 111 and name HB% )
6.000 5.000 0.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.365 ppm2 1.422 CV 1
ASSI { 259}
(( segid " " and resid 112 and name HN ))
( segid " " and resid 111 and name HB% )
2.400 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.78668E-02 ppm1 8.391 ppm2 1.414 CV 1
ASSI { 260}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HN ))
2.400 1.200 1.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.87117E-02 ppm1 8.127 ppm2 8.393 CV 1
ASSI { 261}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HA1 ))
6.000 5.000 0.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.389 ppm2 3.941 CV 1
OR { 261}
(( segid " " and resid 112 and name HN ))
(( segid " " and resid 112 and name HA2 ))
ASSI { 262}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HA1 ))
2.100 1.100 1.100 peak 262 spectrum 1 weight 0.10000E+01 volume 0.17098E-01 ppm1 8.126 ppm2 3.944 CV 1
OR { 262}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 112 and name HA2 ))
ASSI { 263}
(( segid " " and resid 113 and name HN ))
(( segid " " and resid 113 and name HA ))
2.300 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.98824E-02 ppm1 8.126 ppm2 4.319 CV 1
ASSI { 264}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 113 and name HA ))
2.300 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.12158E-01 ppm1 8.424 ppm2 4.321 CV 1
ASSI { 265}
(( segid " " and resid 113 and name HN ))
( segid " " and resid 113 and name HB% )
2.200 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.12547E-01 ppm1 8.126 ppm2 1.409 CV 1
ASSI { 266}
(( segid " " and resid 114 and name HN ))
( segid " " and resid 113 and name HB% )
2.800 1.500 1.500 peak 266 spectrum 1 weight 0.10000E+01 volume 0.33287E-02 ppm1 8.423 ppm2 1.411 CV 1
ASSI { 267}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HN ))
6.000 5.000 0.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.030 ppm2 8.416 CV 1
ASSI { 268}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HA1 ))
2.200 1.100 1.100 peak 268 spectrum 1 weight 0.10000E+01 volume 0.15993E-01 ppm1 8.424 ppm2 3.986 CV 1
OR { 268}
(( segid " " and resid 114 and name HN ))
(( segid " " and resid 114 and name HA2 ))
ASSI { 269}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HA2 ))
2.200 1.100 1.100 peak 269 spectrum 1 weight 0.10000E+01 volume 0.16059E-01 ppm1 8.029 ppm2 3.982 CV 1
OR { 269}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 114 and name HA1 ))
ASSI { 270}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HA ))
2.500 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.59227E-02 ppm1 8.029 ppm2 4.315 CV 1
ASSI { 271}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HA ))
6.000 5.000 0.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 4.323 CV 1
ASSI { 272}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 115 and name HB ))
2.800 1.500 1.500 peak 272 spectrum 1 weight 0.10000E+01 volume 0.30752E-02 ppm1 8.027 ppm2 4.184 CV 1
ASSI { 273}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 115 and name HB ))
6.000 5.000 0.000 peak 273 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 4.194 CV 1
ASSI { 274}
(( segid " " and resid 115 and name HN ))
( segid " " and resid 115 and name HG2%)
2.900 1.600 1.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.26201E-02 ppm1 8.029 ppm2 1.181 CV 1
ASSI { 275}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HA ))
6.000 5.000 0.000 peak 275 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.363 ppm2 4.353 CV 1
ASSI { 276}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HA ))
6.000 5.000 0.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.411 ppm2 4.364 CV 1
ASSI { 277}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HB2 ))
6.000 5.000 0.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.366 ppm2 1.835 CV 1
ASSI { 278}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HB3 ))
6.000 5.000 0.000 peak 278 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.367 ppm2 1.746 CV 1
ASSI { 279}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 116 and name HB3 ))
3.900 2.400 2.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 8.409 ppm2 1.751 CV 1
ASSI { 280}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HG3 ))
6.000 5.000 0.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.350 ppm2 1.406 CV 1
OR { 280}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HG2 ))
ASSI { 281}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HN ))
6.000 5.000 0.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.945 ppm2 8.406 CV 1
ASSI { 282}
(( segid " " and resid 117 and name HN ))
(( segid " " and resid 117 and name HA ))
6.000 5.000 0.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.410 ppm2 4.329 CV 1
ASSI { 283}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 117 and name HA ))
2.300 1.200 1.200 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10857E-01 ppm1 7.946 ppm2 4.338 CV 1
ASSI { 284}
(( segid " " and resid 117 and name HN ))
( segid " " and resid 117 and name HB% )
2.500 1.300 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.61828E-02 ppm1 8.409 ppm2 1.383 CV 1
ASSI { 285}
(( segid " " and resid 118 and name HN ))
( segid " " and resid 117 and name HB% )
3.400 1.900 1.900 peak 285 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 7.945 ppm2 1.382 CV 1
ASSI { 286}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HA ))
6.000 5.000 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.949 ppm2 4.116 CV 1
ASSI { 287}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HB2 ))
6.000 5.000 0.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.944 ppm2 2.053 CV 1
ASSI { 288}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HB3 ))
2.900 1.600 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.27045E-02 ppm1 7.949 ppm2 1.877 CV 1
ASSI { 289}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HG2 ))
6.000 5.000 0.000 peak 289 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.941 ppm2 2.179 CV 1
OR { 289}
(( segid " " and resid 118 and name HN ))
(( segid " " and resid 118 and name HG3 ))
ASSI { 290}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.400 1.200 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.78668E-02 ppm1 8.149 ppm2 4.150 CV 1
ASSI { 291}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
6.000 5.000 0.000 peak 291 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.149 ppm2 1.808 CV 1
ASSI { 292}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
6.000 5.000 0.000 peak 292 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 1.815 CV 1
ASSI { 293}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB3 ))
6.000 5.000 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.149 ppm2 1.717 CV 1
ASSI { 294}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB3 ))
6.000 5.000 0.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 1.722 CV 1
ASSI { 295}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
6.000 5.000 0.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.001 ppm2 8.149 CV 1
ASSI { 296}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA ))
2.400 1.200 1.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.81918E-02 ppm1 8.168 ppm2 4.688 CV 1
ASSI { 297}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
6.000 5.000 0.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 4.677 CV 1
ASSI { 298}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB2 ))
6.000 5.000 0.000 peak 298 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 2.844 CV 1
ASSI { 300}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
6.000 5.000 0.000 peak 300 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.994 ppm2 2.847 CV 1
ASSI { 301}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HB3 ))
6.000 5.000 0.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 2.766 CV 1
ASSI { 302}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB3 ))
6.000 5.000 0.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.995 ppm2 2.774 CV 1
ASSI { 304}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
6.000 5.000 0.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.869 ppm2 7.985 CV 1
ASSI { 305}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA ))
6.000 5.000 0.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 4.306 CV 1
ASSI { 306}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
6.000 5.000 0.000 peak 306 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.867 ppm2 4.318 CV 1
ASSI { 307}
(( segid " " and resid 10 and name HN ))
( segid " " and resid 10 and name HB% )
6.000 5.000 0.000 peak 307 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.999 ppm2 1.367 CV 1
ASSI { 308}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 10 and name HB% )
6.000 5.000 0.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.868 ppm2 1.368 CV 1
ASSI { 309}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.500 1.300 1.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.60203E-02 ppm1 7.870 ppm2 1.861 CV 1
ASSI { 310}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB3 ))
6.000 5.000 0.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.871 ppm2 1.718 CV 1
ASSI { 311}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HE2 ))
6.000 5.000 0.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.871 ppm2 2.958 CV 1
ASSI { 312}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.700 2.300 2.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.58187E-03 ppm1 9.135 ppm2 3.783 CV 1
ASSI { 313}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
6.000 5.000 0.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 1.322 CV 1
ASSI { 314}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HG ))
6.000 5.000 0.000 peak 314 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 0.935 CV 1
ASSI { 315}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HD1%)
4.000 2.500 2.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.37058E-03 ppm1 9.137 ppm2 0.414 CV 1
ASSI { 316}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HD2%)
4.700 3.300 1.300 peak 316 spectrum 1 weight 0.10000E+01 volume 0.14368E-03 ppm1 9.135 ppm2 0.257 CV 1
ASSI { 317}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.000 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.23665E-02 ppm1 9.137 ppm2 3.890 CV 1
ASSI { 318}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HB% )
6.000 5.000 0.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 1.368 CV 1
ASSI { 319}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.500 1.300 1.300 peak 319 spectrum 1 weight 0.10000E+01 volume 0.62868E-02 ppm1 7.448 ppm2 6.670 CV 1
ASSI { 320}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
6.000 5.000 0.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.445 ppm2 4.540 CV 1
ASSI { 321}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.200 1.800 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.15668E-02 ppm1 7.447 ppm2 4.804 CV 1
ASSI { 322}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB2 ))
6.000 5.000 0.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.446 ppm2 4.556 CV 1
ASSI { 323}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.000 1.600 1.600 peak 323 spectrum 1 weight 0.10000E+01 volume 0.23600E-02 ppm1 7.445 ppm2 4.184 CV 1
ASSI { 324}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.100 1.700 1.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 7.671 ppm2 4.275 CV 1
ASSI { 325}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HB% )
3.000 1.600 1.600 peak 325 spectrum 1 weight 0.10000E+01 volume 0.24380E-02 ppm1 7.671 ppm2 1.605 CV 1
ASSI { 327}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.600 1.400 1.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.48240E-02 ppm1 7.670 ppm2 4.008 CV 1
ASSI { 328}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
6.000 5.000 0.000 peak 328 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.968 ppm2 4.001 CV 1
ASSI { 329}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 17 and name HB% )
2.500 1.300 1.300 peak 329 spectrum 1 weight 0.10000E+01 volume 0.65014E-02 ppm1 7.671 ppm2 0.953 CV 1
ASSI { 330}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 17 and name HB% )
6.000 5.000 0.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.969 ppm2 0.962 CV 1
ASSI { 331}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 5.000 0.000 peak 331 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.771 ppm2 7.966 CV 1
ASSI { 332}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
6.000 5.000 0.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.966 ppm2 4.554 CV 1
ASSI { 333}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.700 1.400 1.400 peak 333 spectrum 1 weight 0.10000E+01 volume 0.43429E-02 ppm1 7.776 ppm2 4.549 CV 1
ASSI { 334}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.600 3.200 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.16448E-03 ppm1 7.974 ppm2 3.638 CV 1
ASSI { 335}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.000 1.600 1.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.24315E-02 ppm1 7.774 ppm2 3.642 CV 1
ASSI { 336}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.500 2.100 2.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.83220E-03 ppm1 7.972 ppm2 3.205 CV 1
ASSI { 337}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.000 1.600 1.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.22105E-02 ppm1 7.774 ppm2 3.191 CV 1
ASSI { 338}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
2.300 1.200 1.200 peak 338 spectrum 1 weight 0.10000E+01 volume 0.96868E-02 ppm1 7.403 ppm2 7.766 CV 1
ASSI { 339}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.500 1.300 1.300 peak 339 spectrum 1 weight 0.10000E+01 volume 0.73465E-02 ppm1 7.775 ppm2 3.841 CV 1
ASSI { 340}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.900 2.400 2.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.43949E-03 ppm1 7.403 ppm2 3.848 CV 1
ASSI { 341}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HB% )
2.000 1.000 1.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.22430E-01 ppm1 7.773 ppm2 1.489 CV 1
ASSI { 342}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HB% )
6.000 5.000 0.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.403 ppm2 1.489 CV 1
ASSI { 343}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
6.000 5.000 0.000 peak 343 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.403 ppm2 4.074 CV 1
ASSI { 344}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
6.000 5.000 0.000 peak 344 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.785 ppm2 4.072 CV 1
ASSI { 345}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 345 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.400 ppm2 1.876 CV 1
ASSI { 346}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.785 ppm2 1.876 CV 1
ASSI { 347}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HB3 ))
6.000 5.000 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.398 ppm2 1.849 CV 1
ASSI { 348}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG2 ))
6.000 5.000 0.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.399 ppm2 1.538 CV 1
ASSI { 349}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HG3 ))
6.000 5.000 0.000 peak 349 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.404 ppm2 1.450 CV 1
ASSI { 350}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HD2 ))
6.000 5.000 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.401 ppm2 1.653 CV 1
OR { 350}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HD3 ))
ASSI { 351}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HE2 ))
4.500 3.000 1.500 peak 351 spectrum 1 weight 0.10000E+01 volume 0.20480E-03 ppm1 7.404 ppm2 2.930 CV 1
OR { 351}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HE3 ))
ASSI { 352}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
6.000 5.000 0.000 peak 352 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.816 ppm2 7.794 CV 1
ASSI { 353}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
6.000 5.000 0.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.786 ppm2 3.993 CV 1
ASSI { 354}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
6.000 5.000 0.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.814 ppm2 3.996 CV 1
ASSI { 355}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.200 1.800 1.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.14368E-02 ppm1 7.787 ppm2 2.302 CV 1
ASSI { 356}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB2 ))
3.500 2.000 2.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.87117E-03 ppm1 7.818 ppm2 2.310 CV 1
ASSI { 357}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HB3 ))
6.000 5.000 0.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.788 ppm2 2.122 CV 1
ASSI { 358}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB3 ))
2.900 1.500 1.500 peak 358 spectrum 1 weight 0.10000E+01 volume 0.28216E-02 ppm1 7.818 ppm2 2.123 CV 1
ASSI { 359}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG2 ))
3.100 1.700 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.17034E-02 ppm1 7.788 ppm2 2.518 CV 1
ASSI { 360}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HG2 ))
4.200 2.700 1.800 peak 360 spectrum 1 weight 0.10000E+01 volume 0.29256E-03 ppm1 7.816 ppm2 2.498 CV 1
ASSI { 361}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HG3 ))
6.000 5.000 0.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.788 ppm2 2.130 CV 1
ASSI { 362}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HN ))
2.400 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.88419E-02 ppm1 7.459 ppm2 7.801 CV 1
ASSI { 363}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
6.000 5.000 0.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.812 ppm2 4.043 CV 1
ASSI { 364}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
6.000 5.000 0.000 peak 364 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.461 ppm2 4.044 CV 1
ASSI { 365}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 22 and name HB% )
2.300 1.200 1.200 peak 365 spectrum 1 weight 0.10000E+01 volume 0.99471E-02 ppm1 7.817 ppm2 1.012 CV 1
ASSI { 366}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 22 and name HB% )
2.400 1.200 1.200 peak 366 spectrum 1 weight 0.10000E+01 volume 0.83867E-02 ppm1 7.460 ppm2 1.013 CV 1
ASSI { 368}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
6.000 5.000 0.000 peak 368 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.462 ppm2 4.034 CV 1
ASSI { 369}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
6.000 5.000 0.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.490 ppm2 4.033 CV 1
ASSI { 370}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.000 0.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.458 ppm2 2.174 CV 1
ASSI { 371}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.000 0.000 peak 371 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.489 ppm2 2.178 CV 1
ASSI { 372}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.458 ppm2 2.038 CV 1
ASSI { 373}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.492 ppm2 2.041 CV 1
ASSI { 374}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
6.000 5.000 0.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.459 ppm2 2.436 CV 1
ASSI { 375}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG3 ))
6.000 5.000 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.460 ppm2 2.334 CV 1
ASSI { 376}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA1 ))
6.000 5.000 0.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.492 ppm2 4.056 CV 1
ASSI { 377}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HN ))
2.700 1.400 1.400 peak 377 spectrum 1 weight 0.10000E+01 volume 0.43559E-02 ppm1 7.418 ppm2 8.158 CV 1
ASSI { 378}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA ))
2.900 1.600 1.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.26915E-02 ppm1 8.170 ppm2 4.070 CV 1
