NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
602523 |
2n4o   |
17978 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 499}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HD2 ))
2.700 2.400 2.400 peak 499 spectrum 1 weight 0.10000E+01 volume 0.17760E-02 ppm1 8.180 ppm2 3.572 CV 1
OR { 499}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HD3 ))
ASSI { 585}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 60 and name HA ))
2.700 2.400 2.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 7.256 ppm2 3.811 CV 1
OR { 585}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HA ))
ASSI { 586}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 60 and name HA ))
3.200 2.800 2.800 peak 586 spectrum 1 weight 0.10000E+01 volume 0.57867E-03 ppm1 7.345 ppm2 3.811 CV 1
OR { 586}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 13 and name HB3 ))
OR { 586}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HA ))
ASSI { 669}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 25 and name HG2%)
3.200 2.700 2.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 8.009 ppm2 0.806 CV 1
OR { 669}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 94 and name HD2%)
ASSI { 703}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 64 and name HD2%)
3.000 2.600 2.600 peak 703 spectrum 1 weight 0.10000E+01 volume 0.89741E-03 ppm1 7.838 ppm2 0.797 CV 1
OR { 703}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 3 and name HD1%)
ASSI { 710}
(( segid " " and resid 16 and name HE21))
( segid " " and resid 60 and name HG2%)
4.000 3.500 2.000 peak 710 spectrum 1 weight 0.10000E+01 volume 0.14114E-03 ppm1 7.383 ppm2 1.133 CV 1
OR { 710}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 54 and name HG13))
ASSI { 725}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 25 and name HG1%)
3.000 2.600 2.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.93506E-03 ppm1 8.472 ppm2 0.851 CV 1
OR { 725}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 12 and name HG2%)
ASSI { 749}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 3 and name HA ))
4.000 3.500 2.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.16113E-03 ppm1 6.967 ppm2 4.377 CV 1
OR { 749}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 66 and name HA ))
ASSI { 752}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 3 and name HA ))
4.800 4.400 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.49869E-04 ppm1 6.725 ppm2 4.377 CV 1
OR { 752}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 66 and name HA ))
ASSI { 783}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 42 and name HG2%)
4.100 3.600 1.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.12585E-03 ppm1 8.610 ppm2 0.718 CV 1
OR { 783}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 33 and name HD2%)
ASSI { 812}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 88 and name HG2%)
4.900 4.500 1.100 peak 812 spectrum 1 weight 0.10000E+01 volume 0.44694E-04 ppm1 8.290 ppm2 0.707 CV 1
OR { 812}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 24 and name HG2%)
ASSI { 822}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 93 and name HD1%)
5.000 4.700 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.38578E-04 ppm1 8.937 ppm2 0.749 CV 1
OR { 822}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 54 and name HG2%)
ASSI { 827}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 73 and name HB2 ))
4.400 3.900 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.87623E-04 ppm1 7.937 ppm2 2.873 CV 1
OR { 827}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 835}
(( segid " " and resid 53 and name HD22))
( segid " " and resid 24 and name HG1%)
2.600 2.400 2.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.19053E-02 ppm1 6.858 ppm2 0.679 CV 1
OR { 835}
(( segid " " and resid 53 and name HD22))
( segid " " and resid 88 and name HD1%)
ASSI { 841}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 75 and name HB ))
3.900 3.400 2.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.18936E-03 ppm1 8.937 ppm2 2.043 CV 1
OR { 841}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 92 and name HG3 ))
ASSI { 845}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 93 and name HB ))
3.700 3.300 2.300 peak 845 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 8.423 ppm2 1.576 CV 1
OR { 845}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 94 and name HB3 ))
OR { 845}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 59 and name HG ))
ASSI { 847}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 74 and name HG2%)
4.000 3.500 2.000 peak 847 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 8.937 ppm2 0.977 CV 1
OR { 847}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 93 and name HG13))
ASSI { 848}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 93 and name HG12))
5.000 4.600 1.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.41283E-04 ppm1 8.937 ppm2 1.410 CV 1
OR { 848}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 44 and name HG12))
ASSI { 850}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 23 and name HB3 ))
5.900 5.800 0.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.15172E-04 ppm1 8.786 ppm2 1.494 CV 1
OR { 850}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 54 and name HB ))
ASSI { 853}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 53 and name HD21))
4.400 3.900 1.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.88093E-04 ppm1 8.786 ppm2 7.381 CV 1
OR { 853}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 16 and name HE21))
ASSI { 858}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 75 and name HG2%)
3.900 3.400 2.100 peak 858 spectrum 1 weight 0.10000E+01 volume 0.18348E-03 ppm1 8.423 ppm2 0.890 CV 1
OR { 858}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 67 and name HD1%)
ASSI { 892}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HG3 ))
4.800 4.400 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.49045E-04 ppm1 7.408 ppm2 2.350 CV 1
OR { 892}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 12 and name HB ))
ASSI { 896}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 11 and name HB3 ))
4.600 4.100 1.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.67155E-04 ppm1 7.408 ppm2 4.229 CV 1
OR { 896}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 67 and name HA ))
ASSI { 897}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 62 and name HB3 ))
5.900 5.900 0.100 peak 897 spectrum 1 weight 0.10000E+01 volume 0.13996E-04 ppm1 8.150 ppm2 2.395 CV 1
OR { 897}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 63 and name HG2 ))
ASSI { 902}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 61 and name HG2%)
2.900 2.500 2.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.10515E-02 ppm1 8.150 ppm2 0.837 CV 1
OR { 902}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 56 and name HG2%)
ASSI { 903}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 56 and name HG2%)
3.500 3.000 2.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.32932E-03 ppm1 7.420 ppm2 0.837 CV 1
OR { 903}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 12 and name HG2%)
ASSI { 942}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.600 3.100 2.400 peak 942 spectrum 1 weight 0.10000E+01 volume 0.27287E-03 ppm1 8.180 ppm2 2.221 CV 1
OR { 942}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HB2 ))
ASSI { 950}
(( segid " " and resid 16 and name HE21))
(( segid " " and resid 59 and name HB2 ))
3.900 3.400 2.100 peak 950 spectrum 1 weight 0.10000E+01 volume 0.16936E-03 ppm1 7.379 ppm2 1.775 CV 1
OR { 950}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 44 and name HB ))
ASSI { 955}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 16 and name HG3 ))
4.700 4.200 1.300 peak 955 spectrum 1 weight 0.10000E+01 volume 0.60336E-04 ppm1 7.791 ppm2 2.133 CV 1
OR { 955}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 17 and name HB3 ))
ASSI { 963}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 65 and name HG12))
4.300 3.800 1.700 peak 963 spectrum 1 weight 0.10000E+01 volume 0.10280E-03 ppm1 7.337 ppm2 1.595 CV 1
OR { 963}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 64 and name HG ))
ASSI { 966}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 94 and name HB3 ))
4.200 3.700 1.800 peak 966 spectrum 1 weight 0.10000E+01 volume 0.11197E-03 ppm1 9.383 ppm2 1.580 CV 1
OR { 966}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 93 and name HB ))
ASSI { 179}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 63 and name HG2 ))
5.800 5.700 0.200 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22649E-03 ppm1 3.827 ppm2 2.405 CV 1
OR { 179}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 180}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 63 and name HG2 ))
4.400 3.900 1.600 peak 180 spectrum 1 weight 0.10000E+01 volume 0.10799E-02 ppm1 3.738 ppm2 2.405 CV 1
OR { 180}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 16 and name HG2 ))
ASSI { 187}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HE3 ))
2.000 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.27786E-01 ppm1 1.607 ppm2 2.906 CV 1
OR { 187}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HE2 ))
OR { 187}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HE3 ))
OR { 187}
(( segid " " and resid 18 and name HD2 ))
(( segid " " and resid 18 and name HE2 ))
OR { 187}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 31 and name HE2 ))