ASSI { 379}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 39 and name HA ))
3.100 1.700 1.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.17229E-02 ppm1 7.419 ppm2 4.071 CV 1
ASSI { 380}
(( segid " " and resid 39 and name HN ))
( segid " " and resid 39 and name HB% )
2.200 1.100 1.100 peak 380 spectrum 1 weight 0.10000E+01 volume 0.15278E-01 ppm1 8.170 ppm2 1.362 CV 1
ASSI { 381}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 39 and name HB% )
2.700 1.400 1.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.43234E-02 ppm1 7.417 ppm2 1.354 CV 1
ASSI { 382}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HN ))
2.900 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.28996E-02 ppm1 8.317 ppm2 7.420 CV 1
ASSI { 383}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HA ))
6.000 5.000 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.417 ppm2 4.209 CV 1
ASSI { 384}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
6.000 5.000 0.000 peak 384 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 4.214 CV 1
ASSI { 385}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG2 ))
2.700 1.400 1.400 peak 385 spectrum 1 weight 0.10000E+01 volume 0.42064E-02 ppm1 7.417 ppm2 2.271 CV 1
ASSI { 386}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB2 ))
6.000 5.000 0.000 peak 386 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.418 ppm2 2.136 CV 1
ASSI { 387}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB2 ))
6.000 5.000 0.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 2.135 CV 1
ASSI { 388}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HB3 ))
2.900 1.500 1.500 peak 388 spectrum 1 weight 0.10000E+01 volume 0.29061E-02 ppm1 7.417 ppm2 1.956 CV 1
ASSI { 389}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HN ))
6.000 5.000 0.000 peak 389 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 8.303 CV 1
ASSI { 390}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB ))
6.000 5.000 0.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.318 ppm2 4.357 CV 1
ASSI { 391}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
6.000 5.000 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.320 ppm2 3.926 CV 1
ASSI { 392}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HA ))
3.300 1.900 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12483E-02 ppm1 8.165 ppm2 3.925 CV 1
ASSI { 393}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 41 and name HG2%)
2.900 1.600 1.600 peak 393 spectrum 1 weight 0.10000E+01 volume 0.24705E-02 ppm1 8.317 ppm2 1.068 CV 1
ASSI { 394}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 41 and name HG2%)
3.100 1.700 1.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 8.164 ppm2 1.075 CV 1
ASSI { 395}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HN ))
2.800 1.400 1.400 peak 395 spectrum 1 weight 0.10000E+01 volume 0.36928E-02 ppm1 7.486 ppm2 8.157 CV 1
ASSI { 396}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HN ))
3.600 2.100 2.100 peak 396 spectrum 1 weight 0.10000E+01 volume 0.79315E-03 ppm1 7.700 ppm2 8.167 CV 1
ASSI { 397}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HA ))
3.200 1.800 1.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.15538E-02 ppm1 7.487 ppm2 4.382 CV 1
ASSI { 398}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 398 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.485 ppm2 2.771 CV 1
ASSI { 399}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HN ))
2.500 1.300 1.300 peak 399 spectrum 1 weight 0.10000E+01 volume 0.68264E-02 ppm1 7.698 ppm2 7.474 CV 1
ASSI { 400}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HA ))
2.500 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.64818E-02 ppm1 7.485 ppm2 4.669 CV 1
ASSI { 401}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB2 ))
6.000 5.000 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.487 ppm2 2.906 CV 1
ASSI { 402}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 43 and name HB3 ))
6.000 5.000 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.484 ppm2 2.813 CV 1
ASSI { 403}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HB3 ))
6.000 5.000 0.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.696 ppm2 2.815 CV 1
ASSI { 404}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HN ))
3.200 1.800 1.800 peak 404 spectrum 1 weight 0.10000E+01 volume 0.15213E-02 ppm1 9.006 ppm2 7.689 CV 1
ASSI { 405}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
2.600 1.300 1.300 peak 405 spectrum 1 weight 0.10000E+01 volume 0.52206E-02 ppm1 7.700 ppm2 4.959 CV 1
ASSI { 406}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
2.300 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10272E-01 ppm1 9.006 ppm2 4.958 CV 1
ASSI { 407}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB2 ))
6.000 5.000 0.000 peak 407 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.695 ppm2 2.912 CV 1
ASSI { 408}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.000 1.600 1.600 peak 408 spectrum 1 weight 0.10000E+01 volume 0.21975E-02 ppm1 9.006 ppm2 2.906 CV 1
ASSI { 409}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB3 ))
2.600 1.300 1.300 peak 409 spectrum 1 weight 0.10000E+01 volume 0.56237E-02 ppm1 7.698 ppm2 2.412 CV 1
ASSI { 410}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HB3 ))
2.900 1.600 1.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.25876E-02 ppm1 9.006 ppm2 2.414 CV 1
ASSI { 413}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HA ))
3.000 1.600 1.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.23795E-02 ppm1 9.007 ppm2 4.111 CV 1
ASSI { 414}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
3.200 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.16384E-02 ppm1 8.045 ppm2 4.119 CV 1
ASSI { 415}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB3 ))
2.500 1.300 1.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.72815E-02 ppm1 9.006 ppm2 3.922 CV 1
OR { 415}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 416}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB3 ))
2.500 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.73465E-02 ppm1 8.044 ppm2 3.916 CV 1
OR { 416}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HB2 ))
ASSI { 417}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HN ))
2.900 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.29906E-02 ppm1 8.905 ppm2 8.040 CV 1
ASSI { 418}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HA ))
2.600 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.58383E-02 ppm1 8.044 ppm2 4.324 CV 1
ASSI { 419}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
3.400 1.900 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11247E-02 ppm1 8.909 ppm2 4.320 CV 1
ASSI { 420}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB2 ))
2.400 1.200 1.200 peak 420 spectrum 1 weight 0.10000E+01 volume 0.95574E-02 ppm1 8.046 ppm2 1.971 CV 1
ASSI { 421}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB2 ))
6.000 5.000 0.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.905 ppm2 1.982 CV 1
ASSI { 422}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HB3 ))
2.300 1.200 1.200 peak 422 spectrum 1 weight 0.10000E+01 volume 0.10012E-01 ppm1 8.045 ppm2 1.661 CV 1
ASSI { 423}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 46 and name HG ))
6.000 5.000 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.044 ppm2 1.447 CV 1
ASSI { 424}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 46 and name HD1%)
6.000 5.000 0.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.040 ppm2 0.946 CV 1
ASSI { 425}
(( segid " " and resid 46 and name HN ))
( segid " " and resid 46 and name HD2%)
6.000 5.000 0.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.042 ppm2 0.963 CV 1
ASSI { 426}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HN ))
2.700 1.400 1.400 peak 426 spectrum 1 weight 0.10000E+01 volume 0.38553E-02 ppm1 8.456 ppm2 8.889 CV 1
ASSI { 427}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HA ))
6.000 5.000 0.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.905 ppm2 3.861 CV 1
ASSI { 428}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HA ))
6.000 5.000 0.000 peak 428 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 3.860 CV 1
ASSI { 429}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB2 ))
6.000 5.000 0.000 peak 429 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.903 ppm2 2.050 CV 1
ASSI { 430}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB2 ))
6.000 5.000 0.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.452 ppm2 2.052 CV 1
ASSI { 431}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HB3 ))
2.800 1.500 1.500 peak 431 spectrum 1 weight 0.10000E+01 volume 0.30556E-02 ppm1 8.904 ppm2 1.397 CV 1
ASSI { 432}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HB3 ))
2.800 1.500 1.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36343E-02 ppm1 8.456 ppm2 1.413 CV 1
ASSI { 433}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HN ))
2.400 1.200 1.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.81264E-02 ppm1 8.107 ppm2 8.450 CV 1
ASSI { 434}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HB2 ))
2.200 1.100 1.100 peak 434 spectrum 1 weight 0.10000E+01 volume 0.15213E-01 ppm1 8.453 ppm2 3.989 CV 1
ASSI { 435}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
6.000 5.000 0.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.102 ppm2 4.015 CV 1
OR { 435}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 436}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 48 and name HA ))
6.000 5.000 0.000 peak 436 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.457 ppm2 3.896 CV 1
ASSI { 437}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HA ))
6.000 5.000 0.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.105 ppm2 3.893 CV 1
ASSI { 438}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HN ))
3.800 2.300 2.200 peak 438 spectrum 1 weight 0.10000E+01 volume 0.55457E-03 ppm1 8.537 ppm2 8.100 CV 1
ASSI { 439}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA2 ))
6.000 5.000 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.107 ppm2 3.927 CV 1
OR { 439}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 49 and name HA1 ))
ASSI { 440}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA2 ))
3.400 1.900 1.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10597E-02 ppm1 8.531 ppm2 3.932 CV 1
OR { 440}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA1 ))
ASSI { 441}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HN ))
6.000 5.000 0.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.371 ppm2 8.550 CV 1
ASSI { 442}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
6.000 5.000 0.000 peak 442 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.534 ppm2 4.081 CV 1
ASSI { 443}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HA ))
6.000 5.000 0.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.373 ppm2 4.076 CV 1
ASSI { 444}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 1.990 CV 1
ASSI { 445}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 50 and name HB2 ))
6.000 5.000 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 1.978 CV 1
ASSI { 446}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
5.600 4.400 0.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.51230E-04 ppm1 8.533 ppm2 1.230 CV 1
ASSI { 447}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG ))
6.000 5.000 0.000 peak 447 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 1.996 CV 1
ASSI { 448}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HD1%)
6.000 5.000 0.000 peak 448 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 0.758 CV 1
ASSI { 449}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 50 and name HD2%)
6.000 5.000 0.000 peak 449 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.533 ppm2 0.802 CV 1
ASSI { 450}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB2 ))
2.800 1.500 1.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.32637E-02 ppm1 8.383 ppm2 1.952 CV 1
ASSI { 452}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 52 and name HN ))
3.400 1.900 1.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.10727E-02 ppm1 7.998 ppm2 8.378 CV 1
ASSI { 453}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA1 ))
6.000 5.000 0.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 3.982 CV 1
ASSI { 454}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA2 ))
6.000 5.000 0.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.390 ppm2 3.874 CV 1
ASSI { 455}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA2 ))
2.600 1.300 1.300 peak 455 spectrum 1 weight 0.10000E+01 volume 0.53962E-02 ppm1 7.622 ppm2 3.880 CV 1
ASSI { 456}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 53 and name HN ))
2.800 1.500 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.34977E-02 ppm1 8.383 ppm2 7.606 CV 1
ASSI { 457}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
2.500 1.300 1.300 peak 457 spectrum 1 weight 0.10000E+01 volume 0.62218E-02 ppm1 7.999 ppm2 7.611 CV 1
ASSI { 458}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HA ))
2.600 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.50775E-02 ppm1 7.622 ppm2 4.448 CV 1
ASSI { 459}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HA ))
2.800 1.500 1.500 peak 459 spectrum 1 weight 0.10000E+01 volume 0.33222E-02 ppm1 7.997 ppm2 4.457 CV 1
ASSI { 460}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 53 and name HB% )
2.100 1.100 1.100 peak 460 spectrum 1 weight 0.10000E+01 volume 0.18594E-01 ppm1 7.622 ppm2 1.479 CV 1
ASSI { 461}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 53 and name HB% )
2.500 1.300 1.300 peak 461 spectrum 1 weight 0.10000E+01 volume 0.65014E-02 ppm1 7.999 ppm2 1.482 CV 1
ASSI { 463}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA1 ))
2.400 1.200 1.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.85168E-02 ppm1 8.000 ppm2 4.156 CV 1
ASSI { 464}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA2 ))
2.400 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.76065E-02 ppm1 8.000 ppm2 3.981 CV 1
ASSI { 465}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA2 ))
2.900 1.600 1.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.25485E-02 ppm1 7.918 ppm2 3.997 CV 1
ASSI { 466}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HN ))
2.400 1.200 1.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.83220E-02 ppm1 6.985 ppm2 7.921 CV 1
ASSI { 467}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HA ))
6.000 5.000 0.000 peak 467 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.914 ppm2 4.364 CV 1
ASSI { 468}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
3.300 1.900 1.900 peak 468 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 6.990 ppm2 4.362 CV 1
ASSI { 469}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HG ))
6.000 5.000 0.000 peak 469 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.919 ppm2 1.714 CV 1
ASSI { 470}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 55 and name HB2 ))
6.000 5.000 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.922 ppm2 1.620 CV 1
ASSI { 471}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB3 ))
2.800 1.500 1.500 peak 471 spectrum 1 weight 0.10000E+01 volume 0.36407E-02 ppm1 6.985 ppm2 1.640 CV 1
OR { 471}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
ASSI { 472}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 55 and name HD1%)
6.000 5.000 0.000 peak 472 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.917 ppm2 0.805 CV 1
ASSI { 473}
(( segid " " and resid 55 and name HN ))
( segid " " and resid 55 and name HD2%)
6.000 5.000 0.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.919 ppm2 0.787 CV 1
ASSI { 474}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HN ))
3.300 1.900 1.900 peak 474 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 8.100 ppm2 6.974 CV 1
ASSI { 475}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
3.300 1.800 1.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.13393E-02 ppm1 6.987 ppm2 4.702 CV 1
ASSI { 476}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.700 1.400 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.43104E-02 ppm1 8.097 ppm2 4.696 CV 1
ASSI { 477}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB3 ))
2.900 1.600 1.600 peak 477 spectrum 1 weight 0.10000E+01 volume 0.27176E-02 ppm1 6.989 ppm2 1.311 CV 1
ASSI { 478}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB2 ))
2.900 1.500 1.500 peak 478 spectrum 1 weight 0.10000E+01 volume 0.28866E-02 ppm1 6.988 ppm2 1.948 CV 1
ASSI { 479}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB2 ))
2.700 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.37383E-02 ppm1 8.097 ppm2 1.938 CV 1
ASSI { 480}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 56 and name HD1%)
6.000 5.000 0.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.989 ppm2 0.855 CV 1
ASSI { 481}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 56 and name HD2%)
6.000 5.000 0.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.987 ppm2 0.881 CV 1
ASSI { 482}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.900 1.500 1.500 peak 482 spectrum 1 weight 0.10000E+01 volume 0.27891E-02 ppm1 8.096 ppm2 4.886 CV 1
ASSI { 483}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
2.400 1.200 1.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.78013E-02 ppm1 8.197 ppm2 4.877 CV 1
ASSI { 484}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB2 ))
3.100 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.18854E-02 ppm1 8.101 ppm2 3.000 CV 1
ASSI { 485}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB2 ))
2.700 1.400 1.400 peak 485 spectrum 1 weight 0.10000E+01 volume 0.41544E-02 ppm1 8.197 ppm2 3.001 CV 1
ASSI { 486}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB3 ))
2.700 1.400 1.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.37512E-02 ppm1 8.103 ppm2 2.380 CV 1
ASSI { 487}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB3 ))
2.900 1.600 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.25876E-02 ppm1 8.198 ppm2 2.386 CV 1
ASSI { 489}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA2 ))
2.700 1.400 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.45704E-02 ppm1 8.197 ppm2 3.631 CV 1
ASSI { 490}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
2.700 1.400 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.39528E-02 ppm1 7.970 ppm2 4.392 CV 1
ASSI { 491}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
2.700 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.38748E-02 ppm1 9.043 ppm2 4.388 CV 1
ASSI { 492}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.800 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.34912E-02 ppm1 7.974 ppm2 1.704 CV 1
ASSI { 493}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.600 2.100 2.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.77366E-03 ppm1 9.043 ppm2 1.717 CV 1
ASSI { 494}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.800 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.30556E-02 ppm1 7.972 ppm2 1.335 CV 1
ASSI { 495}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB3 ))
4.400 2.900 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.22105E-03 ppm1 9.042 ppm2 1.334 CV 1
ASSI { 496}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HG ))
3.100 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.19049E-02 ppm1 7.970 ppm2 1.447 CV 1
ASSI { 497}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 497 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.969 ppm2 0.787 CV 1
ASSI { 498}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
3.400 2.000 2.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 9.043 ppm2 4.081 CV 1
ASSI { 499}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
2.500 1.300 1.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.70215E-02 ppm1 9.020 ppm2 4.083 CV 1
ASSI { 500}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.043 ppm2 3.894 CV 1
ASSI { 501}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.016 ppm2 3.893 CV 1
ASSI { 502}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 502 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.045 ppm2 3.803 CV 1
ASSI { 503}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 503 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.016 ppm2 3.808 CV 1
ASSI { 504}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
2.500 1.300 1.300 peak 504 spectrum 1 weight 0.10000E+01 volume 0.74115E-02 ppm1 7.892 ppm2 9.010 CV 1
ASSI { 505}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA1 ))
2.900 1.500 1.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 9.017 ppm2 4.214 CV 1
ASSI { 506}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA2 ))
6.000 5.000 0.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.017 ppm2 3.784 CV 1
ASSI { 507}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA2 ))
2.500 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.61503E-02 ppm1 7.892 ppm2 3.799 CV 1
ASSI { 509}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HN ))
3.000 1.600 1.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.23405E-02 ppm1 8.694 ppm2 7.876 CV 1
ASSI { 510}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
2.500 1.300 1.300 peak 510 spectrum 1 weight 0.10000E+01 volume 0.66964E-02 ppm1 7.893 ppm2 5.059 CV 1
ASSI { 511}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
6.000 5.000 0.000 peak 511 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.695 ppm2 5.064 CV 1
ASSI { 512}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
2.600 1.300 1.300 peak 512 spectrum 1 weight 0.10000E+01 volume 0.52401E-02 ppm1 7.894 ppm2 2.684 CV 1
ASSI { 513}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HB2 ))
3.300 1.800 1.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 6.989 ppm2 2.670 CV 1
ASSI { 514}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.100 1.700 1.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.19179E-02 ppm1 8.692 ppm2 2.681 CV 1
ASSI { 515}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
2.400 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.88419E-02 ppm1 7.893 ppm2 2.376 CV 1
ASSI { 516}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HB3 ))
3.200 1.700 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.16318E-02 ppm1 6.989 ppm2 2.376 CV 1
ASSI { 517}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HB3 ))
2.900 1.500 1.500 peak 517 spectrum 1 weight 0.10000E+01 volume 0.27501E-02 ppm1 8.695 ppm2 2.379 CV 1
ASSI { 520}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
6.000 5.000 0.000 peak 520 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.696 ppm2 4.068 CV 1
ASSI { 521}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
6.000 5.000 0.000 peak 521 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.954 ppm2 4.078 CV 1
ASSI { 522}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB ))
6.000 5.000 0.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.955 ppm2 4.056 CV 1
ASSI { 523}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HN ))
2.600 1.400 1.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.48565E-02 ppm1 7.665 ppm2 8.940 CV 1
ASSI { 524}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA1 ))
2.800 1.500 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.34457E-02 ppm1 8.956 ppm2 4.345 CV 1
ASSI { 525}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA1 ))
2.900 1.500 1.500 peak 525 spectrum 1 weight 0.10000E+01 volume 0.27371E-02 ppm1 7.665 ppm2 4.347 CV 1
ASSI { 526}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA2 ))
2.700 1.400 1.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 8.956 ppm2 3.661 CV 1
ASSI { 527}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA2 ))
6.000 5.000 0.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.667 ppm2 3.658 CV 1
ASSI { 529}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
6.000 5.000 0.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.666 ppm2 4.152 CV 1
ASSI { 530}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HA ))
6.000 5.000 0.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.610 ppm2 4.155 CV 1
ASSI { 531}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB2 ))
2.900 1.600 1.600 peak 531 spectrum 1 weight 0.10000E+01 volume 0.24965E-02 ppm1 7.665 ppm2 3.887 CV 1
ASSI { 532}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB2 ))
3.200 1.800 1.800 peak 532 spectrum 1 weight 0.10000E+01 volume 0.14953E-02 ppm1 7.608 ppm2 3.891 CV 1
ASSI { 533}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB3 ))
6.000 5.000 0.000 peak 533 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.665 ppm2 3.767 CV 1
ASSI { 534}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 65 and name HB3 ))
6.000 5.000 0.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.609 ppm2 3.763 CV 1
ASSI { 536}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 66 and name HA ))
3.700 2.200 2.200 peak 536 spectrum 1 weight 0.10000E+01 volume 0.66964E-03 ppm1 7.613 ppm2 4.905 CV 1
ASSI { 537}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
2.600 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.55457E-02 ppm1 8.690 ppm2 4.912 CV 1
ASSI { 538}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 66 and name HB% )
6.000 5.000 0.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.610 ppm2 1.327 CV 1
ASSI { 539}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 66 and name HB% )
2.600 1.400 1.400 peak 539 spectrum 1 weight 0.10000E+01 volume 0.48305E-02 ppm1 8.692 ppm2 1.328 CV 1
ASSI { 540}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
3.400 2.000 2.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 8.690 ppm2 5.558 CV 1
ASSI { 541}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
2.600 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.49280E-02 ppm1 8.794 ppm2 5.550 CV 1
ASSI { 542}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.100 1.700 1.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 8.692 ppm2 2.693 CV 1
ASSI { 543}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB2 ))
3.400 2.000 2.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 8.795 ppm2 2.698 CV 1
ASSI { 544}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB3 ))
3.400 1.900 1.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 8.690 ppm2 2.495 CV 1
ASSI { 545}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB3 ))
3.200 1.800 1.800 peak 545 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 8.792 ppm2 2.500 CV 1
ASSI { 546}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
6.000 5.000 0.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.777 ppm2 4.854 CV 1
ASSI { 547}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 68 and name HB% )
6.000 5.000 0.000 peak 547 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.790 ppm2 1.162 CV 1
ASSI { 548}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 68 and name HB% )
6.000 5.000 0.000 peak 548 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.779 ppm2 1.170 CV 1
ASSI { 549}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
3.900 2.400 2.100 peak 549 spectrum 1 weight 0.10000E+01 volume 0.48435E-03 ppm1 8.777 ppm2 4.465 CV 1
ASSI { 550}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.300 1.800 1.800 peak 550 spectrum 1 weight 0.10000E+01 volume 0.12938E-02 ppm1 8.775 ppm2 2.143 CV 1
ASSI { 551}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB3 ))
6.000 5.000 0.000 peak 551 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.775 ppm2 1.673 CV 1
ASSI { 552}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HD2 ))
3.500 2.100 2.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.80617E-03 ppm1 8.775 ppm2 1.931 CV 1
ASSI { 553}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HG2 ))
6.000 5.000 0.000 peak 553 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.775 ppm2 1.591 CV 1
ASSI { 554}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HG3 ))
4.700 3.300 1.300 peak 554 spectrum 1 weight 0.10000E+01 volume 0.14953E-03 ppm1 8.778 ppm2 1.389 CV 1
ASSI { 555}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HE2 ))
4.400 2.900 1.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.22755E-03 ppm1 8.773 ppm2 3.028 CV 1
OR { 555}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HE3 ))
ASSI { 556}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.500 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.25356E-04 ppm1 7.937 ppm2 0.978 CV 1
ASSI { 557}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.350 ppm2 0.986 CV 1
ASSI { 558}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.009 ppm2 0.987 CV 1
ASSI { 559}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 72 and name HD1%)
6.000 5.000 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.009 ppm2 0.937 CV 1
ASSI { 560}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HG ))
5.100 3.800 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.88419E-04 ppm1 7.007 ppm2 1.594 CV 1
ASSI { 561}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HG3 ))
6.000 5.000 0.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 2.339 CV 1
ASSI { 562}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HG2 ))
6.000 5.000 0.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 2.489 CV 1
ASSI { 563}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 79 and name HD1%)
2.500 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.72165E-02 ppm1 8.034 ppm2 0.947 CV 1
ASSI { 564}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 79 and name HD2%)
2.600 1.300 1.300 peak 564 spectrum 1 weight 0.10000E+01 volume 0.54481E-02 ppm1 8.035 ppm2 0.810 CV 1
ASSI { 565}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HG ))
6.000 5.000 0.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.032 ppm2 1.617 CV 1
ASSI { 566}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 70 and name HB% )
3.200 1.800 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14303E-02 ppm1 7.007 ppm2 1.200 CV 1
ASSI { 567}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 70 and name HB% )
3.000 1.600 1.600 peak 567 spectrum 1 weight 0.10000E+01 volume 0.23990E-02 ppm1 8.076 ppm2 1.207 CV 1
ASSI { 568}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 73 and name HD1%)
3.100 1.700 1.700 peak 568 spectrum 1 weight 0.10000E+01 volume 0.17423E-02 ppm1 7.009 ppm2 0.676 CV 1
ASSI { 569}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.300 1.900 1.900 peak 569 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 8.659 ppm2 2.142 CV 1
ASSI { 570}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 69 and name HB2 ))
6.000 5.000 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.008 ppm2 2.136 CV 1
ASSI { 571}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 73 and name HA ))
3.100 1.700 1.700 peak 571 spectrum 1 weight 0.10000E+01 volume 0.17293E-02 ppm1 7.587 ppm2 3.250 CV 1
ASSI { 572}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 73 and name HA ))
3.500 2.100 2.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.83867E-03 ppm1 7.792 ppm2 3.252 CV 1
ASSI { 573}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 73 and name HA ))
6.000 5.000 0.000 peak 573 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.349 ppm2 3.252 CV 1
ASSI { 574}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
2.700 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.44729E-02 ppm1 7.008 ppm2 8.071 CV 1
ASSI { 575}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 70 and name HN ))
3.800 2.300 2.200 peak 575 spectrum 1 weight 0.10000E+01 volume 0.50841E-03 ppm1 7.010 ppm2 8.361 CV 1
ASSI { 576}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 70 and name HA ))
6.000 5.000 0.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.007 ppm2 3.815 CV 1
ASSI { 577}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 69 and name HA ))
3.500 2.000 2.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.91669E-03 ppm1 8.657 ppm2 4.477 CV 1
ASSI { 578}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.700 2.200 2.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.64493E-03 ppm1 8.654 ppm2 1.866 CV 1
ASSI { 579}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 72 and name HB3 ))
6.000 5.000 0.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.658 ppm2 1.636 CV 1
ASSI { 580}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 72 and name HD1%)
6.000 5.000 0.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.659 ppm2 0.936 CV 1
ASSI { 581}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.659 ppm2 0.988 CV 1
ASSI { 582}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 73 and name HD1%)
5.000 3.600 1.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.10207E-03 ppm1 8.659 ppm2 0.682 CV 1
ASSI { 583}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
4.000 2.500 2.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.42389E-03 ppm1 8.072 ppm2 3.239 CV 1
ASSI { 584}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 71 and name HA ))
2.900 1.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.29711E-02 ppm1 8.099 ppm2 4.158 CV 1
ASSI { 585}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 56 and name HD1%)
6.000 5.000 0.000 peak 585 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.098 ppm2 0.845 CV 1
ASSI { 586}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 56 and name HD2%)
6.000 5.000 0.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.098 ppm2 0.883 CV 1
ASSI { 587}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 73 and name HD1%)
3.300 1.900 1.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 8.105 ppm2 0.682 CV 1
ASSI { 588}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB3 ))
2.900 1.500 1.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.27501E-02 ppm1 8.097 ppm2 1.319 CV 1
ASSI { 589}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 78 and name HD1%)
4.000 2.500 2.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.38553E-03 ppm1 7.790 ppm2 0.619 CV 1
ASSI { 590}
(( segid " " and resid 76 and name HN ))
( segid " " and resid 78 and name HD1%)
6.000 5.000 0.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.348 ppm2 0.615 CV 1
ASSI { 591}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 76 and name HD2%)
6.000 5.000 0.000 peak 591 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.790 ppm2 0.779 CV 1
ASSI { 592}
(( segid " " and resid 77 and name HN ))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.793 ppm2 0.978 CV 1
ASSI { 593}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HG2 ))
3.600 2.100 2.100 peak 593 spectrum 1 weight 0.10000E+01 volume 0.70215E-03 ppm1 8.348 ppm2 2.485 CV 1
ASSI { 594}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 77 and name HA2 ))
4.800 3.400 1.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.12483E-03 ppm1 8.349 ppm2 3.938 CV 1
OR { 594}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 77 and name HA1 ))
ASSI { 595}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HA ))
3.600 2.100 2.100 peak 595 spectrum 1 weight 0.10000E+01 volume 0.73465E-03 ppm1 7.790 ppm2 4.559 CV 1
ASSI { 596}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 75 and name HB2 ))
3.800 2.300 2.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.51296E-03 ppm1 7.785 ppm2 2.287 CV 1
ASSI { 597}
(( segid " " and resid 77 and name HN ))
(( segid " " and resid 78 and name HB2 ))
4.300 2.800 1.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.26526E-03 ppm1 7.790 ppm2 1.843 CV 1
ASSI { 598}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 80 and name HB% )
3.200 1.800 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.14368E-02 ppm1 8.033 ppm2 1.389 CV 1
ASSI { 599}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 78 and name HD1%)
6.000 5.000 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.035 ppm2 0.621 CV 1
ASSI { 600}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 82 and name HB ))
4.300 2.800 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.27306E-03 ppm1 7.490 ppm2 2.088 CV 1
ASSI { 601}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
3.000 1.600 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 8.098 ppm2 7.919 CV 1
ASSI { 602}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 76 and name HN ))
2.800 1.500 1.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.34067E-02 ppm1 7.936 ppm2 8.336 CV 1
ASSI { 603}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 77 and name HN ))
6.000 5.000 0.000 peak 603 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.933 ppm2 7.773 CV 1
ASSI { 605}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 98 and name HN ))
6.000 5.000 0.000 peak 605 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.048 ppm2 9.130 CV 1
ASSI { 607}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HN ))
3.600 2.100 2.100 peak 607 spectrum 1 weight 0.10000E+01 volume 0.77366E-03 ppm1 9.279 ppm2 8.400 CV 1
ASSI { 610}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 34 and name HA ))
3.600 2.100 2.100 peak 610 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 9.274 ppm2 5.970 CV 1
ASSI { 611}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 611 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.406 ppm2 0.908 CV 1
ASSI { 612}
(( segid " " and resid 96 and name HN ))
(( segid " " and resid 95 and name HA ))
2.900 1.500 1.500 peak 612 spectrum 1 weight 0.10000E+01 volume 0.28671E-02 ppm1 9.279 ppm2 4.856 CV 1
ASSI { 613}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 97 and name HA ))
6.000 5.000 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.050 ppm2 5.186 CV 1
ASSI { 614}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.282 ppm2 0.906 CV 1
ASSI { 615}
(( segid " " and resid 96 and name HN ))
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.283 ppm2 0.934 CV 1
ASSI { 616}
(( segid " " and resid 97 and name HN ))
(( segid " " and resid 107 and name HA ))
3.500 2.000 2.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.87772E-03 ppm1 9.052 ppm2 4.253 CV 1
ASSI { 617}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 58 and name HN ))
4.100 2.600 1.900 peak 617 spectrum 1 weight 0.10000E+01 volume 0.34717E-03 ppm1 8.622 ppm2 8.185 CV 1
ASSI { 618}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 60 and name HN ))
2.900 1.600 1.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.25810E-02 ppm1 8.621 ppm2 9.034 CV 1
ASSI { 619}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 97 and name HN ))
3.200 1.800 1.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.15863E-02 ppm1 8.715 ppm2 9.038 CV 1
ASSI { 621}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 109 and name HN ))
6.000 5.000 0.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.887 ppm2 8.390 CV 1
ASSI { 622}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 97 and name HN ))
4.000 2.500 2.000 peak 622 spectrum 1 weight 0.10000E+01 volume 0.41024E-03 ppm1 8.489 ppm2 9.037 CV 1
ASSI { 623}
(( segid " " and resid 104 and name HN ))
( segid " " and resid 103 and name HG2%)
2.500 1.300 1.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.72165E-02 ppm1 7.944 ppm2 1.182 CV 1
ASSI { 625}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 59 and name HA ))
6.000 5.000 0.000 peak 625 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.619 ppm2 4.389 CV 1
ASSI { 626}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 57 and name HB2 ))
3.400 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.10402E-02 ppm1 8.623 ppm2 3.010 CV 1