OR { 187}
(( segid " " and resid 31 and name HD3 ))
(( segid " " and resid 31 and name HE3 ))
OR { 187}
(( segid " " and resid 18 and name HD3 ))
(( segid " " and resid 18 and name HE2 ))
ASSI { 213}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 73 and name HB2 ))
4.400 3.900 1.600 peak 213 spectrum 1 weight 0.10000E+01 volume 0.68590E-03 ppm1 5.178 ppm2 2.885 CV 1
OR { 213}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 215}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 93 and name HD1%)
5.800 5.700 0.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.18621E-03 ppm1 5.178 ppm2 0.744 CV 1
OR { 215}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 54 and name HG2%)
ASSI { 221}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 33 and name HD2%)
4.300 3.800 1.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.79679E-03 ppm1 2.881 ppm2 0.721 CV 1
OR { 221}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 54 and name HD1%)
ASSI { 222}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 33 and name HD2%)
3.600 3.100 2.400 peak 222 spectrum 1 weight 0.10000E+01 volume 0.14389E-02 ppm1 2.458 ppm2 0.721 CV 1
OR { 222}
(( segid " " and resid 28 and name HB3 ))
( segid " " and resid 54 and name HD1%)
ASSI { 227}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 33 and name HB2 ))
4.100 3.600 1.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 3.390 ppm2 1.376 CV 1
OR { 227}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HG2 ))
OR { 227}
(( segid " " and resid 30 and name HB3 ))
(( segid " " and resid 31 and name HG3 ))
ASSI { 258}
(( segid " " and resid 53 and name HB3 ))
( segid " " and resid 24 and name HG2%)
3.600 3.100 2.400 peak 258 spectrum 1 weight 0.10000E+01 volume 0.37651E-02 ppm1 2.557 ppm2 0.712 CV 1
OR { 258}
(( segid " " and resid 53 and name HB3 ))
( segid " " and resid 54 and name HD1%)
ASSI { 259}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 24 and name HG2%)
4.000 3.500 2.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.22882E-02 ppm1 2.592 ppm2 0.712 CV 1
OR { 259}
(( segid " " and resid 53 and name HB2 ))
( segid " " and resid 54 and name HD1%)
ASSI { 265}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 62 and name HB3 ))
4.700 4.300 1.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.49033E-03 ppm1 3.699 ppm2 2.396 CV 1
OR { 265}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 63 and name HG2 ))
ASSI { 266}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 12 and name HG2%)
3.000 2.600 2.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.54287E-02 ppm1 3.699 ppm2 0.839 CV 1
OR { 266}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 56 and name HG2%)
ASSI { 276}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 56 and name HD1%)
4.700 4.300 1.300 peak 276 spectrum 1 weight 0.10000E+01 volume 0.12492E-03 ppm1 3.815 ppm2 0.804 CV 1
OR { 276}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 64 and name HD2%)
ASSI { 280}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 65 and name HG12))
4.400 3.900 1.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.71509E-03 ppm1 5.103 ppm2 1.583 CV 1
OR { 280}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 64 and name HG ))
ASSI { 282}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 3 and name HD1%)
4.000 3.500 2.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.10273E-02 ppm1 5.103 ppm2 0.788 CV 1
OR { 282}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 65 and name HD1%)
OR { 282}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 61 and name HD1%)
ASSI { 285}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 65 and name HD1%)
5.800 5.700 0.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.29770E-04 ppm1 2.392 ppm2 0.793 CV 1
OR { 285}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 61 and name HD1%)
ASSI { 287}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 64 and name HD1%)
4.000 3.500 2.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.21131E-02 ppm1 3.803 ppm2 0.869 CV 1
OR { 287}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 3 and name HG2%)
ASSI { 294}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 63 and name HA ))
5.000 4.600 1.000 peak 294 spectrum 1 weight 0.10000E+01 volume 0.26589E-03 ppm1 2.209 ppm2 3.815 CV 1
OR { 294}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 4 and name HD2 ))
ASSI { 314}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 12 and name HA ))
3.800 3.300 2.200 peak 314 spectrum 1 weight 0.10000E+01 volume 0.11033E-02 ppm1 4.225 ppm2 3.495 CV 1
OR { 314}
(( segid " " and resid 67 and name HA ))
(( segid " " and resid 66 and name HD2 ))
ASSI { 316}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 10 and name HG3 ))
2.900 2.500 2.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.25217E-02 ppm1 0.934 ppm2 1.846 CV 1
OR { 316}
( segid " " and resid 67 and name HG2%)
(( segid " " and resid 69 and name HB2 ))
ASSI { 328}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 75 and name HB ))
4.800 4.400 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.57789E-03 ppm1 5.233 ppm2 2.041 CV 1
OR { 328}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 92 and name HG3 ))
OR { 328}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 92 and name HG2 ))
ASSI { 334}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 27 and name HB3 ))
3.900 3.400 2.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.18767E-03 ppm1 3.280 ppm2 2.638 CV 1
OR { 334}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 29 and name HB3 ))
ASSI { 342}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 88 and name HD1%)
3.100 2.700 2.700 peak 342 spectrum 1 weight 0.10000E+01 volume 0.48742E-02 ppm1 2.946 ppm2 0.699 CV 1
OR { 342}
(( segid " " and resid 78 and name HB2 ))
( segid " " and resid 24 and name HG2%)
ASSI { 343}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 88 and name HD1%)
2.900 2.600 2.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.31521E-02 ppm1 2.739 ppm2 0.697 CV 1
OR { 343}
(( segid " " and resid 78 and name HB3 ))
( segid " " and resid 24 and name HG2%)
ASSI { 347}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 85 and name HD2%)
6.000 6.000 0.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.48742E-04 ppm1 4.456 ppm2 0.836 CV 1
OR { 347}
(( segid " " and resid 79 and name HA ))
( segid " " and resid 44 and name HD1%)
ASSI { 354}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 36 and name HB3 ))
4.200 3.700 1.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.11179E-03 ppm1 0.713 ppm2 3.830 CV 1
OR { 354}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 38 and name HB2 ))
ASSI { 362}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 44 and name HG12))
4.500 4.000 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.15586E-03 ppm1 2.613 ppm2 1.410 CV 1
OR { 362}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 93 and name HG12))
ASSI { 378}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 90 and name HB3 ))
5.500 5.300 0.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.24283E-03 ppm1 0.706 ppm2 2.613 CV 1
OR { 378}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 77 and name HB3 ))
ASSI { 379}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 88 and name HD1%)
3.800 3.300 2.200 peak 379 spectrum 1 weight 0.10000E+01 volume 0.21102E-03 ppm1 5.834 ppm2 0.681 CV 1
OR { 379}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 24 and name HG1%)
ASSI { 381}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 24 and name HG1%)
3.700 3.200 2.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 5.884 ppm2 0.681 CV 1
OR { 381}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 88 and name HD1%)
ASSI { 382}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 88 and name HD1%)
4.100 3.600 1.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.13484E-02 ppm1 5.884 ppm2 0.707 CV 1
OR { 382}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 88 and name HG2%)
OR { 382}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 42 and name HG2%)
ASSI { 383}
(( segid " " and resid 90 and name HB3 ))
( segid " " and resid 88 and name HD1%)
3.200 2.800 2.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.61000E-03 ppm1 2.613 ppm2 0.693 CV 1
OR { 383}
(( segid " " and resid 90 and name HB3 ))
( segid " " and resid 24 and name HG2%)
ASSI { 401}
(( segid " " and resid 76 and name HB3 ))
( segid " " and resid 74 and name HG2%)
6.000 6.000 0.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.93399E-04 ppm1 3.280 ppm2 0.978 CV 1
OR { 401}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 93 and name HG13))
ASSI { 402}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 93 and name HG13))
6.000 6.000 0.000 peak 402 spectrum 1 weight 0.10000E+01 volume 0.17424E-04 ppm1 3.395 ppm2 0.978 CV 1
OR { 402}
(( segid " " and resid 76 and name HB2 ))
( segid " " and resid 74 and name HG2%)
ASSI { 405}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HB2 ))
6.000 6.000 0.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.32397E-04 ppm1 3.510 ppm2 3.738 CV 1
OR { 405}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 16 and name HA ))
ASSI { 411}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 67 and name HA ))
4.600 4.200 1.400 peak 411 spectrum 1 weight 0.10000E+01 volume 0.60124E-03 ppm1 3.510 ppm2 4.227 CV 1
OR { 411}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 11 and name HB3 ))
ASSI { 412}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 67 and name HB ))