ASSI { 627}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 57 and name HB2 ))
4.300 2.800 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.24770E-03 ppm1 7.946 ppm2 3.013 CV 1
ASSI { 628}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 97 and name HB2 ))
6.000 5.000 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.712 ppm2 3.015 CV 1
ASSI { 629}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 96 and name HA ))
2.600 1.300 1.300 peak 629 spectrum 1 weight 0.10000E+01 volume 0.53701E-02 ppm1 8.491 ppm2 5.090 CV 1
ASSI { 630}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 96 and name HA ))
3.600 2.100 2.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.72165E-03 ppm1 8.887 ppm2 5.091 CV 1
ASSI { 631}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 60 and name HB3 ))
4.800 3.400 1.200 peak 631 spectrum 1 weight 0.10000E+01 volume 0.13523E-03 ppm1 8.623 ppm2 3.801 CV 1
ASSI { 632}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 60 and name HB2 ))
4.000 2.500 2.000 peak 632 spectrum 1 weight 0.10000E+01 volume 0.39333E-03 ppm1 8.885 ppm2 3.889 CV 1
ASSI { 633}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 99 and name HD3 ))
3.800 2.300 2.200 peak 633 spectrum 1 weight 0.10000E+01 volume 0.51101E-03 ppm1 8.709 ppm2 3.698 CV 1
ASSI { 634}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.621 ppm2 0.780 CV 1
ASSI { 635}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 59 and name HD1%)
2.600 1.300 1.300 peak 635 spectrum 1 weight 0.10000E+01 volume 0.58447E-02 ppm1 8.887 ppm2 0.784 CV 1
OR { 635}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 59 and name HD2%)
ASSI { 636}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 636 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.621 ppm2 1.102 CV 1
ASSI { 637}
(( segid " " and resid 106 and name HN ))
( segid " " and resid 96 and name HB% )
3.000 1.600 1.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.22950E-02 ppm1 8.714 ppm2 1.109 CV 1
ASSI { 638}
(( segid " " and resid 108 and name HN ))
( segid " " and resid 96 and name HB% )
2.600 1.400 1.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.49605E-02 ppm1 8.490 ppm2 1.108 CV 1
ASSI { 639}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 106 and name HG1%)
6.000 5.000 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.887 ppm2 0.957 CV 1
ASSI { 640}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 107 and name HB% )
2.700 1.400 1.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.42779E-02 ppm1 8.400 ppm2 1.414 CV 1
ASSI { 641}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 108 and name HG2%)
6.000 5.000 0.000 peak 641 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.402 ppm2 0.855 CV 1
ASSI { 642}
(( segid " " and resid 109 and name HN ))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 0.904 CV 1
ASSI { 643}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 68 and name HN ))
3.000 1.600 1.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.23795E-02 ppm1 7.933 ppm2 8.775 CV 1
ASSI { 645}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 94 and name HN ))
3.500 2.000 2.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.91669E-03 ppm1 9.434 ppm2 7.582 CV 1
ASSI { 646}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 93 and name HD21))
3.600 2.100 2.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.76719E-03 ppm1 8.915 ppm2 7.590 CV 1
ASSI { 647}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 94 and name HN ))
3.200 1.800 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.15083E-02 ppm1 8.356 ppm2 7.590 CV 1
ASSI { 649}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 21 and name HE21))
3.200 1.800 1.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 9.694 ppm2 7.404 CV 1
ASSI { 650}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HN ))
3.800 2.300 2.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.56952E-03 ppm1 8.914 ppm2 8.345 CV 1
ASSI { 653}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 21 and name HE22))
3.300 1.900 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 9.688 ppm2 6.569 CV 1
ASSI { 654}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HG13))
6.000 5.000 0.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.173 ppm2 1.204 CV 1
ASSI { 655}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 97 and name HA ))
3.600 2.100 2.100 peak 655 spectrum 1 weight 0.10000E+01 volume 0.79970E-03 ppm1 9.173 ppm2 5.185 CV 1
ASSI { 656}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 34 and name HA ))
5.800 4.700 0.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.41154E-04 ppm1 7.588 ppm2 5.983 CV 1
ASSI { 657}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB3 ))
3.500 2.000 2.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.92971E-03 ppm1 9.433 ppm2 2.389 CV 1
ASSI { 659}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.900 2.400 2.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.49150E-03 ppm1 8.914 ppm2 1.944 CV 1
ASSI { 660}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HG2 ))
4.500 3.000 1.500 peak 660 spectrum 1 weight 0.10000E+01 volume 0.20089E-03 ppm1 8.914 ppm2 2.271 CV 1
ASSI { 661}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 40 and name HB2 ))
4.700 3.300 1.300 peak 661 spectrum 1 weight 0.10000E+01 volume 0.15018E-03 ppm1 8.913 ppm2 2.134 CV 1
ASSI { 662}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HA ))
3.200 1.800 1.800 peak 662 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 8.765 ppm2 3.785 CV 1
ASSI { 663}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HB2 ))
6.000 5.000 0.000 peak 663 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.765 ppm2 3.174 CV 1
ASSI { 664}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HB3 ))
6.000 5.000 0.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 2.991 CV 1
ASSI { 665}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 665 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 1.624 CV 1
ASSI { 666}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB2 ))
6.000 5.000 0.000 peak 666 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 1.501 CV 1
ASSI { 667}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 667 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 1.565 CV 1
ASSI { 668}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HB3 ))
6.000 5.000 0.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 1.301 CV 1
ASSI { 669}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 669 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.765 ppm2 1.289 CV 1
ASSI { 670}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HG3 ))
6.000 5.000 0.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.765 ppm2 1.281 CV 1
ASSI { 671}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HE2 ))
6.000 5.000 0.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.765 ppm2 2.947 CV 1
OR { 671}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 672}
(( segid " " and resid 92 and name HN ))
(( segid " " and resid 93 and name HA ))
3.400 2.000 2.000 peak 672 spectrum 1 weight 0.10000E+01 volume 0.98169E-03 ppm1 8.766 ppm2 5.078 CV 1
ASSI { 673}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB3 ))
3.000 1.600 1.600 peak 673 spectrum 1 weight 0.10000E+01 volume 0.20999E-02 ppm1 9.193 ppm2 1.297 CV 1
ASSI { 674}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HB ))
4.700 3.200 1.300 peak 674 spectrum 1 weight 0.10000E+01 volume 0.15928E-03 ppm1 7.588 ppm2 1.530 CV 1
ASSI { 675}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HG12))
3.800 2.300 2.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.56757E-03 ppm1 7.589 ppm2 1.378 CV 1
ASSI { 676}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HG13))
3.300 1.900 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 7.590 ppm2 0.999 CV 1
ASSI { 677}
(( segid " " and resid 94 and name HN ))
( segid " " and resid 94 and name HG2%)
2.500 1.300 1.300 peak 677 spectrum 1 weight 0.10000E+01 volume 0.60788E-02 ppm1 7.590 ppm2 0.796 CV 1
ASSI { 678}
(( segid " " and resid 94 and name HN ))
( segid " " and resid 94 and name HD1%)
2.900 1.500 1.500 peak 678 spectrum 1 weight 0.10000E+01 volume 0.28346E-02 ppm1 7.586 ppm2 0.645 CV 1
ASSI { 679}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 95 and name HA ))
4.300 2.800 1.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.26981E-03 ppm1 9.435 ppm2 4.863 CV 1
ASSI { 680}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 69 and name HA ))
3.600 2.200 2.200 peak 680 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 7.931 ppm2 4.462 CV 1
ASSI { 681}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.400 1.900 1.900 peak 681 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 9.428 ppm2 3.785 CV 1
ASSI { 682}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 94 and name HB ))
3.400 1.900 1.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 9.434 ppm2 1.532 CV 1
ASSI { 683}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 33 and name HB% )
3.300 1.900 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.12743E-02 ppm1 9.432 ppm2 1.128 CV 1
ASSI { 684}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 81 and name HD1%)
4.100 2.600 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.34132E-03 ppm1 7.932 ppm2 0.888 CV 1
ASSI { 686}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 81 and name HD2%)
3.300 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.12677E-02 ppm1 9.433 ppm2 0.704 CV 1
ASSI { 687}
(( segid " " and resid 35 and name HN ))
( segid " " and resid 81 and name HD1%)
3.300 1.800 1.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.13393E-02 ppm1 9.434 ppm2 0.882 CV 1
ASSI { 688}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 81 and name HD2%)
6.000 5.000 0.000 peak 688 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.353 ppm2 0.700 CV 1
ASSI { 689}
(( segid " " and resid 36 and name HN ))
( segid " " and resid 81 and name HD1%)
6.000 5.000 0.000 peak 689 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.355 ppm2 0.893 CV 1
ASSI { 690}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 94 and name HD1%)
3.600 2.200 2.200 peak 690 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 8.915 ppm2 0.643 CV 1
ASSI { 691}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 94 and name HG12))
4.000 2.500 2.000 peak 691 spectrum 1 weight 0.10000E+01 volume 0.41544E-03 ppm1 8.918 ppm2 1.369 CV 1
ASSI { 692}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB ))
6.000 5.000 0.000 peak 692 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.692 ppm2 2.215 CV 1
ASSI { 695}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 67 and name HN ))
4.300 2.800 1.700 peak 695 spectrum 1 weight 0.10000E+01 volume 0.27111E-03 ppm1 7.612 ppm2 8.694 CV 1
ASSI { 696}
(( segid " " and resid 66 and name HN ))
(( segid " " and resid 36 and name HN ))
4.400 2.900 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.23015E-03 ppm1 7.609 ppm2 8.364 CV 1
ASSI { 697}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 36 and name HN ))
6.000 5.000 0.000 peak 697 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.791 ppm2 8.355 CV 1
ASSI { 698}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 57 and name HN ))
6.000 5.000 0.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.694 ppm2 8.105 CV 1
ASSI { 700}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 72 and name HN ))
3.800 2.300 2.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.51101E-03 ppm1 8.775 ppm2 6.997 CV 1
ASSI { 701}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
6.000 5.000 0.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.793 ppm2 4.855 CV 1
ASSI { 702}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 58 and name HA1 ))
3.300 1.900 1.900 peak 702 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 8.693 ppm2 4.576 CV 1
ASSI { 703}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 703 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.666 ppm2 0.785 CV 1
ASSI { 704}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 81 and name HD2%)
3.000 1.600 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.23080E-02 ppm1 8.793 ppm2 0.705 CV 1
ASSI { 705}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 81 and name HD1%)
2.900 1.600 1.600 peak 705 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 8.788 ppm2 0.890 CV 1
ASSI { 706}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 58 and name HA2 ))
3.700 2.200 2.200 peak 706 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 8.690 ppm2 3.639 CV 1
ASSI { 707}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.200 1.800 1.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.15603E-02 ppm1 7.666 ppm2 1.724 CV 1
ASSI { 708}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 56 and name HB2 ))
6.000 5.000 0.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.687 ppm2 1.947 CV 1
ASSI { 709}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 38 and name HG2 ))
3.900 2.400 2.100 peak 709 spectrum 1 weight 0.10000E+01 volume 0.45249E-03 ppm1 7.668 ppm2 2.151 CV 1
ASSI { 710}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.900 2.400 2.100 peak 710 spectrum 1 weight 0.10000E+01 volume 0.47850E-03 ppm1 7.664 ppm2 2.358 CV 1
ASSI { 711}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.400 1.900 1.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.10337E-02 ppm1 7.665 ppm2 2.678 CV 1
ASSI { 712}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 35 and name HA ))
6.000 5.000 0.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.34848E-04 ppm1 8.691 ppm2 6.012 CV 1
ASSI { 713}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 35 and name HA ))
3.100 1.700 1.700 peak 713 spectrum 1 weight 0.10000E+01 volume 0.19699E-02 ppm1 8.794 ppm2 6.010 CV 1
ASSI { 714}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
6.000 5.000 0.000 peak 714 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.870 ppm2 4.276 CV 1
ASSI { 715}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD2 ))
6.000 5.000 0.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.869 ppm2 1.634 CV 1
ASSI { 716}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HG2 ))
2.400 1.200 1.200 peak 716 spectrum 1 weight 0.10000E+01 volume 0.83867E-02 ppm1 7.869 ppm2 1.489 CV 1
ASSI { 717}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HD3 ))
6.000 5.000 0.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.869 ppm2 1.489 CV 1
ASSI { 718}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HG3 ))
6.000 5.000 0.000 peak 718 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.869 ppm2 1.310 CV 1
ASSI { 719}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HE3 ))
6.000 5.000 0.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.869 ppm2 2.932 CV 1
ASSI { 720}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB3 ))
6.000 5.000 0.000 peak 720 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 0.923 CV 1
ASSI { 721}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 40 and name HG3 ))
6.000 5.000 0.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.417 ppm2 2.202 CV 1
ASSI { 722}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HA ))
6.000 5.000 0.000 peak 722 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 4.382 CV 1
ASSI { 723}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 41 and name HB ))
6.000 5.000 0.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.164 ppm2 4.349 CV 1
ASSI { 724}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.165 ppm2 2.777 CV 1
ASSI { 725}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.167 ppm2 2.733 CV 1
ASSI { 726}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 47 and name HG ))
6.000 5.000 0.000 peak 726 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 1.911 CV 1
ASSI { 727}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 0.867 CV 1
ASSI { 728}
(( segid " " and resid 47 and name HN ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 0.761 CV 1
ASSI { 729}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HA ))
6.000 5.000 0.000 peak 729 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 4.147 CV 1
ASSI { 730}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB2 ))
6.000 5.000 0.000 peak 730 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 1.950 CV 1
ASSI { 731}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HG ))
6.000 5.000 0.000 peak 731 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 1.489 CV 1
ASSI { 732}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 51 and name HB3 ))
6.000 5.000 0.000 peak 732 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 1.430 CV 1
ASSI { 733}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 0.835 CV 1
ASSI { 734}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 51 and name HD1%)
6.000 5.000 0.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.370 ppm2 0.770 CV 1
ASSI { 735}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB ))
6.000 5.000 0.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.695 ppm2 4.044 CV 1
ASSI { 736}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 63 and name HG2%)
2.400 1.200 1.200 peak 736 spectrum 1 weight 0.10000E+01 volume 0.74763E-02 ppm1 8.695 ppm2 1.257 CV 1
ASSI { 737}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HG3 ))
3.400 2.000 2.000 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 9.234 ppm2 2.358 CV 1
ASSI { 738}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HG2 ))
3.300 1.800 1.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.12808E-02 ppm1 9.234 ppm2 2.402 CV 1
ASSI { 739}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HG3 ))
6.000 5.000 0.000 peak 739 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.892 ppm2 2.215 CV 1
OR { 739}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HG2 ))
ASSI { 741}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HB ))
6.000 5.000 0.000 peak 741 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.695 ppm2 4.308 CV 1
ASSI { 742}
(( segid " " and resid 109 and name HN ))
(( segid " " and resid 109 and name HB3 ))
6.000 5.000 0.000 peak 742 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.400 ppm2 2.630 CV 1
ASSI { 743}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HD2 ))
6.000 5.000 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.368 ppm2 1.665 CV 1
OR { 743}
(( segid " " and resid 116 and name HN ))
(( segid " " and resid 116 and name HD3 ))
ASSI { 744}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.900 1.500 1.500 peak 744 spectrum 1 weight 0.10000E+01 volume 0.28801E-02 ppm1 7.670 ppm2 9.698 CV 1
ASSI { 745}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HN ))
4.300 2.800 1.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.26656E-03 ppm1 7.773 ppm2 9.688 CV 1
ASSI { 746}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
3.500 2.000 2.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.91022E-03 ppm1 7.672 ppm2 7.958 CV 1
ASSI { 747}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HN ))
6.000 6.000 0.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.17554E-05 ppm1 7.399 ppm2 7.957 CV 1
ASSI { 749}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.800 1.500 1.500 peak 749 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 7.459 ppm2 8.479 CV 1
ASSI { 750}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HA ))
3.900 2.400 2.100 peak 750 spectrum 1 weight 0.10000E+01 volume 0.48240E-03 ppm1 7.673 ppm2 4.536 CV 1
ASSI { 751}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HA ))
6.000 6.000 0.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.62478E-05 ppm1 7.404 ppm2 4.546 CV 1
ASSI { 752}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
3.600 2.200 2.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.68914E-03 ppm1 7.671 ppm2 4.797 CV 1