3.200 2.800 2.800 peak 412 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 1.054 ppm2 1.562 CV 1
OR { 412}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 59 and name HG ))
OR { 412}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 67 and name HG12))
ASSI { 414}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 67 and name HA ))
3.100 2.700 2.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.38526E-02 ppm1 1.054 ppm2 4.226 CV 1
OR { 414}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 11 and name HB3 ))
ASSI { 426}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 65 and name HD1%)
3.800 3.400 2.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.19351E-02 ppm1 3.803 ppm2 0.796 CV 1
OR { 426}
(( segid " " and resid 63 and name HA ))
( segid " " and resid 64 and name HD2%)
ASSI { 439}
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 65 and name HD1%)
6.000 6.000 0.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.77637E-04 ppm1 2.928 ppm2 0.790 CV 1
OR { 439}
(( segid " " and resid 62 and name HB2 ))
( segid " " and resid 61 and name HD1%)
ASSI { 452}
(( segid " " and resid 4 and name HD3 ))
( segid " " and resid 65 and name HD1%)
4.000 3.500 2.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.59249E-03 ppm1 3.597 ppm2 0.788 CV 1
OR { 452}
(( segid " " and resid 4 and name HD3 ))
( segid " " and resid 3 and name HD1%)
ASSI { 469}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 73 and name HB2 ))
3.100 2.700 2.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.79391E-02 ppm1 4.805 ppm2 2.886 CV 1
OR { 469}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 28 and name HB2 ))
ASSI { 470}
( segid " " and resid 2 and name HB% )
( segid " " and resid 3 and name HD1%)
6.000 6.000 0.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.52244E-04 ppm1 1.295 ppm2 0.787 CV 1
OR { 470}
( segid " " and resid 2 and name HB% )
( segid " " and resid 65 and name HD1%)
ASSI { 493}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 33 and name HB2 ))
2.800 2.400 2.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.19205E-02 ppm1 0.975 ppm2 1.371 CV 1
OR { 493}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 34 and name HG3 ))
OR { 493}
( segid " " and resid 74 and name HG2%)
( segid " " and resid 15 and name HB% )
ASSI { 1}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HB2 ))
2.800 2.500 2.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.715 ppm2 2.522 CV 1
ASSI { 2}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HA ))
2.400 2.200 2.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.31168E-02 ppm1 9.107 ppm2 5.061 CV 1
ASSI { 3}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB3 ))
3.100 2.700 2.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.65984E-03 ppm1 8.180 ppm2 2.074 CV 1
ASSI { 4}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG2 ))
4.300 3.900 1.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.92560E-04 ppm1 8.180 ppm2 2.246 CV 1
OR { 4}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 5}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
2.200 2.100 2.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.48457E-02 ppm1 8.180 ppm2 4.330 CV 1
ASSI { 6}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA1 ))
2.400 2.200 2.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.28815E-02 ppm1 8.122 ppm2 3.847 CV 1
ASSI { 7}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HB% )
2.300 2.200 2.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.38107E-02 ppm1 8.633 ppm2 1.353 CV 1
ASSI { 8}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
2.200 2.100 2.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.61159E-02 ppm1 8.632 ppm2 4.101 CV 1
ASSI { 9}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HA ))
2.700 2.400 2.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.16466E-02 ppm1 7.376 ppm2 3.995 CV 1
ASSI { 10}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HA ))
2.600 2.300 2.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.19877E-02 ppm1 8.271 ppm2 4.929 CV 1
ASSI { 11}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.100 2.100 2.100 peak 11 spectrum 1 weight 0.10000E+01 volume 0.66804E-02 ppm1 8.270 ppm2 2.880 CV 1
ASSI { 12}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HB3 ))
2.300 2.200 2.200 peak 12 spectrum 1 weight 0.10000E+01 volume 0.42694E-02 ppm1 8.268 ppm2 2.139 CV 1
ASSI { 13}
(( segid " " and resid 41 and name HN ))
( segid " " and resid 40 and name HB% )
2.900 2.600 2.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.96795E-03 ppm1 8.460 ppm2 1.308 CV 1
ASSI { 14}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 40 and name HA ))
2.300 2.200 2.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.37519E-02 ppm1 8.460 ppm2 4.218 CV 1
ASSI { 15}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.900 2.500 2.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11362E-02 ppm1 7.603 ppm2 1.377 CV 1
ASSI { 16}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 43 and name HA ))
2.900 2.500 2.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.10468E-02 ppm1 8.093 ppm2 4.347 CV 1
ASSI { 17}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 44 and name HA ))
4.600 4.200 1.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.62218E-04 ppm1 8.364 ppm2 4.054 CV 1
ASSI { 18}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB3 ))
3.000 2.600 2.600 peak 18 spectrum 1 weight 0.10000E+01 volume 0.83626E-03 ppm1 8.610 ppm2 2.609 CV 1
ASSI { 19}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 90 and name HB2 ))
3.500 3.000 2.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.33049E-03 ppm1 8.610 ppm2 2.829 CV 1
ASSI { 20}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HB ))
5.300 5.000 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.28110E-04 ppm1 8.068 ppm2 1.840 CV 1
ASSI { 21}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 88 and name HG2%)
3.100 2.700 2.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.73276E-03 ppm1 8.068 ppm2 0.711 CV 1
ASSI { 22}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HG2 ))
3.000 2.600 2.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.89741E-03 ppm1 9.110 ppm2 2.189 CV 1
ASSI { 23}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HB2 ))
3.900 3.400 2.100 peak 23 spectrum 1 weight 0.10000E+01 volume 0.18583E-03 ppm1 9.110 ppm2 1.885 CV 1
ASSI { 24}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HB3 ))
3.300 2.900 2.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.44929E-03 ppm1 9.109 ppm2 1.712 CV 1
ASSI { 25}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB3 ))
4.500 4.000 1.500 peak 25 spectrum 1 weight 0.10000E+01 volume 0.79153E-04 ppm1 8.177 ppm2 1.837 CV 1
ASSI { 26}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HB2 ))
3.100 2.700 2.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.73276E-03 ppm1 8.177 ppm2 2.031 CV 1
ASSI { 27}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HG2 ))
3.700 3.200 2.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25170E-03 ppm1 8.177 ppm2 2.269 CV 1
OR { 27}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HG3 ))
ASSI { 28}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 82 and name HA ))
2.300 2.100 2.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.46222E-02 ppm1 8.176 ppm2 4.414 CV 1
ASSI { 29}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB2 ))
2.800 2.500 2.500 peak 29 spectrum 1 weight 0.10000E+01 volume 0.11573E-02 ppm1 8.810 ppm2 2.946 CV 1
ASSI { 30}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.100 2.700 2.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.70331E-03 ppm1 8.810 ppm2 2.736 CV 1
ASSI { 31}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HA ))
2.300 2.200 2.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.38225E-02 ppm1 9.118 ppm2 4.327 CV 1
ASSI { 32}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HB ))
3.500 3.100 2.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.31403E-03 ppm1 9.118 ppm2 2.030 CV 1
ASSI { 33}
(( segid " " and resid 49 and name HN ))
(( segid " " and resid 48 and name HB2 ))
4.300 3.800 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.99151E-04 ppm1 7.893 ppm2 3.789 CV 1
ASSI { 34}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA1 ))
2.500 2.300 2.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 7.937 ppm2 3.928 CV 1
OR { 34}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 49 and name HA2 ))
ASSI { 35}
(( segid " " and resid 47 and name HN ))
(( segid " " and resid 46 and name HA ))
4.300 3.800 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.96682E-04 ppm1 8.210 ppm2 4.013 CV 1
ASSI { 36}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA ))
2.500 2.300 2.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.26816E-02 ppm1 8.988 ppm2 4.562 CV 1
ASSI { 37}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB2 ))
3.200 2.800 2.800 peak 37 spectrum 1 weight 0.10000E+01 volume 0.52809E-03 ppm1 8.507 ppm2 3.872 CV 1
ASSI { 38}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HA ))
2.800 2.500 2.500 peak 38 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 7.713 ppm2 3.977 CV 1
ASSI { 39}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HE3 ))
3.200 2.800 2.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.57749E-03 ppm1 7.713 ppm2 2.888 CV 1
OR { 39}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HE2 ))
ASSI { 40}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HA ))