ASSI { 753}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 15 and name HA ))
6.000 5.000 0.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.778 ppm2 4.800 CV 1
ASSI { 754}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 87 and name HG2 ))
6.000 5.000 0.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.672 ppm2 2.220 CV 1
OR { 754}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 87 and name HG3 ))
ASSI { 755}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 90 and name HG1%)
3.500 2.000 2.000 peak 755 spectrum 1 weight 0.10000E+01 volume 0.89066E-03 ppm1 7.677 ppm2 0.694 CV 1
ASSI { 756}
(( segid " " and resid 18 and name HN ))
( segid " " and resid 90 and name HG1%)
6.000 5.000 0.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.963 ppm2 0.695 CV 1
ASSI { 757}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 90 and name HG1%)
3.400 2.000 2.000 peak 757 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 7.782 ppm2 0.689 CV 1
ASSI { 758}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 90 and name HG1%)
4.000 2.500 2.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.42389E-03 ppm1 7.403 ppm2 0.682 CV 1
ASSI { 759}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 32 and name HD1%)
3.500 2.100 2.100 peak 759 spectrum 1 weight 0.10000E+01 volume 0.81264E-03 ppm1 7.820 ppm2 0.719 CV 1
ASSI { 760}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 12 and name HD2%)
4.200 2.700 1.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.28086E-03 ppm1 7.774 ppm2 0.252 CV 1
ASSI { 761}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 12 and name HD1%)
4.600 3.200 1.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.16384E-03 ppm1 7.774 ppm2 0.421 CV 1
ASSI { 762}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HA ))
6.000 5.000 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.961 ppm2 4.276 CV 1
ASSI { 763}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 16 and name HA ))
2.900 1.500 1.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.29841E-02 ppm1 7.774 ppm2 4.275 CV 1
ASSI { 764}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 16 and name HA ))
3.500 2.100 2.100 peak 764 spectrum 1 weight 0.10000E+01 volume 0.83220E-03 ppm1 7.401 ppm2 4.288 CV 1
ASSI { 765}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.800 2.300 2.200 peak 765 spectrum 1 weight 0.10000E+01 volume 0.54287E-03 ppm1 7.448 ppm2 3.633 CV 1
ASSI { 766}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HG3 ))
6.000 5.000 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.402 ppm2 2.138 CV 1
ASSI { 767}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 19 and name HA ))
6.000 5.000 0.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.460 ppm2 3.845 CV 1
ASSI { 769}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 39 and name HN ))
6.000 5.000 0.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.319 ppm2 8.157 CV 1
ASSI { 771}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 47 and name HN ))
6.000 5.000 0.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.699 ppm2 8.890 CV 1
ASSI { 774}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 48 and name HN ))
3.700 2.200 2.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.67614E-03 ppm1 7.700 ppm2 8.442 CV 1
ASSI { 775}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HN ))
2.800 1.500 1.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.34197E-02 ppm1 9.007 ppm2 8.033 CV 1
ASSI { 778}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 40 and name HB3 ))
6.000 5.000 0.000 peak 778 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.163 ppm2 1.953 CV 1
ASSI { 779}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HB ))
3.700 2.300 2.300 peak 779 spectrum 1 weight 0.10000E+01 volume 0.58317E-03 ppm1 7.421 ppm2 4.358 CV 1
ASSI { 780}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 42 and name HA ))
3.000 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.20349E-02 ppm1 7.698 ppm2 4.376 CV 1
ASSI { 781}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 41 and name HA ))
5.400 4.200 0.600 peak 781 spectrum 1 weight 0.10000E+01 volume 0.63193E-04 ppm1 7.415 ppm2 3.920 CV 1
ASSI { 782}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.485 ppm2 2.732 CV 1
ASSI { 783}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 783 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 2.732 CV 1
ASSI { 784}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 784 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.317 ppm2 2.772 CV 1
ASSI { 785}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.417 ppm2 2.726 CV 1
ASSI { 786}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 786 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.417 ppm2 2.781 CV 1
ASSI { 787}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HG2 ))
4.300 2.800 1.700 peak 787 spectrum 1 weight 0.10000E+01 volume 0.24445E-03 ppm1 8.318 ppm2 2.274 CV 1
ASSI { 788}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HB3 ))
3.200 1.800 1.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.13783E-02 ppm1 8.320 ppm2 1.953 CV 1
ASSI { 789}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 39 and name HB% )
3.300 1.800 1.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.13263E-02 ppm1 8.314 ppm2 1.358 CV 1
ASSI { 790}
(( segid " " and resid 43 and name HN ))
( segid " " and resid 41 and name HG2%)
3.900 2.400 2.100 peak 790 spectrum 1 weight 0.10000E+01 volume 0.47525E-03 ppm1 7.484 ppm2 1.060 CV 1
ASSI { 791}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 41 and name HG2%)
6.000 5.000 0.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.698 ppm2 1.065 CV 1
ASSI { 792}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 41 and name HG2%)
6.000 5.000 0.000 peak 792 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 1.073 CV 1
ASSI { 793}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 44 and name HB3 ))
4.600 3.200 1.400 peak 793 spectrum 1 weight 0.10000E+01 volume 0.16188E-03 ppm1 7.485 ppm2 2.420 CV 1
ASSI { 794}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 38 and name HA ))
6.000 5.000 0.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 4.105 CV 1
ASSI { 795}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HB2 ))
4.300 2.800 1.700 peak 795 spectrum 1 weight 0.10000E+01 volume 0.26006E-03 ppm1 8.039 ppm2 2.894 CV 1
ASSI { 796}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HB3 ))
3.700 2.200 2.200 peak 796 spectrum 1 weight 0.10000E+01 volume 0.67614E-03 ppm1 8.039 ppm2 2.404 CV 1
ASSI { 797}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 44 and name HB3 ))
3.900 2.400 2.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.47265E-03 ppm1 8.908 ppm2 2.409 CV 1
ASSI { 798}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 44 and name HB3 ))
6.000 5.000 0.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 2.407 CV 1
ASSI { 799}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HB2 ))
3.800 2.300 2.200 peak 799 spectrum 1 weight 0.10000E+01 volume 0.54937E-03 ppm1 9.007 ppm2 1.963 CV 1
ASSI { 800}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.900 2.400 2.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.43299E-03 ppm1 7.698 ppm2 2.029 CV 1
ASSI { 801}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HD2%)
6.000 5.000 0.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.456 ppm2 0.764 CV 1
ASSI { 802}
(( segid " " and resid 48 and name HN ))
( segid " " and resid 47 and name HD1%)
6.000 5.000 0.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.455 ppm2 0.878 CV 1
ASSI { 803}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 47 and name HD2%)
3.500 2.100 2.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.80617E-03 ppm1 7.698 ppm2 0.761 CV 1
ASSI { 804}
(( segid " " and resid 44 and name HN ))
( segid " " and resid 47 and name HD1%)
3.000 1.600 1.600 peak 804 spectrum 1 weight 0.10000E+01 volume 0.20935E-02 ppm1 7.698 ppm2 0.862 CV 1
ASSI { 806}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 46 and name HN ))
6.000 5.000 0.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.456 ppm2 8.038 CV 1
ASSI { 807}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 47 and name HN ))
4.800 3.400 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.13263E-03 ppm1 8.108 ppm2 8.904 CV 1
ASSI { 808}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 46 and name HA ))
6.000 5.000 0.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.104 ppm2 4.323 CV 1
ASSI { 809}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 47 and name HG ))
6.000 5.000 0.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.456 ppm2 1.908 CV 1
ASSI { 810}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HD22))
3.400 2.000 2.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.98824E-03 ppm1 8.196 ppm2 6.886 CV 1
ASSI { 811}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HD21))
4.200 2.700 1.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.30296E-03 ppm1 8.197 ppm2 7.273 CV 1
ASSI { 813}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 56 and name HN ))
2.900 1.500 1.500 peak 813 spectrum 1 weight 0.10000E+01 volume 0.29971E-02 ppm1 7.999 ppm2 6.975 CV 1
ASSI { 814}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 56 and name HN ))
4.100 2.700 1.900 peak 814 spectrum 1 weight 0.10000E+01 volume 0.31597E-03 ppm1 7.620 ppm2 6.973 CV 1
ASSI { 817}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 57 and name HD22))
3.900 2.400 2.100 peak 817 spectrum 1 weight 0.10000E+01 volume 0.45770E-03 ppm1 9.025 ppm2 6.885 CV 1
ASSI { 818}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HD21))
4.100 2.600 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.33092E-03 ppm1 8.697 ppm2 6.989 CV 1
ASSI { 819}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 12 and name HD2%)
4.200 2.700 1.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.29906E-03 ppm1 7.450 ppm2 0.250 CV 1
ASSI { 820}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 12 and name HD1%)
5.200 3.900 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.82565E-04 ppm1 7.450 ppm2 0.411 CV 1
ASSI { 821}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 13 and name HB% )
3.600 2.100 2.100 peak 821 spectrum 1 weight 0.10000E+01 volume 0.74115E-03 ppm1 7.447 ppm2 1.374 CV 1
ASSI { 822}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HB3 ))
2.700 1.400 1.400 peak 822 spectrum 1 weight 0.10000E+01 volume 0.37903E-02 ppm1 9.137 ppm2 1.721 CV 1
ASSI { 823}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.000 1.600 1.600 peak 823 spectrum 1 weight 0.10000E+01 volume 0.23340E-02 ppm1 9.136 ppm2 1.874 CV 1
ASSI { 825}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HN ))
6.000 5.000 0.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.875 ppm2 6.672 CV 1
ASSI { 826}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 75 and name HE22))
6.000 5.000 0.000 peak 826 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.387 ppm2 6.713 CV 1
ASSI { 827}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HN ))
3.900 2.400 2.100 peak 827 spectrum 1 weight 0.10000E+01 volume 0.45120E-03 ppm1 9.132 ppm2 7.866 CV 1
ASSI { 828}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HN ))
3.600 2.100 2.100 peak 828 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 9.136 ppm2 7.437 CV 1
ASSI { 830}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 16 and name HN ))
3.100 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.16904E-02 ppm1 7.448 ppm2 9.694 CV 1
ASSI { 832}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.200 2.700 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.29126E-03 ppm1 7.669 ppm2 3.628 CV 1
ASSI { 833}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB3 ))
3.200 1.800 1.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 7.445 ppm2 3.200 CV 1
ASSI { 834}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 11 and name HB3 ))
6.000 5.000 0.000 peak 834 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.446 ppm2 1.713 CV 1
ASSI { 835}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 14 and name HG2%)
3.400 1.900 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10662E-02 ppm1 7.446 ppm2 1.087 CV 1
ASSI { 836}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.100 1.100 1.100 peak 836 spectrum 1 weight 0.10000E+01 volume 0.17554E-01 ppm1 8.167 ppm2 4.153 CV 1
ASSI { 837}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 8 and name HA ))
6.000 5.000 0.000 peak 837 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.998 ppm2 4.156 CV 1
ASSI { 838}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HD1%)
6.000 5.000 0.000 peak 838 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.384 ppm2 0.774 CV 1
ASSI { 839}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.384 ppm2 0.833 CV 1
ASSI { 840}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HA2 ))
6.000 5.000 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.371 ppm2 3.879 CV 1
ASSI { 841}
(( segid " " and resid 51 and name HN ))
(( segid " " and resid 52 and name HA1 ))
6.000 5.000 0.000 peak 841 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.371 ppm2 3.984 CV 1
ASSI { 844}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HN ))
3.100 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 8.199 ppm2 7.971 CV 1
ASSI { 847}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 105 and name HN ))
4.000 2.500 2.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.42064E-03 ppm1 8.099 ppm2 8.623 CV 1
ASSI { 848}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 101 and name HN ))
6.000 5.800 0.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.21389E-04 ppm1 6.986 ppm2 8.772 CV 1
ASSI { 850}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 52 and name HN ))
3.800 2.400 2.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.49736E-03 ppm1 6.987 ppm2 8.377 CV 1
ASSI { 851}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
3.100 1.700 1.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.19894E-02 ppm1 8.695 ppm2 8.946 CV 1
ASSI { 852}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 56 and name HB2 ))
6.000 5.000 0.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.921 ppm2 1.946 CV 1
ASSI { 853}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 54 and name HA1 ))
6.000 5.000 0.000 peak 853 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.622 ppm2 4.159 CV 1
ASSI { 854}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 54 and name HA1 ))
2.700 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.38748E-02 ppm1 7.919 ppm2 4.153 CV 1
ASSI { 855}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 54 and name HA1 ))
3.000 1.600 1.600 peak 855 spectrum 1 weight 0.10000E+01 volume 0.22300E-02 ppm1 6.990 ppm2 4.152 CV 1
ASSI { 856}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 52 and name HA1 ))
3.400 2.000 2.000 peak 856 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 6.989 ppm2 3.984 CV 1
ASSI { 857}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 104 and name HA ))
3.700 2.200 2.200 peak 857 spectrum 1 weight 0.10000E+01 volume 0.59163E-03 ppm1 7.968 ppm2 4.891 CV 1
ASSI { 858}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 104 and name HA ))
3.800 2.300 2.200 peak 858 spectrum 1 weight 0.10000E+01 volume 0.55717E-03 ppm1 9.044 ppm2 4.877 CV 1
ASSI { 859}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.043 ppm2 0.780 CV 1
ASSI { 860}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.044 ppm2 0.780 CV 1
ASSI { 861}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA2 ))
2.600 1.400 1.400 peak 861 spectrum 1 weight 0.10000E+01 volume 0.49736E-02 ppm1 7.970 ppm2 3.635 CV 1
ASSI { 862}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 862 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.193 ppm2 4.338 CV 1
ASSI { 863}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA1 ))
2.900 1.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.27566E-02 ppm1 8.197 ppm2 4.568 CV 1
ASSI { 864}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA1 ))
2.600 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.52466E-02 ppm1 7.972 ppm2 4.569 CV 1
ASSI { 865}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 105 and name HB2 ))
3.600 2.200 2.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.68264E-03 ppm1 9.046 ppm2 3.364 CV 1
ASSI { 866}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 105 and name HB3 ))
6.000 5.000 0.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.042 ppm2 2.522 CV 1
ASSI { 867}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 104 and name HB3 ))
3.500 2.000 2.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.94919E-03 ppm1 9.019 ppm2 2.606 CV 1
OR { 867}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 104 and name HB2 ))
ASSI { 868}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 104 and name HB3 ))
3.600 2.100 2.100 peak 868 spectrum 1 weight 0.10000E+01 volume 0.78013E-03 ppm1 8.199 ppm2 2.600 CV 1
OR { 868}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 104 and name HB2 ))
ASSI { 869}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 106 and name HA ))
4.200 2.800 1.800 peak 869 spectrum 1 weight 0.10000E+01 volume 0.27501E-03 ppm1 9.041 ppm2 4.530 CV 1
ASSI { 870}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 59 and name HD2%)
3.800 2.300 2.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 9.017 ppm2 0.775 CV 1
ASSI { 871}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 59 and name HD2%)
3.000 1.700 1.700 peak 871 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 7.892 ppm2 0.779 CV 1
ASSI { 872}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.955 ppm2 0.773 CV 1
ASSI { 873}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 33 and name HB% )
6.000 5.000 0.000 peak 873 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.689 ppm2 1.119 CV 1
ASSI { 874}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 63 and name HG2%)
6.000 5.000 0.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.955 ppm2 1.255 CV 1
ASSI { 875}
(( segid " " and resid 66 and name HN ))
( segid " " and resid 41 and name HG2%)
3.100 1.700 1.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.18659E-02 ppm1 7.610 ppm2 1.062 CV 1
ASSI { 876}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 41 and name HG2%)
4.800 3.300 1.200 peak 876 spectrum 1 weight 0.10000E+01 volume 0.13653E-03 ppm1 7.663 ppm2 1.067 CV 1
ASSI { 877}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 90 and name HN ))
3.300 1.800 1.800 peak 877 spectrum 1 weight 0.10000E+01 volume 0.13068E-02 ppm1 8.716 ppm2 8.210 CV 1
ASSI { 879}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 90 and name HG2%)
3.200 1.700 1.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.16253E-02 ppm1 8.714 ppm2 0.558 CV 1
ASSI { 880}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB3 ))
3.000 1.600 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.22560E-02 ppm1 8.859 ppm2 2.139 CV 1
ASSI { 881}
(( segid " " and resid 84 and name HN ))
( segid " " and resid 90 and name HG2%)
3.600 2.100 2.100 peak 881 spectrum 1 weight 0.10000E+01 volume 0.78668E-03 ppm1 8.859 ppm2 0.562 CV 1
ASSI { 882}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 90 and name HG2%)
4.700 3.200 1.300 peak 882 spectrum 1 weight 0.10000E+01 volume 0.15278E-03 ppm1 7.233 ppm2 0.554 CV 1
ASSI { 883}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 17 and name HB% )
3.200 1.800 1.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.14758E-02 ppm1 7.893 ppm2 0.955 CV 1
ASSI { 884}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 17 and name HB% )
3.800 2.300 2.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.51036E-03 ppm1 7.390 ppm2 0.949 CV 1
ASSI { 885}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 92 and name HE2 ))