4.100 3.600 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.12820E-03 ppm1 8.513 ppm2 3.946 CV 1
ASSI { 41}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB2 ))
3.000 2.600 2.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.87974E-03 ppm1 8.513 ppm2 1.782 CV 1
ASSI { 42}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB3 ))
3.100 2.700 2.700 peak 42 spectrum 1 weight 0.10000E+01 volume 0.69041E-03 ppm1 7.910 ppm2 2.118 CV 1
OR { 42}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 43}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
4.500 4.000 1.500 peak 43 spectrum 1 weight 0.10000E+01 volume 0.73746E-04 ppm1 7.911 ppm2 2.301 CV 1
ASSI { 44}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG3 ))
4.200 3.800 1.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10585E-03 ppm1 7.910 ppm2 2.464 CV 1
ASSI { 45}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.600 3.100 2.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.29286E-03 ppm1 7.911 ppm2 3.927 CV 1
ASSI { 46}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.100 2.700 2.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.70801E-03 ppm1 8.423 ppm2 4.131 CV 1
ASSI { 47}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG3 ))
4.200 3.700 1.800 peak 47 spectrum 1 weight 0.10000E+01 volume 0.11761E-03 ppm1 8.423 ppm2 2.543 CV 1
ASSI { 48}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.600 2.400 2.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.19289E-02 ppm1 8.422 ppm2 2.145 CV 1
ASSI { 49}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 45 and name HA ))
4.500 4.100 1.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.72687E-04 ppm1 8.034 ppm2 4.655 CV 1
ASSI { 50}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB3 ))
3.600 3.100 2.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29404E-03 ppm1 8.534 ppm2 1.877 CV 1
ASSI { 51}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.400 3.000 2.600 peak 51 spectrum 1 weight 0.10000E+01 volume 0.38695E-03 ppm1 8.535 ppm2 2.191 CV 1
ASSI { 52}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HG3 ))
2.900 2.600 2.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.99621E-03 ppm1 8.534 ppm2 2.274 CV 1
ASSI { 53}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 81 and name HA ))
2.200 2.100 2.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.54456E-02 ppm1 8.534 ppm2 4.114 CV 1
ASSI { 54}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA1 ))
2.600 2.400 2.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.18936E-02 ppm1 8.316 ppm2 3.782 CV 1
ASSI { 55}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 80 and name HA2 ))
2.500 2.300 2.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.28463E-02 ppm1 8.316 ppm2 3.933 CV 1
ASSI { 56}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB3 ))
4.800 4.400 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.51280E-04 ppm1 8.613 ppm2 3.876 CV 1
ASSI { 57}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.300 2.200 2.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.42694E-02 ppm1 8.136 ppm2 4.323 CV 1
ASSI { 58}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.100 2.100 2.100 peak 58 spectrum 1 weight 0.10000E+01 volume 0.69743E-02 ppm1 8.424 ppm2 4.301 CV 1
ASSI { 59}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.100 2.700 2.700 peak 59 spectrum 1 weight 0.10000E+01 volume 0.68101E-03 ppm1 8.423 ppm2 2.214 CV 1
ASSI { 60}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB3 ))
3.100 2.700 2.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.69511E-03 ppm1 8.424 ppm2 1.856 CV 1
ASSI { 61}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.100 2.100 2.100 peak 61 spectrum 1 weight 0.10000E+01 volume 0.65514E-02 ppm1 8.275 ppm2 4.294 CV 1
ASSI { 62}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB2 ))
3.200 2.800 2.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.58925E-03 ppm1 8.275 ppm2 2.180 CV 1
ASSI { 63}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB3 ))
3.300 2.900 2.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.44341E-03 ppm1 8.275 ppm2 1.798 CV 1
ASSI { 64}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
3.000 2.700 2.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.77981E-03 ppm1 8.249 ppm2 2.214 CV 1
ASSI { 65}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.200 2.100 2.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.58572E-02 ppm1 8.250 ppm2 4.529 CV 1
ASSI { 66}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD2 ))
5.300 5.100 0.700 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26464E-04 ppm1 8.249 ppm2 3.564 CV 1
ASSI { 67}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB2 ))
3.300 2.900 2.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.45870E-03 ppm1 8.479 ppm2 3.942 CV 1
ASSI { 68}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.900 2.600 2.600 peak 68 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 8.480 ppm2 3.509 CV 1
ASSI { 69}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
3.700 3.200 2.300 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22817E-03 ppm1 8.621 ppm2 3.508 CV 1
ASSI { 70}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
3.600 3.100 2.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.30815E-03 ppm1 8.471 ppm2 3.871 CV 1
ASSI { 71}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HB% )
2.700 2.400 2.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 8.472 ppm2 1.354 CV 1
ASSI { 72}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.200 2.800 2.800 peak 72 spectrum 1 weight 0.10000E+01 volume 0.58808E-03 ppm1 8.009 ppm2 1.954 CV 1
ASSI { 73}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HG2 ))
3.000 2.600 2.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.90918E-03 ppm1 8.009 ppm2 2.394 CV 1
ASSI { 74}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
3.000 2.600 2.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.92917E-03 ppm1 8.010 ppm2 3.726 CV 1
ASSI { 75}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB3 ))
3.600 3.100 2.400 peak 75 spectrum 1 weight 0.10000E+01 volume 0.28228E-03 ppm1 8.487 ppm2 1.859 CV 1
ASSI { 76}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HB2 ))
2.900 2.600 2.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.97503E-03 ppm1 8.487 ppm2 2.309 CV 1
ASSI { 77}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 55 and name HA ))
2.300 2.100 2.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.44105E-02 ppm1 8.487 ppm2 4.241 CV 1
ASSI { 78}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HB ))
2.600 2.300 2.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 8.632 ppm2 1.831 CV 1
ASSI { 79}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HG12))
4.200 3.700 1.800 peak 79 spectrum 1 weight 0.10000E+01 volume 0.12114E-03 ppm1 8.633 ppm2 1.410 CV 1
ASSI { 80}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HG13))
3.800 3.300 2.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.21171E-03 ppm1 8.632 ppm2 1.284 CV 1
ASSI { 81}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 56 and name HG2%)
4.500 4.000 1.500 peak 81 spectrum 1 weight 0.10000E+01 volume 0.78921E-04 ppm1 8.632 ppm2 0.837 CV 1
ASSI { 82}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 56 and name HA ))
2.700 2.400 2.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 8.630 ppm2 3.705 CV 1
ASSI { 83}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HA ))
2.200 2.100 2.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.53515E-02 ppm1 8.199 ppm2 4.370 CV 1
ASSI { 84}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB3 ))
2.900 2.600 2.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.95736E-03 ppm1 8.198 ppm2 1.867 CV 1
ASSI { 85}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HB2 ))
3.000 2.700 2.700 peak 85 spectrum 1 weight 0.10000E+01 volume 0.79040E-03 ppm1 8.196 ppm2 1.667 CV 1
ASSI { 86}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HG2 ))
4.200 3.700 1.800 peak 86 spectrum 1 weight 0.10000E+01 volume 0.11397E-03 ppm1 8.198 ppm2 1.421 CV 1
ASSI { 87}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HB ))
3.100 2.700 2.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.70570E-03 ppm1 7.337 ppm2 1.983 CV 1
ASSI { 88}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 62 and name HA ))
2.800 2.500 2.500 peak 88 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 7.838 ppm2 5.094 CV 1
ASSI { 89}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB3 ))
2.800 2.500 2.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.390 ppm2 2.033 CV 1
OR { 89}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 90}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HG2 ))
3.800 3.300 2.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.19642E-03 ppm1 8.390 ppm2 2.407 CV 1
ASSI { 91}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HA ))
3.000 2.600 2.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.91620E-03 ppm1 8.392 ppm2 3.802 CV 1
ASSI { 92}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.500 3.000 2.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.33285E-03 ppm1 7.244 ppm2 4.276 CV 1
ASSI { 93}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HA ))
3.100 2.700 2.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.75156E-03 ppm1 7.067 ppm2 4.332 CV 1
ASSI { 94}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB2 ))
3.900 3.400 2.100 peak 94 spectrum 1 weight 0.10000E+01 volume 0.18113E-03 ppm1 7.068 ppm2 2.716 CV 1