3.900 2.400 2.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.42974E-03 ppm1 7.807 ppm2 2.962 CV 1
OR { 885}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 92 and name HE3 ))
ASSI { 886}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 79 and name HA ))
3.400 2.000 2.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 7.486 ppm2 3.864 CV 1
ASSI { 887}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 79 and name HA ))
3.000 1.700 1.700 peak 887 spectrum 1 weight 0.10000E+01 volume 0.20544E-02 ppm1 7.807 ppm2 3.858 CV 1
ASSI { 888}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 80 and name HA ))
3.300 1.900 1.900 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12158E-02 ppm1 7.807 ppm2 4.214 CV 1
ASSI { 889}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 89 and name HA ))
3.300 1.800 1.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.13198E-02 ppm1 7.233 ppm2 5.203 CV 1
ASSI { 890}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HA ))
3.500 2.000 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.87117E-03 ppm1 7.891 ppm2 4.842 CV 1
ASSI { 891}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HA1 ))
3.100 1.700 1.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.17554E-02 ppm1 7.386 ppm2 5.023 CV 1
ASSI { 892}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 88 and name HA1 ))
3.800 2.300 2.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.55457E-03 ppm1 7.892 ppm2 5.019 CV 1
ASSI { 893}
(( segid " " and resid 108 and name HN ))
(( segid " " and resid 109 and name HN ))
6.000 5.000 0.000 peak 893 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.489 ppm2 8.388 CV 1
ASSI { 894}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 60 and name HN ))
4.100 2.600 1.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.33352E-03 ppm1 8.886 ppm2 9.038 CV 1
ASSI { 895}
(( segid " " and resid 111 and name HN ))
(( segid " " and resid 111 and name HA ))
6.000 5.000 0.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.364 ppm2 4.283 CV 1
ASSI { 896}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 116 and name HG3 ))
3.200 1.800 1.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.13718E-02 ppm1 8.031 ppm2 1.420 CV 1
OR { 896}
(( segid " " and resid 115 and name HN ))
(( segid " " and resid 116 and name HG2 ))
ASSI { 897}
(( segid " " and resid 116 and name HN ))
( segid " " and resid 115 and name HG2%)
3.400 1.900 1.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.10988E-02 ppm1 8.363 ppm2 1.187 CV 1
ASSI { 898}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 109 and name HB3 ))
6.000 5.000 0.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.449 ppm2 2.634 CV 1
ASSI { 899}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 98 and name HA ))
6.000 5.000 0.000 peak 899 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.712 ppm2 5.182 CV 1
ASSI { 901}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 103 and name HN ))
3.400 1.900 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.10922E-02 ppm1 7.688 ppm2 8.097 CV 1
ASSI { 902}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 102 and name HA ))
3.500 2.000 2.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.94272E-03 ppm1 7.693 ppm2 4.678 CV 1
ASSI { 903}
(( segid " " and resid 101 and name HN ))
(( segid " " and resid 100 and name HG2 ))
3.000 1.700 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 8.782 ppm2 2.322 CV 1
ASSI { 904}
(( segid " " and resid 101 and name HN ))
( segid " " and resid 102 and name HG2%)
3.400 1.900 1.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.11052E-02 ppm1 8.787 ppm2 1.163 CV 1
ASSI { 905}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HD21))
6.000 5.000 0.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.623 ppm2 7.422 CV 1
ASSI { 906}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 104 and name HD22))
6.000 6.000 0.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.85168E-05 ppm1 8.621 ppm2 6.877 CV 1
ASSI { 907}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 907 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.712 ppm2 3.892 CV 1
ASSI { 908}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HN ))
4.400 3.000 1.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.21260E-03 ppm1 8.405 ppm2 7.598 CV 1
ASSI { 909}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 94 and name HD1%)
6.000 5.000 0.000 peak 909 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.406 ppm2 0.642 CV 1
ASSI { 910}
(( segid " " and resid 97 and name HN ))
( segid " " and resid 107 and name HB% )
3.400 2.000 2.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.10142E-02 ppm1 9.050 ppm2 1.407 CV 1
ASSI { 911}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 1.600 1.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.23340E-02 ppm1 8.359 ppm2 6.024 CV 1
ASSI { 912}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 73 and name HN ))
4.200 2.700 1.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.30686E-03 ppm1 8.658 ppm2 8.063 CV 1
ASSI { 913}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HN ))
3.500 2.000 2.000 peak 913 spectrum 1 weight 0.10000E+01 volume 0.85168E-03 ppm1 8.658 ppm2 8.371 CV 1
ASSI { 914}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB2 ))
4.000 2.500 2.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.40958E-03 ppm1 7.461 ppm2 1.875 CV 1
ASSI { 915}
(( segid " " and resid 48 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.700 2.200 2.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.64493E-03 ppm1 8.457 ppm2 2.906 CV 1
ASSI { 916}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB2 ))
6.000 5.000 0.000 peak 916 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.818 ppm2 1.874 CV 1
ASSI { 917}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HD21))
2.300 1.200 1.200 peak 917 spectrum 1 weight 0.10000E+01 volume 0.98824E-02 ppm1 6.896 ppm2 7.277 CV 1
ASSI { 919}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 100 and name HG2 ))
6.000 5.000 0.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.615 ppm2 2.317 CV 1
OR { 919}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 100 and name HG3 ))
ASSI { 920}
(( segid " " and resid 107 and name HN ))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.887 ppm2 3.802 CV 1
ASSI { 921}
(( segid " " and resid 106 and name HN ))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 921 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.711 ppm2 3.808 CV 1
ASSI { 922}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 78 and name HD2%)
4.100 2.600 1.900 peak 922 spectrum 1 weight 0.10000E+01 volume 0.31857E-03 ppm1 7.940 ppm2 0.653 CV 1
ASSI { 923}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 91 and name HN ))
4.300 2.800 1.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.25420E-03 ppm1 8.719 ppm2 9.683 CV 1
ASSI { 925}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 90 and name HN ))
5.600 4.400 0.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.54287E-04 ppm1 8.861 ppm2 8.206 CV 1
ASSI { 926}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 90 and name HN ))
4.100 2.600 1.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.35042E-03 ppm1 7.234 ppm2 8.225 CV 1
ASSI { 927}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
3.000 1.600 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 7.698 ppm2 4.671 CV 1
ASSI { 928}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 16 and name HB% )
2.400 1.200 1.200 peak 928 spectrum 1 weight 0.10000E+01 volume 0.82565E-02 ppm1 9.711 ppm2 1.601 CV 1
ASSI { 932}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.700 1.400 1.400 peak 932 spectrum 1 weight 0.10000E+01 volume 0.45315E-02 ppm1 9.710 ppm2 4.803 CV 1
ASSI { 933}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.800 1.500 1.500 peak 933 spectrum 1 weight 0.10000E+01 volume 0.33157E-02 ppm1 9.710 ppm2 4.280 CV 1
ASSI { 934}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.500 2.000 2.000 peak 934 spectrum 1 weight 0.10000E+01 volume 0.85816E-03 ppm1 9.709 ppm2 4.571 CV 1
ASSI { 935}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 17 and name HB% )
6.000 5.000 0.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.711 ppm2 0.958 CV 1
ASSI { 936}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.900 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.28931E-02 ppm1 6.683 ppm2 9.127 CV 1
ASSI { 937}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.700 1.400 1.400 peak 937 spectrum 1 weight 0.10000E+01 volume 0.38488E-02 ppm1 6.681 ppm2 4.537 CV 1
ASSI { 938}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB ))
6.000 5.000 0.000 peak 938 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.682 ppm2 4.658 CV 1
ASSI { 939}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 15 and name HB3 ))
3.600 2.100 2.100 peak 939 spectrum 1 weight 0.10000E+01 volume 0.75418E-03 ppm1 6.682 ppm2 4.187 CV 1
ASSI { 940}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
6.000 5.000 0.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.682 ppm2 3.877 CV 1
ASSI { 941}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HG2%)
2.700 1.400 1.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.46290E-02 ppm1 6.682 ppm2 1.089 CV 1
ASSI { 942}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HB% )
2.700 1.400 1.400 peak 942 spectrum 1 weight 0.10000E+01 volume 0.39594E-02 ppm1 6.682 ppm2 1.368 CV 1
ASSI { 943}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB3 ))
3.800 2.300 2.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.49866E-03 ppm1 6.680 ppm2 1.724 CV 1
ASSI { 944}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.900 2.400 2.100 peak 944 spectrum 1 weight 0.10000E+01 volume 0.44924E-03 ppm1 6.681 ppm2 1.861 CV 1
ASSI { 945}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 78 and name HD2%)
6.000 5.000 0.000 peak 945 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.036 ppm2 0.640 CV 1
ASSI { 946}
(( segid " " and resid 105 and name HN ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.621 ppm2 0.780 CV 1
ASSI { 948}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 96 and name HB% )
6.000 5.000 0.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.044 ppm2 1.112 CV 1
ASSI { 949}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 67 and name HA ))
3.600 2.100 2.100 peak 949 spectrum 1 weight 0.10000E+01 volume 0.70865E-03 ppm1 8.358 ppm2 5.556 CV 1
ASSI { 950}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 36 and name HA ))
3.600 2.100 2.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.72165E-03 ppm1 7.587 ppm2 5.367 CV 1
ASSI { 951}
(( segid " " and resid 37 and name HN ))
( segid " " and resid 94 and name HG2%)
4.700 3.300 1.300 peak 951 spectrum 1 weight 0.10000E+01 volume 0.14498E-03 ppm1 8.918 ppm2 0.801 CV 1
ASSI { 952}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 86 and name HA ))
3.900 2.400 2.100 peak 952 spectrum 1 weight 0.10000E+01 volume 0.45965E-03 ppm1 7.387 ppm2 4.111 CV 1
ASSI { 953}
(( segid " " and resid 21 and name HE22))
(( segid " " and resid 21 and name HG3 ))
6.000 5.000 0.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.578 ppm2 2.131 CV 1
ASSI { 956}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 65 and name HN ))
4.800 3.300 1.200 peak 956 spectrum 1 weight 0.10000E+01 volume 0.13978E-03 ppm1 7.980 ppm2 7.654 CV 1
ASSI { 957}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 41 and name HA ))
6.000 5.000 0.000 peak 957 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.486 ppm2 3.926 CV 1
ASSI { 959}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HN ))
5.900 4.800 0.100 peak 959 spectrum 1 weight 0.10000E+01 volume 0.39788E-04 ppm1 7.445 ppm2 7.949 CV 1
ASSI { 960}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HA ))
6.000 5.000 0.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.447 ppm2 3.786 CV 1
ASSI { 961}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 18 and name HN ))
4.100 2.600 1.900 peak 961 spectrum 1 weight 0.10000E+01 volume 0.35042E-03 ppm1 9.712 ppm2 7.956 CV 1
ASSI { 962}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 88 and name HA1 ))
3.700 2.300 2.300 peak 962 spectrum 1 weight 0.10000E+01 volume 0.58057E-03 ppm1 7.671 ppm2 5.019 CV 1
ASSI { 964}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 17 and name HB% )
3.700 2.200 2.200 peak 964 spectrum 1 weight 0.10000E+01 volume 0.58967E-03 ppm1 7.402 ppm2 0.953 CV 1
ASSI { 965}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 32 and name HD1%)
3.800 2.300 2.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.55457E-03 ppm1 7.462 ppm2 0.713 CV 1
ASSI { 966}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 19 and name HB% )
3.700 2.200 2.200 peak 966 spectrum 1 weight 0.10000E+01 volume 0.66964E-03 ppm1 7.816 ppm2 1.495 CV 1
ASSI { 967}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 19 and name HB% )
3.500 2.100 2.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.82565E-03 ppm1 7.462 ppm2 1.481 CV 1
ASSI { 968}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 82 and name HG1%)
3.900 2.400 2.100 peak 968 spectrum 1 weight 0.10000E+01 volume 0.43299E-03 ppm1 7.231 ppm2 0.729 CV 1
ASSI { 969}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 36 and name HN ))
3.500 2.000 2.000 peak 969 spectrum 1 weight 0.10000E+01 volume 0.93618E-03 ppm1 9.434 ppm2 8.371 CV 1
ASSI { 970}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 93 and name HB3 ))
4.100 2.600 1.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.34002E-03 ppm1 8.916 ppm2 2.975 CV 1
ASSI { 971}
(( segid " " and resid 40 and name HN ))
(( segid " " and resid 37 and name HN ))
4.200 2.800 1.800 peak 971 spectrum 1 weight 0.10000E+01 volume 0.27631E-03 ppm1 7.428 ppm2 8.910 CV 1
ASSI { 972}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 39 and name HB% )
3.500 2.100 2.100 peak 972 spectrum 1 weight 0.10000E+01 volume 0.80617E-03 ppm1 8.167 ppm2 1.349 CV 1
ASSI { 973}
(( segid " " and resid 42 and name HN ))
(( segid " " and resid 39 and name HA ))
3.600 2.100 2.100 peak 973 spectrum 1 weight 0.10000E+01 volume 0.71515E-03 ppm1 8.163 ppm2 4.060 CV 1
ASSI { 974}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HB3 ))
4.100 2.600 1.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.36148E-03 ppm1 9.006 ppm2 1.667 CV 1
ASSI { 975}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 46 and name HA ))
3.800 2.300 2.200 peak 975 spectrum 1 weight 0.10000E+01 volume 0.54351E-03 ppm1 9.006 ppm2 4.326 CV 1
ASSI { 976}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 44 and name HA ))
3.300 1.900 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.12093E-02 ppm1 8.040 ppm2 4.956 CV 1
ASSI { 977}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HB3 ))
3.800 2.300 2.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.50255E-03 ppm1 8.904 ppm2 1.658 CV 1
ASSI { 978}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 44 and name HB2 ))
3.300 1.900 1.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.12222E-02 ppm1 8.903 ppm2 2.908 CV 1
ASSI { 979}
(( segid " " and resid 51 and name HN ))
( segid " " and resid 66 and name HB% )
3.500 2.000 2.000 peak 979 spectrum 1 weight 0.10000E+01 volume 0.88419E-03 ppm1 8.376 ppm2 1.306 CV 1
ASSI { 980}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 56 and name HB3 ))
6.000 5.000 0.000 peak 980 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.997 ppm2 1.306 CV 1
ASSI { 981}
(( segid " " and resid 57 and name HD22))
( segid " " and resid 103 and name HG2%)
3.700 2.200 2.200 peak 981 spectrum 1 weight 0.10000E+01 volume 0.67614E-03 ppm1 6.895 ppm2 1.192 CV 1
ASSI { 982}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HB3 ))
3.500 2.100 2.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.81264E-03 ppm1 6.892 ppm2 2.395 CV 1
ASSI { 983}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HB3 ))
3.500 2.000 2.000 peak 983 spectrum 1 weight 0.10000E+01 volume 0.93618E-03 ppm1 7.286 ppm2 2.382 CV 1
ASSI { 984}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HB2 ))
3.300 1.900 1.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 7.288 ppm2 2.999 CV 1
ASSI { 985}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 103 and name HA ))
4.500 3.000 1.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.20739E-03 ppm1 7.286 ppm2 4.336 CV 1
ASSI { 986}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 103 and name HA ))
3.400 2.000 2.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.10272E-02 ppm1 6.898 ppm2 4.329 CV 1
ASSI { 987}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HA ))
3.200 1.800 1.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.14238E-02 ppm1 7.291 ppm2 4.869 CV 1
ASSI { 988}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HG ))
3.400 1.900 1.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 9.042 ppm2 1.446 CV 1
ASSI { 989}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HN ))
3.700 2.200 2.200 peak 989 spectrum 1 weight 0.10000E+01 volume 0.60072E-03 ppm1 6.988 ppm2 7.892 CV 1
ASSI { 990}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HA ))
3.700 2.200 2.200 peak 990 spectrum 1 weight 0.10000E+01 volume 0.64493E-03 ppm1 6.989 ppm2 5.061 CV 1
ASSI { 991}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 65 and name HB2 ))
4.600 3.100 1.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.17489E-03 ppm1 6.989 ppm2 3.876 CV 1
ASSI { 992}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 65 and name HB3 ))
4.500 3.000 1.500 peak 992 spectrum 1 weight 0.10000E+01 volume 0.19699E-03 ppm1 6.991 ppm2 3.765 CV 1
ASSI { 993}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 59 and name HG ))
3.700 2.200 2.200 peak 993 spectrum 1 weight 0.10000E+01 volume 0.66964E-03 ppm1 6.989 ppm2 1.439 CV 1
ASSI { 994}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 59 and name HB2 ))
5.500 4.300 0.500 peak 994 spectrum 1 weight 0.10000E+01 volume 0.59097E-04 ppm1 6.991 ppm2 1.712 CV 1
ASSI { 995}
(( segid " " and resid 62 and name HD21))
( segid " " and resid 59 and name HD2%)
6.000 5.000 0.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.990 ppm2 0.778 CV 1
ASSI { 996}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HA ))
6.000 5.000 0.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.892 ppm2 4.069 CV 1
ASSI { 997}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 59 and name HB2 ))
3.800 2.300 2.200 peak 997 spectrum 1 weight 0.10000E+01 volume 0.56107E-03 ppm1 8.959 ppm2 1.732 CV 1
ASSI { 998}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 998 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.666 ppm2 0.785 CV 1
ASSI { 999}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HA ))
4.300 2.800 1.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.26070E-03 ppm1 7.009 ppm2 3.235 CV 1
ASSI { 1000}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 80 and name HN ))
6.000 5.000 0.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.807 ppm2 8.871 CV 1
ASSI { 1001}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HD2 ))
3.700 2.200 2.200 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.59683E-03 ppm1 7.385 ppm2 3.646 CV 1
ASSI { 1002}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 116 and name HD2 ))
6.000 5.000 0.000 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.219 ppm2 1.675 CV 1
OR { 1002}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 116 and name HD3 ))
ASSI { 1003}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HD22))
4.100 2.600 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.34392E-03 ppm1 7.589 ppm2 7.151 CV 1
ASSI { 1005}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HD22))
4.400 2.900 1.600 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22430E-03 ppm1 8.449 ppm2 6.878 CV 1
ASSI { 1006}
(( segid " " and resid 110 and name HN ))
(( segid " " and resid 110 and name HD21))
3.900 2.400 2.100 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.43884E-03 ppm1 8.447 ppm2 7.585 CV 1
ASSI { 1007}
(( segid " " and resid 92 and name HN ))
( segid " " and resid 82 and name HG2%)
6.000 5.000 0.000 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.767 ppm2 0.779 CV 1
ASSI { 1008}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 40 and name HA ))
6.000 5.000 0.000 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.485 ppm2 4.212 CV 1
ASSI { 1009}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 93 and name HB3 ))
6.000 5.000 0.000 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.606 ppm2 2.981 CV 1
ASSI { 1010}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 93 and name HB3 ))
6.000 5.000 0.000 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.159 ppm2 2.980 CV 1
ASSI { 1011}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 93 and name HB2 ))
6.000 5.000 0.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.160 ppm2 3.181 CV 1
ASSI { 1012}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 93 and name HB2 ))
6.000 5.000 0.000 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.607 ppm2 3.185 CV 1
ASSI { 1013}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 93 and name HD22))
6.000 5.000 0.000 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.608 ppm2 7.147 CV 1
ASSI { 1015}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 93 and name HN ))
6.000 5.000 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.164 ppm2 9.184 CV 1
ASSI { 1016}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 93 and name HN ))
6.000 5.000 0.000 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.610 ppm2 9.181 CV 1
ASSI { 1017}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 36 and name HA ))
6.000 5.000 0.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.162 ppm2 5.382 CV 1
ASSI { 1018}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 36 and name HA ))
6.000 5.000 0.000 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.608 ppm2 5.386 CV 1
ASSI { 1019}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 93 and name HA ))
6.000 5.000 0.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.159 ppm2 5.082 CV 1
ASSI { 1020}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 93 and name HA ))
6.000 5.000 0.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.605 ppm2 5.081 CV 1
ASSI { 1021}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.159 ppm2 1.303 CV 1
ASSI { 1022}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.160 ppm2 1.562 CV 1
ASSI { 1023}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 92 and name HG2 ))
6.000 5.000 0.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.607 ppm2 1.302 CV 1
ASSI { 1024}
(( segid " " and resid 93 and name HD21))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.608 ppm2 1.575 CV 1
ASSI { 1025}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 104 and name HD22))
6.000 5.000 0.000 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.422 ppm2 6.874 CV 1
ASSI { 1027}
(( segid " " and resid 43 and name HD21))
(( segid " " and resid 43 and name HD22))
6.000 5.000 0.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.509 ppm2 6.778 CV 1
ASSI { 1028}
(( segid " " and resid 43 and name HD22))
(( segid " " and resid 43 and name HN ))
6.000 5.000 0.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.789 ppm2 7.494 CV 1
ASSI { 1029}
(( segid " " and resid 43 and name HD21))
(( segid " " and resid 43 and name HB3 ))
6.000 5.000 0.000 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.509 ppm2 2.831 CV 1
ASSI { 1031}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 76 and name HD2%)
6.000 5.000 0.000 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.938 ppm2 0.782 CV 1
ASSI { 1032}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.937 ppm2 0.805 CV 1
ASSI { 1033}
(( segid " " and resid 21 and name HE21))
(( segid " " and resid 21 and name HE22))
6.000 5.000 0.000 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.400 ppm2 6.576 CV 1
ASSI { 1035}
(( segid " " and resid 21 and name HE21))
(( segid " " and resid 21 and name HG3 ))
3.400 2.000 2.000 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.10077E-02 ppm1 7.400 ppm2 2.128 CV 1
ASSI { 1036}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 75 and name HG2 ))
6.000 5.000 0.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.387 ppm2 2.490 CV 1
ASSI { 1037}
(( segid " " and resid 21 and name HE21))
( segid " " and resid 95 and name HG1%)
6.000 5.000 0.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.394 ppm2 0.904 CV 1
ASSI { 1038}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.237 ppm2 4.006 CV 1
OR { 1038}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB3 ))
ASSI { 1039}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HD21))
6.000 5.000 0.000 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.943 ppm2 7.412 CV 1
ASSI { 1040}
(( segid " " and resid 104 and name HN ))
(( segid " " and resid 104 and name HD22))
6.000 5.000 0.000 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.944 ppm2 6.876 CV 1
ASSI { 1043}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.422 ppm2 9.028 CV 1
ASSI { 1044}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 60 and name HN ))
6.000 5.000 0.000 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.887 ppm2 9.028 CV 1
ASSI { 1045}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 104 and name HA ))
6.000 5.000 0.000 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.423 ppm2 4.876 CV 1
ASSI { 1046}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 104 and name HA ))
6.000 5.000 0.000 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.890 ppm2 4.874 CV 1
ASSI { 1047}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.420 ppm2 4.335 CV 1
ASSI { 1048}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 103 and name HA ))
6.000 5.000 0.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.890 ppm2 4.335 CV 1
ASSI { 1049}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 60 and name HA ))
6.000 5.000 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.421 ppm2 4.072 CV 1
ASSI { 1050}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.425 ppm2 3.807 CV 1
ASSI { 1051}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 60 and name HB3 ))
6.000 5.000 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.881 ppm2 3.798 CV 1
ASSI { 1052}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 104 and name HB2 ))
6.000 5.000 0.000 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.423 ppm2 2.602 CV 1
OR { 1052}
(( segid " " and resid 104 and name HD21))
(( segid " " and resid 104 and name HB3 ))
ASSI { 1053}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 104 and name HB2 ))
6.000 5.000 0.000 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.886 ppm2 2.604 CV 1
OR { 1053}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 104 and name HB3 ))
ASSI { 1054}
(( segid " " and resid 104 and name HD21))
( segid " " and resid 103 and name HG2%)
6.000 5.000 0.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.424 ppm2 1.188 CV 1
ASSI { 1055}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 76 and name HN ))
6.000 5.000 0.000 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.388 ppm2 8.344 CV 1
ASSI { 1056}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 74 and name HN ))
6.000 5.000 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.388 ppm2 8.101 CV 1
ASSI { 1057}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 75 and name HA ))
6.000 5.000 0.000 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.389 ppm2 4.082 CV 1
ASSI { 1058}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 75 and name HA ))
6.000 5.000 0.000 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.725 ppm2 4.082 CV 1
ASSI { 1059}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 74 and name HA ))
6.000 5.000 0.000 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.725 ppm2 4.445 CV 1
ASSI { 1060}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 74 and name HA ))
6.000 5.000 0.000 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.389 ppm2 4.448 CV 1
ASSI { 1061}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 71 and name HB3 ))
6.000 5.000 0.000 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.387 ppm2 3.919 CV 1
OR { 1061}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 71 and name HB2 ))
ASSI { 1062}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 71 and name HB3 ))
6.000 5.000 0.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.726 ppm2 3.916 CV 1
OR { 1062}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 71 and name HB2 ))
ASSI { 1063}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 75 and name HG2 ))
6.000 5.000 0.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.724 ppm2 2.499 CV 1
ASSI { 1064}
(( segid " " and resid 75 and name HE21))
(( segid " " and resid 75 and name HG3 ))
6.000 5.000 0.000 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.388 ppm2 2.327 CV 1
ASSI { 1065}
(( segid " " and resid 75 and name HE22))
(( segid " " and resid 75 and name HG3 ))
6.000 5.000 0.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.726 ppm2 2.332 CV 1
ASSI { 1066}
(( segid " " and resid 75 and name HE22))
( segid " " and resid 53 and name HB% )
6.000 5.000 0.000 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.726 ppm2 1.480 CV 1
ASSI { 1067}
(( segid " " and resid 75 and name HE21))
( segid " " and resid 53 and name HB% )
6.000 5.000 0.000 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.388 ppm2 1.479 CV 1
ASSI { 1068}
(( segid " " and resid 75 and name HE22))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.723 ppm2 0.973 CV 1
ASSI { 1069}
(( segid " " and resid 75 and name HE22))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.728 ppm2 0.798 CV 1
ASSI { 1070}
(( segid " " and resid 75 and name HE21))
( segid " " and resid 76 and name HD1%)
6.000 5.000 0.000 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.386 ppm2 0.796 CV 1
ASSI { 1071}
(( segid " " and resid 75 and name HE21))
( segid " " and resid 72 and name HD2%)
6.000 5.000 0.000 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.386 ppm2 0.977 CV 1
ASSI { 1072}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HN ))
3.800 2.300 2.200 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.57147E-03 ppm1 6.890 ppm2 7.887 CV 1
ASSI { 1073}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HD21))
6.000 5.000 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.892 ppm2 6.987 CV 1
ASSI { 1075}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HA ))
6.000 5.000 0.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.893 ppm2 5.057 CV 1
ASSI { 1076}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 65 and name HB2 ))
6.000 5.000 0.000 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.894 ppm2 3.876 CV 1
ASSI { 1077}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 65 and name HB3 ))
6.000 5.000 0.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.894 ppm2 3.762 CV 1
ASSI { 1078}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HB3 ))
6.000 5.000 0.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.891 ppm2 2.377 CV 1
ASSI { 1079}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HB2 ))
6.000 5.000 0.000 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.897 ppm2 2.669 CV 1
ASSI { 1080}
(( segid " " and resid 62 and name HD22))
( segid " " and resid 59 and name HD1%)
6.000 5.000 0.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.892 ppm2 0.779 CV 1
ASSI { 1081}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 59 and name HG ))
6.000 5.000 0.000 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.892 ppm2 1.445 CV 1
ASSI { 1082}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HD21))
6.000 5.000 0.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.101 ppm2 7.272 CV 1
ASSI { 1083}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HB2 ))
6.000 5.000 0.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.893 ppm2 2.997 CV 1
ASSI { 1084}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 102 and name HA ))
6.000 5.000 0.000 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.893 ppm2 4.676 CV 1
ASSI { 1085}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.629 ppm2 8.149 CV 1
ASSI { 1086}
(( segid " " and resid 9 and name HD22))
(( segid " " and resid 8 and name HN ))
6.000 5.000 0.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.947 ppm2 8.150 CV 1
ASSI { 1087}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HA ))
6.000 5.000 0.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.630 ppm2 4.681 CV 1
ASSI { 1088}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HN ))
6.000 5.000 0.000 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.537 ppm2 8.162 CV 1
ASSI { 1089}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 42 and name HN ))
6.000 5.000 0.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.857 ppm2 8.152 CV 1
ASSI { 1090}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HA ))
6.000 5.000 0.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.536 ppm2 4.381 CV 1
ASSI { 1091}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 39 and name HA ))
6.000 5.000 0.000 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.536 ppm2 4.068 CV 1
ASSI { 1093}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
6.000 5.000 0.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 4.730 CV 1
ASSI { 1094}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB ))
6.000 5.000 0.000 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.232 ppm2 1.916 CV 1
ASSI { 1095}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG12))
6.000 5.000 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.231 ppm2 1.626 CV 1
ASSI { 1096}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HG13))
6.000 5.000 0.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 1.215 CV 1
ASSI { 1097}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HG2%)
6.000 5.000 0.000 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.232 ppm2 1.004 CV 1
ASSI { 1098}
(( segid " " and resid 32 and name HN ))
( segid " " and resid 32 and name HD1%)
6.000 5.000 0.000 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.237 ppm2 0.725 CV 1
ASSI { 1099}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 33 and name HN ))
6.000 5.000 0.000 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.235 ppm2 9.167 CV 1
ASSI { 1100}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HN ))
6.000 5.000 0.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.237 ppm2 8.455 CV 1
ASSI { 1102}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HD22))
6.000 5.000 0.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.699 ppm2 6.785 CV 1
ASSI { 1103}
(( segid " " and resid 43 and name HD22))
(( segid " " and resid 43 and name HA ))
6.000 5.000 0.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.790 ppm2 4.668 CV 1
ASSI { 1104}
(( segid " " and resid 43 and name HD21))
(( segid " " and resid 43 and name HA ))
6.000 5.000 0.000 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.508 ppm2 4.663 CV 1
ASSI { 1105}
(( segid " " and resid 43 and name HD22))
( segid " " and resid 39 and name HB% )
6.000 5.000 0.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.789 ppm2 1.350 CV 1
ASSI { 1106}
(( segid " " and resid 43 and name HD21))
( segid " " and resid 39 and name HB% )
6.000 5.000 0.000 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.507 ppm2 1.350 CV 1
ASSI { 1108}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HD22))
6.000 5.000 0.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.628 ppm2 6.944 CV 1
ASSI { 1110}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 10 and name HA ))
6.000 5.000 0.000 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.630 ppm2 4.312 CV 1
ASSI { 1111}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB3 ))
6.000 5.000 0.000 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.628 ppm2 2.766 CV 1
ASSI { 1112}
(( segid " " and resid 9 and name HD21))
(( segid " " and resid 9 and name HB2 ))
6.000 5.000 0.000 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.628 ppm2 2.844 CV 1
ASSI { 1115}
(( segid " " and resid 110 and name HD22))
(( segid " " and resid 109 and name HN ))
6.000 5.000 0.000 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.867 ppm2 8.406 CV 1
ASSI { 1116}
(( segid " " and resid 110 and name HD22))
(( segid " " and resid 109 and name HA ))
6.000 5.000 0.000 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.869 ppm2 4.659 CV 1
ASSI { 1117}
(( segid " " and resid 110 and name HD21))
(( segid " " and resid 110 and name HA ))
6.000 5.000 0.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 4.689 CV 1
ASSI { 1118}
(( segid " " and resid 110 and name HD21))
( segid " " and resid 107 and name HB% )
6.000 5.000 0.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.603 ppm2 1.408 CV 1
ASSI { 1119}
(( segid " " and resid 42 and name HD21))
( segid " " and resid 80 and name HB% )
6.000 5.000 0.000 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.531 ppm2 1.381 CV 1
ASSI { 1120}
(( segid " " and resid 110 and name HD21))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 0.908 CV 1
ASSI { 1121}
(( segid " " and resid 110 and name HD21))
( segid " " and resid 108 and name HG2%)
6.000 5.000 0.000 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.604 ppm2 0.852 CV 1
ASSI { 1122}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HD22))
6.000 5.000 0.000 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.536 ppm2 6.845 CV 1
ASSI { 1123}
(( segid " " and resid 42 and name HD22))
(( segid " " and resid 41 and name HB ))
6.000 5.000 0.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.862 ppm2 4.337 CV 1
ASSI { 1124}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HB3 ))
6.000 5.000 0.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.537 ppm2 2.730 CV 1
ASSI { 1125}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 42 and name HB2 ))
6.000 5.000 0.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.537 ppm2 2.781 CV 1
ASSI { 1126}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 38 and name HB3 ))
4.000 2.500 2.000 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.41933E-03 ppm1 7.668 ppm2 1.941 CV 1
ASSI { 1127}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HB2 ))
6.000 5.000 0.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.000 ppm2 1.641 CV 1
OR { 1127}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HB3 ))
ASSI { 1128}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 56 and name HB2 ))
3.900 2.400 2.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.46810E-03 ppm1 7.999 ppm2 1.951 CV 1
ASSI { 1130}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 90 and name HG1%)
6.000 5.000 0.000 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.451 ppm2 0.688 CV 1
ASSI { 1131}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 34 and name HA ))
3.800 2.300 2.200 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.56301E-03 ppm1 8.407 ppm2 5.967 CV 1
ASSI { 1132}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HB3 ))
4.700 3.300 1.300 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.14823E-03 ppm1 7.674 ppm2 3.181 CV 1
ASSI { 1133}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 75 and name HB2 ))
6.000 5.000 0.000 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.004 ppm2 2.283 CV 1
ASSI { 1135}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG ))
2.900 1.500 1.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.27501E-02 ppm1 6.988 ppm2 1.457 CV 1