ASSI { 95}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HA ))
2.400 2.300 2.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.28698E-02 ppm1 7.420 ppm2 3.681 CV 1
ASSI { 96}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HB ))
2.500 2.300 2.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 7.420 ppm2 1.773 CV 1
ASSI { 97}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG12))
3.700 3.200 2.300 peak 97 spectrum 1 weight 0.10000E+01 volume 0.22817E-03 ppm1 7.421 ppm2 1.319 CV 1
ASSI { 98}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HA ))
3.200 2.800 2.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.61748E-03 ppm1 8.150 ppm2 3.700 CV 1
ASSI { 99}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB2 ))
2.500 2.300 2.300 peak 99 spectrum 1 weight 0.10000E+01 volume 0.22817E-02 ppm1 8.150 ppm2 1.774 CV 1
ASSI { 100}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HG ))
4.200 3.700 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.11714E-03 ppm1 8.150 ppm2 1.564 CV 1
ASSI { 101}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.400 2.200 2.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.28933E-02 ppm1 8.149 ppm2 1.179 CV 1
ASSI { 102}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD2%)
3.100 2.700 2.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.75744E-03 ppm1 8.150 ppm2 0.729 CV 1
ASSI { 103}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 59 and name HD1%)
4.500 4.000 1.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.78683E-04 ppm1 8.149 ppm2 0.469 CV 1
ASSI { 104}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HB ))
3.600 3.100 2.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.30932E-03 ppm1 6.886 ppm2 4.107 CV 1
ASSI { 105}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 60 and name HG2%)
4.000 3.500 2.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14231E-03 ppm1 6.888 ppm2 1.133 CV 1
ASSI { 106}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HA ))
2.900 2.500 2.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 7.337 ppm2 4.301 CV 1
ASSI { 107}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HG12))
4.500 4.000 1.500 peak 107 spectrum 1 weight 0.10000E+01 volume 0.78802E-04 ppm1 7.338 ppm2 1.381 CV 1
ASSI { 108}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HG13))
4.000 3.500 2.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.15643E-03 ppm1 7.337 ppm2 1.194 CV 1
ASSI { 109}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 61 and name HD1%)
3.000 2.600 2.600 peak 109 spectrum 1 weight 0.10000E+01 volume 0.84447E-03 ppm1 7.337 ppm2 0.780 CV 1
ASSI { 110}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB2 ))
3.100 2.700 2.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.64098E-03 ppm1 7.407 ppm2 1.679 CV 1
ASSI { 111}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 64 and name HD1%)
4.000 3.500 2.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.14702E-03 ppm1 7.408 ppm2 0.869 CV 1
ASSI { 112}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 64 and name HD2%)
2.700 2.400 2.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 7.408 ppm2 0.798 CV 1
ASSI { 113}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HA ))
2.800 2.500 2.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.12467E-02 ppm1 7.408 ppm2 4.486 CV 1
ASSI { 114}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HA ))
2.600 2.400 2.400 peak 114 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 8.648 ppm2 4.364 CV 1
ASSI { 115}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB3 ))
4.300 3.800 1.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.99502E-04 ppm1 8.648 ppm2 1.735 CV 1
ASSI { 116}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HB2 ))
3.600 3.100 2.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.29874E-03 ppm1 8.648 ppm2 2.145 CV 1
ASSI { 117}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HG13))
4.700 4.200 1.300 peak 117 spectrum 1 weight 0.10000E+01 volume 0.58690E-04 ppm1 8.678 ppm2 1.248 CV 1
ASSI { 118}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HA ))
3.800 3.300 2.200 peak 118 spectrum 1 weight 0.10000E+01 volume 0.19642E-03 ppm1 8.678 ppm2 4.228 CV 1
ASSI { 119}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 67 and name HG2%)
2.400 2.200 2.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.29639E-02 ppm1 8.678 ppm2 0.935 CV 1
ASSI { 120}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB3 ))
5.800 5.700 0.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.15878E-04 ppm1 7.671 ppm2 2.754 CV 1
ASSI { 121}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HA ))
3.100 2.700 2.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.69160E-03 ppm1 7.671 ppm2 4.447 CV 1
ASSI { 122}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HA ))
3.600 3.100 2.400 peak 122 spectrum 1 weight 0.10000E+01 volume 0.28698E-03 ppm1 7.761 ppm2 4.068 CV 1
ASSI { 123}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB2 ))
3.400 2.900 2.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.43400E-03 ppm1 7.761 ppm2 1.847 CV 1
ASSI { 124}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 69 and name HB3 ))
3.000 2.600 2.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.83156E-03 ppm1 7.760 ppm2 2.052 CV 1
ASSI { 125}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB3 ))
3.400 2.900 2.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.42341E-03 ppm1 7.153 ppm2 2.542 CV 1
ASSI { 126}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HB2 ))
3.500 3.000 2.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.34344E-03 ppm1 7.153 ppm2 3.415 CV 1
ASSI { 127}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 70 and name HA ))
3.500 3.000 2.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.35284E-03 ppm1 7.152 ppm2 4.599 CV 1
ASSI { 128}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB2 ))
3.200 2.800 2.800 peak 128 spectrum 1 weight 0.10000E+01 volume 0.58572E-03 ppm1 9.201 ppm2 2.888 CV 1
ASSI { 129}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HB3 ))
3.500 3.100 2.500 peak 129 spectrum 1 weight 0.10000E+01 volume 0.32344E-03 ppm1 9.198 ppm2 2.426 CV 1
ASSI { 130}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HA ))
2.300 2.200 2.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.41871E-02 ppm1 9.202 ppm2 4.933 CV 1
ASSI { 131}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB3 ))
3.700 3.200 2.300 peak 131 spectrum 1 weight 0.10000E+01 volume 0.22817E-03 ppm1 6.987 ppm2 3.800 CV 1
ASSI { 132}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HB2 ))
3.000 2.600 2.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.81740E-03 ppm1 6.987 ppm2 3.866 CV 1
ASSI { 133}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HB ))
3.800 3.300 2.200 peak 133 spectrum 1 weight 0.10000E+01 volume 0.21053E-03 ppm1 9.383 ppm2 3.907 CV 1
ASSI { 134}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 74 and name HG2%)
2.900 2.600 2.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.10233E-02 ppm1 9.383 ppm2 0.978 CV 1
ASSI { 135}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 74 and name HA ))
2.200 2.100 2.100 peak 135 spectrum 1 weight 0.10000E+01 volume 0.51280E-02 ppm1 9.383 ppm2 4.475 CV 1
ASSI { 137}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA ))
2.700 2.400 2.400 peak 137 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 9.165 ppm2 5.000 CV 1
ASSI { 138}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.100 2.000 2.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.77624E-02 ppm1 9.440 ppm2 4.379 CV 1
ASSI { 139}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB ))
3.300 2.900 2.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.45987E-03 ppm1 9.440 ppm2 1.932 CV 1
ASSI { 140}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HB ))
3.200 2.800 2.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.55514E-03 ppm1 8.590 ppm2 1.752 CV 1
ASSI { 141}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HG12))
3.700 3.200 2.300 peak 141 spectrum 1 weight 0.10000E+01 volume 0.26110E-03 ppm1 8.589 ppm2 1.463 CV 1
ASSI { 142}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HG13))
6.000 6.000 0.000 peak 142 spectrum 1 weight 0.10000E+01 volume 0.22700E-05 ppm1 8.589 ppm2 1.150 CV 1
ASSI { 143}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA1 ))
2.900 2.500 2.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.10585E-02 ppm1 7.798 ppm2 3.644 CV 1
ASSI { 144}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HA2 ))
2.700 2.400 2.400 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 7.797 ppm2 4.075 CV 1
ASSI { 145}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB2 ))
3.500 3.000 2.500 peak 145 spectrum 1 weight 0.10000E+01 volume 0.32580E-03 ppm1 8.158 ppm2 1.683 CV 1
ASSI { 146}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HA ))
2.200 2.100 2.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.59983E-02 ppm1 8.158 ppm2 4.562 CV 1
ASSI { 147}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HA ))
3.000 2.600 2.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.82918E-03 ppm1 7.762 ppm2 4.097 CV 1
ASSI { 148}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 86 and name HB ))
3.100 2.700 2.700 peak 148 spectrum 1 weight 0.10000E+01 volume 0.64455E-03 ppm1 7.762 ppm2 2.119 CV 1
ASSI { 149}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 86 and name HG1%)
2.500 2.300 2.300 peak 149 spectrum 1 weight 0.10000E+01 volume 0.23052E-02 ppm1 7.762 ppm2 0.873 CV 1