ASSI { 1136}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HD2 ))
6.000 5.000 0.000 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.176 ppm2 3.698 CV 1
ASSI { 1137}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HG2 ))
6.000 5.000 0.000 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.172 ppm2 2.153 CV 1
ASSI { 1138}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
3.200 1.800 1.800 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 9.433 ppm2 5.962 CV 1
ASSI { 1139}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 83 and name HB3 ))
6.000 5.000 0.000 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.805 ppm2 2.134 CV 1
ASSI { 1140}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 82 and name HG1%)
6.000 5.000 0.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.225 ppm2 0.740 CV 1
ASSI { 1141}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 82 and name HG2%)
6.000 5.000 0.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.224 ppm2 0.783 CV 1
ASSI { 1142}
(( segid " " and resid 106 and name HN ))
( segid " " and resid 106 and name HG2%)
6.000 5.000 0.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.711 ppm2 0.900 CV 1
ASSI { 1143}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 51 and name HN ))
6.000 5.000 0.000 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.622 ppm2 8.361 CV 1
ASSI { 1144}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HN ))
3.200 1.700 1.700 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 9.045 ppm2 7.958 CV 1
ASSI { 1146}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 92 and name HN ))
4.600 3.100 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.17684E-03 ppm1 9.692 ppm2 8.749 CV 1
ASSI { 1148}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 86 and name HN ))
3.900 2.400 2.100 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.46485E-03 ppm1 7.386 ppm2 9.225 CV 1
ASSI { 1149}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HD3 ))
3.600 2.100 2.100 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 7.387 ppm2 3.569 CV 1
ASSI { 1150}
(( segid " " and resid 42 and name HD21))
(( segid " " and resid 38 and name HA ))
6.000 5.000 0.000 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.536 ppm2 4.095 CV 1
ASSI { 1151}
(( segid " " and resid 105 and name HN ))
(( segid " " and resid 60 and name HB2 ))
6.000 5.200 0.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.30231E-04 ppm1 8.622 ppm2 3.891 CV 1
ASSI { 1152}
(( segid " " and resid 104 and name HD22))
(( segid " " and resid 60 and name HB2 ))
6.000 5.000 0.000 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.879 ppm2 3.884 CV 1
ASSI { 1153}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 48 and name HA ))
6.000 5.000 0.000 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.906 ppm2 3.896 CV 1
ASSI { 1154}
(( segid " " and resid 110 and name HD21))
(( segid " " and resid 109 and name HN ))
6.000 5.000 0.000 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.601 ppm2 8.396 CV 1
ASSI { 1155}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 87 and name HB2 ))
3.600 2.100 2.100 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.74115E-03 ppm1 7.669 ppm2 2.351 CV 1
ASSI { 1156}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 48 and name HB2 ))
6.000 5.000 0.000 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.696 ppm2 4.000 CV 1
OR { 1156}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 48 and name HB3 ))
ASSI { 1157}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 41 and name HA ))
6.000 5.000 0.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.698 ppm2 3.918 CV 1
ASSI { 1159}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 22 and name HB% )
3.800 2.300 2.200 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.52076E-03 ppm1 7.402 ppm2 1.019 CV 1
ASSI { 1160}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HA ))
6.000 5.000 0.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.193 ppm2 4.388 CV 1
ASSI { 1161}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HA ))
6.000 5.000 0.000 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.682 ppm2 4.280 CV 1
ASSI { 1162}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 48 and name HB3 ))
6.000 5.000 0.000 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.488 ppm2 4.004 CV 1
OR { 1162}
(( segid " " and resid 43 and name HN ))
(( segid " " and resid 48 and name HB2 ))
ASSI { 1163}
(( segid " " and resid 93 and name HD22))
(( segid " " and resid 92 and name HD2 ))
6.000 5.000 0.000 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.159 ppm2 1.623 CV 1
ASSI { 1164}
(( segid " " and resid 21 and name HE21))
(( segid " " and resid 21 and name HG2 ))
3.600 2.100 2.100 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.76065E-03 ppm1 7.399 ppm2 2.508 CV 1
ASSI { 1165}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 2.832 CV 1
ASSI { 1166}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 98 and name HB3 ))
6.000 5.000 0.000 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.233 ppm2 2.770 CV 1
ASSI { 1167}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 82 and name HG1%)
2.900 1.600 1.600 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.25356E-02 ppm1 8.716 ppm2 0.734 CV 1
ASSI { 1168}
(( segid " " and resid 107 and name HN ))
( segid " " and resid 108 and name HG1%)
6.000 5.000 0.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.886 ppm2 0.907 CV 1
ASSI { 1169}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HN ))
3.500 2.000 2.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.85168E-03 ppm1 7.665 ppm2 8.690 CV 1
ASSI { 1170}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 11 and name HB2 ))
6.000 5.000 0.000 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.446 ppm2 1.863 CV 1
ASSI { 1171}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 11 and name HD2 ))
6.000 5.000 0.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.447 ppm2 1.636 CV 1
ASSI { 1172}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 11 and name HA ))
6.000 5.000 0.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 4.278 CV 1
ASSI { 1173}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 15 and name HB3 ))
6.000 5.000 0.000 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.136 ppm2 4.194 CV 1
ASSI { 1174}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 62 and name HN ))
6.000 5.000 0.000 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.044 ppm2 7.892 CV 1
ASSI { 1175}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 75 and name HB3 ))
6.000 5.000 0.000 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.007 ppm2 2.072 CV 1
ASSI { 1176}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 83 and name HB3 ))
6.000 5.000 0.000 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.223 ppm2 2.141 CV 1
ASSI { 1177}
(( segid " " and resid 81 and name HN ))
( segid " " and resid 80 and name HB% )
6.000 5.000 0.000 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.489 ppm2 1.389 CV 1
ASSI { 1178}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 104 and name HB2 ))
6.000 5.000 0.000 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.043 ppm2 2.599 CV 1
OR { 1178}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 104 and name HB3 ))
ASSI { 1179}
(( segid " " and resid 110 and name HD22))
(( segid " " and resid 110 and name HA ))
6.000 5.000 0.000 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.869 ppm2 4.688 CV 1
ASSI { 1181}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HD3 ))
6.000 5.000 0.000 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.191 ppm2 1.562 CV 1
ASSI { 1182}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 83 and name HB3 ))
6.000 5.000 0.000 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.196 ppm2 2.129 CV 1
ASSI { 1183}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 83 and name HB2 ))
6.000 5.000 0.000 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 9.194 ppm2 2.455 CV 1
ASSI { 1184}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 82 and name HA ))
6.000 5.000 0.000 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.224 ppm2 5.070 CV 1
ASSI { 1185}
(( segid " " and resid 72 and name HN ))
( segid " " and resid 73 and name HG2%)
6.000 5.000 0.000 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.009 ppm2 0.715 CV 1
ASSI { 1187}
(( segid " " and resid 21 and name HE22))
(( segid " " and resid 90 and name HB ))
6.000 5.000 0.000 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 6.577 ppm2 2.209 CV 1
ASSI { 1188}
(( segid " " and resid 103 and name HN ))
(( segid " " and resid 102 and name HA ))
6.000 5.000 0.000 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.108 ppm2 4.672 CV 1
ASSI { 1189}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 56 and name HA ))
6.000 5.000 0.000 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.693 ppm2 4.698 CV 1
ASSI { 1190}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 36 and name HN ))
6.000 5.000 0.000 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.697 ppm2 8.359 CV 1
ASSI { 1191}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 67 and name HN ))
6.000 5.000 0.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.199 ppm2 8.692 CV 1
ASSI { 1193}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 100 and name HB2 ))
6.000 5.000 0.000 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.695 ppm2 1.973 CV 1
OR { 1193}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 100 and name HB3 ))
ASSI { 1194}
(( segid " " and resid 102 and name HN ))
(( segid " " and resid 99 and name HB3 ))
6.000 5.000 0.000 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.693 ppm2 1.953 CV 1
ASSI { 1195}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
6.000 5.000 0.000 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.521 ppm2 4.420 CV 1
ASSI { 1196}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
6.000 5.000 0.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.518 ppm2 2.298 CV 1
ASSI { 1197}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB3 ))
6.000 5.000 0.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.516 ppm2 1.911 CV 1
ASSI { 1198}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HD2 ))
6.000 5.000 0.000 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.518 ppm2 3.860 CV 1
ASSI { 1199}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HD3 ))
6.000 5.000 0.000 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.518 ppm2 3.617 CV 1
ASSI { 1200}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG3 ))
6.000 5.000 0.000 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.517 ppm2 2.013 CV 1
OR { 1200}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HG2 ))
ASSI { 1201}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HN ))
6.000 5.000 0.000 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.236 ppm2 8.525 CV 1
ASSI { 1202}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
6.000 5.000 0.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.518 ppm2 4.242 CV 1
ASSI { 1203}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
6.000 5.000 0.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 4.264 CV 1
ASSI { 1204}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HB% )
6.000 5.000 0.000 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.515 ppm2 1.411 CV 1
ASSI { 1205}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HB% )
6.000 5.000 0.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 1.413 CV 1
ASSI { 1207}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
6.000 5.000 0.000 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 4.348 CV 1
ASSI { 1208}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HA ))
6.000 5.000 0.000 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.174 ppm2 4.347 CV 1
ASSI { 1209}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
6.000 5.000 0.000 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 3.923 CV 1
ASSI { 1210}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB2 ))
6.000 5.000 0.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.172 ppm2 3.933 CV 1
ASSI { 1211}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB3 ))
6.000 5.000 0.000 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.234 ppm2 3.863 CV 1
ASSI { 1212}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 5 and name HB3 ))
6.000 5.000 0.000 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.174 ppm2 3.862 CV 1
ASSI { 1213}
(( segid " " and resid 6 and name HN ))
(( segid " " and resid 6 and name HA ))
6.000 5.000 0.000 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.177 ppm2 4.299 CV 1
ASSI { 1214}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
6.000 5.000 0.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.093 ppm2 4.317 CV 1
ASSI { 1215}
(( segid " " and resid 6 and name HN ))
( segid " " and resid 6 and name HB% )
6.000 5.000 0.000 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.173 ppm2 1.388 CV 1
ASSI { 1216}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 6 and name HB% )
6.000 5.000 0.000 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.093 ppm2 1.401 CV 1
ASSI { 1217}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA ))
6.000 5.000 0.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.090 ppm2 4.214 CV 1
ASSI { 1218}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
6.000 5.000 0.000 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.148 ppm2 4.224 CV 1
ASSI { 1219}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 7 and name HB% )
6.000 5.000 0.000 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.090 ppm2 1.356 CV 1
ASSI { 1220}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 7 and name HB% )
6.000 5.000 0.000 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.148 ppm2 1.366 CV 1
ASSI { 1221}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
6.000 5.000 0.000 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 4.144 CV 1
ASSI { 1222}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB3 ))
6.000 5.000 0.000 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 3.901 CV 1
ASSI { 1223}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB2 ))
6.000 5.000 0.000 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 1.558 CV 1
ASSI { 1224}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HG ))
6.000 5.000 0.000 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 1.674 CV 1
ASSI { 1225}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
6.000 5.000 0.000 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.684 ppm2 4.773 CV 1
ASSI { 1226}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HG2%)
6.000 5.000 0.000 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.720 ppm2 1.126 CV 1
ASSI { 1227}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 25 and name HG2%)
6.000 5.000 0.000 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.490 ppm2 1.122 CV 1
ASSI { 1228}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
6.000 5.000 0.000 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.720 ppm2 4.642 CV 1
ASSI { 1229}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB ))
6.000 5.000 0.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.720 ppm2 4.199 CV 1
ASSI { 1230}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 95 and name HG2%)
6.000 5.000 0.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.718 ppm2 0.924 CV 1
ASSI { 1231}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HG2 ))
6.000 5.000 0.000 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.719 ppm2 2.434 CV 1
ASSI { 1232}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HN ))
6.000 5.000 0.000 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.720 ppm2 8.476 CV 1
ASSI { 1233}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HN ))
6.000 5.000 0.000 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.725 ppm2 7.437 CV 1
ASSI { 1234}
(( segid " " and resid 28 and name HD22))
(( segid " " and resid 28 and name HD21))
6.000 5.000 0.000 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.099 ppm2 7.773 CV 1
ASSI { 1235}
(( segid " " and resid 28 and name HD21))
(( segid " " and resid 28 and name HA ))
6.000 5.000 0.000 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.785 ppm2 4.583 CV 1
ASSI { 1236}
(( segid " " and resid 28 and name HD22))
(( segid " " and resid 28 and name HA ))
6.000 5.000 0.000 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.099 ppm2 4.586 CV 1
ASSI { 1237}
(( segid " " and resid 28 and name HD21))
(( segid " " and resid 28 and name HN ))
6.000 5.000 0.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.785 ppm2 8.621 CV 1
ASSI { 1238}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HG ))
6.000 5.000 0.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.348 ppm2 1.713 CV 1
ASSI { 1239}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA2 ))
6.000 5.000 0.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.490 ppm2 3.934 CV 1
ASSI { 1240}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
6.000 5.000 0.000 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.149 ppm2 1.392 CV 1
ASSI { 1241}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG3 ))
6.000 5.000 0.000 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.147 ppm2 1.316 CV 1
ASSI { 1242}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
6.000 5.000 0.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.636 ppm2 4.591 CV 1
ASSI { 1243}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
6.000 5.000 0.000 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.636 ppm2 2.826 CV 1
ASSI { 1245}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 32 and name HN ))
6.000 5.000 0.000 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.638 ppm2 8.249 CV 1
ASSI { 1246}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 31 and name HB2 ))
6.000 5.000 0.000 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.637 ppm2 4.003 CV 1
OR { 1246}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 31 and name HB3 ))
ASSI { 1247}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 32 and name HG2%)
6.000 5.000 0.000 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 0.998 CV 1
ASSI { 1248}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 32 and name HG13))
6.000 5.000 0.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 1.197 CV 1
ASSI { 1249}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 32 and name HD1%)
6.000 5.000 0.000 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.635 ppm2 0.730 CV 1
ASSI { 1250}
(( segid " " and resid 55 and name HN ))
(( segid " " and resid 53 and name HN ))
6.000 5.000 0.000 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.917 ppm2 7.613 CV 1
ASSI { 1252}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
6.000 5.000 0.000 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.713 ppm2 5.052 CV 1
ASSI { 1253}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG3 ))
6.000 5.000 0.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.494 ppm2 2.329 CV 1
ASSI { 1254}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG2 ))
6.000 5.000 0.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.494 ppm2 2.440 CV 1
ASSI { 1255}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB3 ))
6.000 5.000 0.000 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.721 ppm2 2.036 CV 1
ASSI { 1256}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB2 ))
6.000 5.000 0.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 7.719 ppm2 2.173 CV 1
ASSI { 1259}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 51 and name HD2%)
6.000 5.000 0.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.691 ppm2 0.848 CV 1
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