ASSI { 150}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HB2 ))
3.100 2.700 2.700 peak 150 spectrum 1 weight 0.10000E+01 volume 0.63628E-03 ppm1 8.295 ppm2 2.000 CV 1
ASSI { 151}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 92 and name HA ))
2.500 2.300 2.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 8.297 ppm2 4.591 CV 1
ASSI { 152}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 93 and name HA ))
2.300 2.200 2.200 peak 152 spectrum 1 weight 0.10000E+01 volume 0.42224E-02 ppm1 8.346 ppm2 4.074 CV 1
ASSI { 153}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB2 ))
4.700 4.300 1.300 peak 153 spectrum 1 weight 0.10000E+01 volume 0.56573E-04 ppm1 7.847 ppm2 1.605 CV 1
ASSI { 154}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HG ))
3.300 2.900 2.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.45635E-03 ppm1 7.846 ppm2 1.482 CV 1
ASSI { 155}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 94 and name HD2%)
3.300 2.900 2.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.44223E-03 ppm1 7.847 ppm2 0.815 CV 1
ASSI { 156}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA1 ))
2.300 2.200 2.200 peak 156 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 8.225 ppm2 3.800 CV 1
ASSI { 157}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HD1%)
6.000 6.000 0.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10550E-04 ppm1 7.603 ppm2 0.618 CV 1
ASSI { 158}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 33 and name HD2%)
3.900 3.400 2.100 peak 158 spectrum 1 weight 0.10000E+01 volume 0.17642E-03 ppm1 7.603 ppm2 0.716 CV 1
ASSI { 159}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB3 ))
4.000 3.500 2.000 peak 159 spectrum 1 weight 0.10000E+01 volume 0.15878E-03 ppm1 8.926 ppm2 2.462 CV 1
ASSI { 160}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HB2 ))
4.100 3.600 1.900 peak 160 spectrum 1 weight 0.10000E+01 volume 0.13173E-03 ppm1 8.926 ppm2 2.867 CV 1
ASSI { 161}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 28 and name HA ))
2.700 2.400 2.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.15878E-02 ppm1 8.928 ppm2 5.621 CV 1
ASSI { 162}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HA ))
2.000 2.000 2.000 peak 162 spectrum 1 weight 0.10000E+01 volume 0.85036E-02 ppm1 8.996 ppm2 4.559 CV 1
ASSI { 163}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB2 ))
2.700 2.400 2.400 peak 163 spectrum 1 weight 0.10000E+01 volume 0.15055E-02 ppm1 8.996 ppm2 1.762 CV 1
ASSI { 164}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HD2 ))
2.800 2.500 2.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.11879E-02 ppm1 8.997 ppm2 1.637 CV 1
ASSI { 165}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HG3 ))
3.000 2.600 2.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.87742E-03 ppm1 8.996 ppm2 1.378 CV 1
ASSI { 166}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB2 ))
3.200 2.800 2.800 peak 166 spectrum 1 weight 0.10000E+01 volume 0.53632E-03 ppm1 8.937 ppm2 3.274 CV 1
ASSI { 167}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.300 2.200 2.200 peak 167 spectrum 1 weight 0.10000E+01 volume 0.39048E-02 ppm1 8.937 ppm2 5.185 CV 1
ASSI { 168}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HA ))
2.100 2.100 2.100 peak 168 spectrum 1 weight 0.10000E+01 volume 0.67274E-02 ppm1 8.786 ppm2 4.388 CV 1
ASSI { 169}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB ))
3.100 2.700 2.700 peak 169 spectrum 1 weight 0.10000E+01 volume 0.64217E-03 ppm1 8.786 ppm2 1.737 CV 1
ASSI { 170}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB3 ))
3.700 3.200 2.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.26110E-03 ppm1 8.249 ppm2 4.220 CV 1
ASSI { 171}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB2 ))
2.800 2.500 2.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 8.248 ppm2 3.943 CV 1
ASSI { 172}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HA ))
2.500 2.300 2.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.25405E-02 ppm1 8.631 ppm2 4.327 CV 1
ASSI { 173}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB2 ))
2.600 2.400 2.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.19642E-02 ppm1 8.632 ppm2 2.707 CV 1
ASSI { 174}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.500 2.300 2.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.26110E-02 ppm1 8.009 ppm2 3.923 CV 1
ASSI { 175}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HN ))
2.500 2.300 2.300 peak 175 spectrum 1 weight 0.10000E+01 volume 0.27757E-02 ppm1 8.010 ppm2 8.461 CV 1
ASSI { 177}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HB% )
3.400 2.900 2.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 8.614 ppm2 1.289 CV 1
ASSI { 178}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.600 2.300 2.300 peak 178 spectrum 1 weight 0.10000E+01 volume 0.20112E-02 ppm1 7.856 ppm2 4.131 CV 1
ASSI { 179}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG2 ))
6.000 6.000 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.69160E-05 ppm1 7.856 ppm2 2.502 CV 1
ASSI { 180}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.400 2.200 2.200 peak 180 spectrum 1 weight 0.10000E+01 volume 0.35520E-02 ppm1 7.856 ppm2 2.152 CV 1
ASSI { 181}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.500 2.300 2.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 8.424 ppm2 3.873 CV 1
ASSI { 182}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HG1%)
2.600 2.300 2.300 peak 182 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 8.479 ppm2 1.041 CV 1
ASSI { 183}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 12 and name HG2%)
3.000 2.600 2.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.87861E-03 ppm1 8.479 ppm2 0.847 CV 1
ASSI { 184}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 12 and name HG2%)
4.400 3.900 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.83037E-04 ppm1 8.249 ppm2 0.850 CV 1
ASSI { 185}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HN ))
2.400 2.200 2.200 peak 185 spectrum 1 weight 0.10000E+01 volume 0.33403E-02 ppm1 8.422 ppm2 7.850 CV 1
ASSI { 186}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HB3 ))
3.900 3.400 2.100 peak 186 spectrum 1 weight 0.10000E+01 volume 0.17877E-03 ppm1 8.479 ppm2 3.824 CV 1
ASSI { 187}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HB% )
2.100 2.000 2.000 peak 187 spectrum 1 weight 0.10000E+01 volume 0.73865E-02 ppm1 8.424 ppm2 1.353 CV 1
ASSI { 188}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 15 and name HB% )
3.200 2.800 2.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.53397E-03 ppm1 7.856 ppm2 1.360 CV 1
ASSI { 189}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HG2%)
3.000 2.600 2.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.88914E-03 ppm1 8.621 ppm2 0.833 CV 1
ASSI { 190}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 12 and name HG1%)
3.300 2.900 2.700 peak 190 spectrum 1 weight 0.10000E+01 volume 0.46811E-03 ppm1 8.620 ppm2 1.041 CV 1
ASSI { 191}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB3 ))
3.000 2.600 2.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.93387E-03 ppm1 8.472 ppm2 1.955 CV 1
ASSI { 192}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
2.700 2.400 2.400 peak 192 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 8.472 ppm2 2.200 CV 1
ASSI { 193}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG2 ))
2.700 2.400 2.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.17525E-02 ppm1 8.472 ppm2 2.393 CV 1
ASSI { 194}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG3 ))
2.800 2.500 2.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.009 ppm2 2.464 CV 1
ASSI { 195}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HA ))
2.800 2.500 2.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11749E-02 ppm1 8.470 ppm2 3.722 CV 1
ASSI { 196}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.600 2.300 2.300 peak 196 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 7.911 ppm2 1.852 CV 1
ASSI { 197}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA1 ))
2.400 2.200 2.200 peak 197 spectrum 1 weight 0.10000E+01 volume 0.34108E-02 ppm1 7.792 ppm2 3.801 CV 1
ASSI { 198}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HN ))
3.700 3.200 2.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.25170E-03 ppm1 7.791 ppm2 8.227 CV 1
ASSI { 199}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HB3 ))
3.600 3.200 2.400 peak 199 spectrum 1 weight 0.10000E+01 volume 0.26346E-03 ppm1 8.226 ppm2 1.965 CV 1
ASSI { 200}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 21 and name HA ))
2.300 2.200 2.200 peak 200 spectrum 1 weight 0.10000E+01 volume 0.42929E-02 ppm1 8.226 ppm2 4.098 CV 1
ASSI { 201}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.400 2.200 2.200 peak 201 spectrum 1 weight 0.10000E+01 volume 0.29286E-02 ppm1 8.633 ppm2 8.227 CV 1
ASSI { 202}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.300 2.200 2.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.41753E-02 ppm1 8.633 ppm2 7.243 CV 1
ASSI { 203}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HA ))
2.300 2.200 2.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.36813E-02 ppm1 8.633 ppm2 4.278 CV 1
ASSI { 204}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HB ))
2.800 2.500 2.500 peak 204 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 8.988 ppm2 1.737 CV 1
ASSI { 205}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 25 and name HB ))
2.500 2.300 2.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.27169E-02 ppm1 8.786 ppm2 1.934 CV 1
ASSI { 206}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG2%)
2.400 2.200 2.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.35402E-02 ppm1 8.988 ppm2 0.707 CV 1
ASSI { 207}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HG1%)
2.400 2.200 2.200 peak 207 spectrum 1 weight 0.10000E+01 volume 0.31639E-02 ppm1 8.786 ppm2 0.845 CV 1
ASSI { 208}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB3 ))
2.700 2.400 2.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.14702E-02 ppm1 9.165 ppm2 2.634 CV 1
ASSI { 209}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB2 ))
2.700 2.400 2.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.14937E-02 ppm1 9.440 ppm2 3.279 CV 1
ASSI { 210}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HB3 ))
3.000 2.600 2.600 peak 210 spectrum 1 weight 0.10000E+01 volume 0.86915E-03 ppm1 9.439 ppm2 3.452 CV 1
ASSI { 211}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB2 ))
2.700 2.400 2.400 peak 211 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 8.937 ppm2 2.867 CV 1
ASSI { 212}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 28 and name HB2 ))
3.800 3.300 2.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.21876E-03 ppm1 9.165 ppm2 2.875 CV 1
ASSI { 213}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HB3 ))
3.600 3.100 2.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.27874E-03 ppm1 8.937 ppm2 2.471 CV 1
ASSI { 214}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 26 and name HA ))
3.000 2.600 2.600 peak 214 spectrum 1 weight 0.10000E+01 volume 0.79623E-03 ppm1 9.439 ppm2 5.000 CV 1
ASSI { 215}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 24 and name HA ))
3.200 2.800 2.800 peak 215 spectrum 1 weight 0.10000E+01 volume 0.53515E-03 ppm1 8.988 ppm2 4.389 CV 1
ASSI { 216}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 26 and name HN ))
4.200 3.700 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.10903E-03 ppm1 8.786 ppm2 9.440 CV 1
ASSI { 217}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HN ))
4.300 3.800 1.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10209E-03 ppm1 8.937 ppm2 9.171 CV 1
ASSI { 218}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HB2 ))
3.600 3.100 2.400 peak 218 spectrum 1 weight 0.10000E+01 volume 0.29991E-03 ppm1 7.704 ppm2 3.718 CV 1
ASSI { 219}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 30 and name HN ))
5.100 4.700 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.36813E-04 ppm1 8.926 ppm2 7.709 CV 1
ASSI { 220}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HN ))
3.000 2.600 2.600 peak 220 spectrum 1 weight 0.10000E+01 volume 0.89972E-03 ppm1 7.376 ppm2 8.509 CV 1
ASSI { 221}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HN ))
2.800 2.500 2.500 peak 221 spectrum 1 weight 0.10000E+01 volume 0.11997E-02 ppm1 7.603 ppm2 7.376 CV 1
ASSI { 222}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HG ))
4.000 3.500 2.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.15055E-03 ppm1 7.376 ppm2 1.392 CV 1
ASSI { 223}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB2 ))
2.600 2.400 2.400 peak 223 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 7.376 ppm2 1.370 CV 1
ASSI { 224}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB2 ))
2.900 2.500 2.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.11150E-02 ppm1 9.104 ppm2 1.781 CV 1
ASSI { 225}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HG2 ))
3.100 2.700 2.700 peak 225 spectrum 1 weight 0.10000E+01 volume 0.72568E-03 ppm1 9.103 ppm2 1.373 CV 1
OR { 225}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HG3 ))
ASSI { 226}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB3 ))
4.500 4.000 1.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.78094E-04 ppm1 8.514 ppm2 1.811 CV 1
ASSI { 227}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HD2%)
3.300 2.800 2.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.51633E-03 ppm1 7.376 ppm2 0.728 CV 1
ASSI { 228}
(( segid " " and resid 33 and name HN ))
( segid " " and resid 33 and name HD1%)
4.600 4.200 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.63039E-04 ppm1 7.376 ppm2 0.618 CV 1
ASSI { 229}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HB2 ))
2.500 2.300 2.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 8.508 ppm2 1.668 CV 1
ASSI { 230}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HG2 ))
3.800 3.400 2.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.19053E-03 ppm1 8.508 ppm2 1.419 CV 1
ASSI { 231}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HB2 ))
5.300 5.000 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.27169E-04 ppm1 8.621 ppm2 2.144 CV 1
ASSI { 232}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.700 2.400 2.400 peak 232 spectrum 1 weight 0.10000E+01 volume 0.17525E-02 ppm1 8.479 ppm2 4.567 CV 1
ASSI { 233}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB ))
2.700 2.400 2.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 8.481 ppm2 2.346 CV 1
ASSI { 234}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB ))
2.600 2.300 2.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.22347E-02 ppm1 8.621 ppm2 2.345 CV 1
ASSI { 235}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB2 ))
2.900 2.600 2.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 7.855 ppm2 3.738 CV 1
ASSI { 236}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HB3 ))
3.100 2.700 2.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.75976E-03 ppm1 7.856 ppm2 3.827 CV 1
ASSI { 237}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB3 ))
2.600 2.400 2.400 peak 237 spectrum 1 weight 0.10000E+01 volume 0.19171E-02 ppm1 8.621 ppm2 3.821 CV 1
ASSI { 238}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HB3 ))
3.700 3.300 2.300 peak 238 spectrum 1 weight 0.10000E+01 volume 0.22347E-03 ppm1 8.621 ppm2 2.075 CV 1
ASSI { 239}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG3 ))
2.600 2.400 2.400 peak 239 spectrum 1 weight 0.10000E+01 volume 0.18818E-02 ppm1 7.856 ppm2 2.542 CV 1
ASSI { 240}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB3 ))
2.700 2.400 2.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.15995E-02 ppm1 7.856 ppm2 2.083 CV 1
ASSI { 241}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG2 ))
4.600 4.200 1.400 peak 241 spectrum 1 weight 0.10000E+01 volume 0.61395E-04 ppm1 8.423 ppm2 2.503 CV 1
ASSI { 242}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB3 ))
2.900 2.600 2.600 peak 242 spectrum 1 weight 0.10000E+01 volume 0.10091E-02 ppm1 8.423 ppm2 2.086 CV 1
ASSI { 243}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HG3 ))
2.600 2.400 2.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.19524E-02 ppm1 8.472 ppm2 2.137 CV 1
ASSI { 244}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG2 ))
2.900 2.500 2.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.11068E-02 ppm1 7.911 ppm2 1.464 CV 1
OR { 244}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 245}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB3 ))
4.000 3.500 2.000 peak 245 spectrum 1 weight 0.10000E+01 volume 0.15643E-03 ppm1 7.244 ppm2 1.505 CV 1
ASSI { 246}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG2 ))
5.100 4.800 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.34344E-04 ppm1 7.243 ppm2 1.081 CV 1
ASSI { 247}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.600 3.200 2.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.26581E-03 ppm1 7.244 ppm2 1.640 CV 1
ASSI { 248}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HG3 ))
3.800 3.300 2.200 peak 248 spectrum 1 weight 0.10000E+01 volume 0.20583E-03 ppm1 7.244 ppm2 1.322 CV 1
ASSI { 249}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD2 ))
5.200 4.900 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.31286E-04 ppm1 7.244 ppm2 1.479 CV 1
OR { 249}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 250}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HB2 ))
2.700 2.400 2.400 peak 250 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 9.165 ppm2 3.280 CV 1
ASSI { 251}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HB2 ))
4.900 4.500 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.43400E-04 ppm1 9.165 ppm2 3.277 CV 1
ASSI { 252}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HA ))
3.600 3.100 2.400 peak 252 spectrum 1 weight 0.10000E+01 volume 0.29756E-03 ppm1 8.926 ppm2 4.809 CV 1
ASSI { 253}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 29 and name HB3 ))
3.700 3.200 2.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.23758E-03 ppm1 8.926 ppm2 2.641 CV 1
ASSI { 254}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB3 ))
3.700 3.200 2.300 peak 254 spectrum 1 weight 0.10000E+01 volume 0.23758E-03 ppm1 8.937 ppm2 2.634 CV 1
ASSI { 255}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HA ))
3.300 2.900 2.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.43870E-03 ppm1 7.713 ppm2 4.681 CV 1
ASSI { 256}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HA ))
5.700 5.600 0.300 peak 256 spectrum 1 weight 0.10000E+01 volume 0.17290E-04 ppm1 8.506 ppm2 4.378 CV 1
ASSI { 257}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB2 ))
2.600 2.300 2.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.19759E-02 ppm1 8.198 ppm2 3.836 CV 1
ASSI { 259}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HN ))
2.600 2.400 2.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19171E-02 ppm1 8.632 ppm2 7.066 CV 1
ASSI { 260}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HN ))
2.600 2.300 2.300 peak 260 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 7.421 ppm2 7.058 CV 1
ASSI { 262}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HN ))
2.800 2.500 2.500 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 7.421 ppm2 8.152 CV 1
ASSI { 263}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 60 and name HA ))
4.400 4.000 1.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.82097E-04 ppm1 6.887 ppm2 3.819 CV 1
ASSI { 265}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 61 and name HN ))
2.800 2.500 2.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 7.337 ppm2 6.886 CV 1
ASSI { 266}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HN ))
2.900 2.600 2.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.97503E-03 ppm1 8.150 ppm2 6.885 CV 1
ASSI { 269}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 63 and name HN ))
2.700 2.400 2.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 7.337 ppm2 7.840 CV 1
ASSI { 271}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HN ))
3.000 2.600 2.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.93149E-03 ppm1 7.838 ppm2 8.390 CV 1
ASSI { 272}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 65 and name HN ))
2.400 2.200 2.200 peak 272 spectrum 1 weight 0.10000E+01 volume 0.29639E-02 ppm1 8.391 ppm2 7.410 CV 1
ASSI { 273}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 69 and name HN ))
2.700 2.400 2.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 8.680 ppm2 7.678 CV 1
ASSI { 275}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HN ))
2.200 2.100 2.100 peak 275 spectrum 1 weight 0.10000E+01 volume 0.53162E-02 ppm1 7.760 ppm2 7.154 CV 1
ASSI { 276}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 71 and name HN ))
3.900 3.400 2.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.18230E-03 ppm1 9.202 ppm2 7.154 CV 1
ASSI { 277}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 73 and name HN ))
3.200 2.700 2.700 peak 277 spectrum 1 weight 0.10000E+01 volume 0.63039E-03 ppm1 8.267 ppm2 6.985 CV 1
ASSI { 278}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HN ))
2.500 2.300 2.300 peak 278 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 9.202 ppm2 6.986 CV 1
ASSI { 281}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 75 and name HN ))
3.700 3.200 2.300 peak 281 spectrum 1 weight 0.10000E+01 volume 0.25993E-03 ppm1 8.271 ppm2 9.378 CV 1
ASSI { 282}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 75 and name HN ))
3.400 3.000 2.600 peak 282 spectrum 1 weight 0.10000E+01 volume 0.38695E-03 ppm1 9.118 ppm2 9.382 CV 1
ASSI { 283}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HN ))
3.300 2.900 2.700 peak 283 spectrum 1 weight 0.10000E+01 volume 0.46811E-03 ppm1 8.590 ppm2 8.180 CV 1
ASSI { 284}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 84 and name HN ))
2.600 2.300 2.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 7.798 ppm2 8.588 CV 1
ASSI { 286}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 86 and name HN ))
3.800 3.300 2.200 peak 286 spectrum 1 weight 0.10000E+01 volume 0.21406E-03 ppm1 7.798 ppm2 8.167 CV 1
ASSI { 287}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HN ))
3.900 3.400 2.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.18818E-03 ppm1 8.715 ppm2 7.763 CV 1
ASSI { 288}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 89 and name HN ))
4.500 4.000 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.76922E-04 ppm1 8.714 ppm2 8.072 CV 1
ASSI { 289}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HN ))
3.800 3.300 2.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.21994E-03 ppm1 9.110 ppm2 8.067 CV 1
ASSI { 291}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 91 and name HN ))
3.100 2.700 2.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.63628E-03 ppm1 9.110 ppm2 8.617 CV 1
ASSI { 293}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HN ))
3.700 3.200 2.300 peak 293 spectrum 1 weight 0.10000E+01 volume 0.25523E-03 ppm1 8.996 ppm2 8.186 CV 1
ASSI { 294}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 53 and name HN ))
4.300 3.800 1.700 peak 294 spectrum 1 weight 0.10000E+01 volume 0.10221E-03 ppm1 7.771 ppm2 8.999 CV 1
ASSI { 295}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
2.500 2.300 2.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.26816E-02 ppm1 8.621 ppm2 4.196 CV 1
ASSI { 296}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HA ))
3.400 2.900 2.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.41283E-03 ppm1 8.479 ppm2 4.197 CV 1
ASSI { 297}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HA ))
2.800 2.500 2.500 peak 297 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 8.188 ppm2 4.560 CV 1
ASSI { 298}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HA ))
3.400 3.000 2.600 peak 298 spectrum 1 weight 0.10000E+01 volume 0.38813E-03 ppm1 8.996 ppm2 4.452 CV 1
ASSI { 300}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 75 and name HG1%)
2.300 2.200 2.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.42106E-02 ppm1 9.383 ppm2 0.875 CV 1
ASSI { 301}
(( segid " " and resid 75 and name HN ))
( segid " " and resid 75 and name HG2%)
4.300 3.800 1.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.97735E-04 ppm1 9.383 ppm2 0.890 CV 1
ASSI { 302}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HB ))
2.400 2.200 2.200 peak 302 spectrum 1 weight 0.10000E+01 volume 0.30227E-02 ppm1 9.383 ppm2 2.037 CV 1
ASSI { 303}
(( segid " " and resid 75 and name HN ))
(( segid " " and resid 75 and name HA ))
3.700 3.300 2.300 peak 303 spectrum 1 weight 0.10000E+01 volume 0.22465E-03 ppm1 9.384 ppm2 4.319 CV 1
ASSI { 304}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HA ))
3.000 2.700 2.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.77862E-03 ppm1 9.118 ppm2 5.222 CV 1
ASSI { 305}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 80 and name HN ))
3.800 3.300 2.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.19759E-03 ppm1 8.810 ppm2 8.287 CV 1
ASSI { 306}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HA ))
2.300 2.200 2.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.40577E-02 ppm1 8.290 ppm2 4.456 CV 1
ASSI { 307}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HA ))
2.700 2.400 2.400 peak 307 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 8.810 ppm2 4.451 CV 1
ASSI { 308}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HB2 ))
2.900 2.500 2.500 peak 308 spectrum 1 weight 0.10000E+01 volume 0.11315E-02 ppm1 8.290 ppm2 4.071 CV 1
ASSI { 309}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 79 and name HB3 ))
2.500 2.300 2.300 peak 309 spectrum 1 weight 0.10000E+01 volume 0.28463E-02 ppm1 8.290 ppm2 3.982 CV 1
ASSI { 310}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB2 ))
3.600 3.100 2.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.27992E-03 ppm1 8.809 ppm2 4.065 CV 1
ASSI { 311}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 79 and name HB3 ))
2.600 2.300 2.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.21876E-02 ppm1 8.810 ppm2 3.985 CV 1
ASSI { 312}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA1 ))
2.500 2.300 2.300 peak 312 spectrum 1 weight 0.10000E+01 volume 0.28463E-02 ppm1 8.290 ppm2 3.779 CV 1
ASSI { 313}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 80 and name HA2 ))
3.300 2.900 2.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.44105E-03 ppm1 8.290 ppm2 3.931 CV 1
ASSI { 314}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HA ))
2.700 2.400 2.400 peak 314 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 8.316 ppm2 4.114 CV 1
ASSI { 315}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HA ))
2.800 2.500 2.500 peak 315 spectrum 1 weight 0.10000E+01 volume 0.11620E-02 ppm1 8.176 ppm2 3.918 CV 1
ASSI { 316}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB3 ))
4.100 3.600 1.900 peak 316 spectrum 1 weight 0.10000E+01 volume 0.13526E-03 ppm1 8.479 ppm2 4.232 CV 1
ASSI { 317}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA2 ))
2.500 2.300 2.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.24816E-02 ppm1 7.791 ppm2 4.047 CV 1
ASSI { 318}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA2 ))
2.400 2.200 2.200 peak 318 spectrum 1 weight 0.10000E+01 volume 0.36578E-02 ppm1 8.226 ppm2 4.050 CV 1
ASSI { 319}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.300 2.900 2.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.44929E-03 ppm1 8.226 ppm2 2.197 CV 1
ASSI { 320}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 22 and name HB3 ))
2.500 2.300 2.300 peak 320 spectrum 1 weight 0.10000E+01 volume 0.25052E-02 ppm1 8.633 ppm2 1.962 CV 1
ASSI { 321}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 23 and name HA ))
3.400 2.900 2.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.43635E-03 ppm1 7.244 ppm2 4.562 CV 1
ASSI { 322}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB3 ))
2.700 2.400 2.400 peak 322 spectrum 1 weight 0.10000E+01 volume 0.16466E-02 ppm1 8.988 ppm2 1.504 CV 1
ASSI { 323}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HD2 ))
4.000 3.500 2.000 peak 323 spectrum 1 weight 0.10000E+01 volume 0.15760E-03 ppm1 8.988 ppm2 1.479 CV 1
OR { 323}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 324}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG3 ))
4.400 3.900 1.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.87385E-04 ppm1 8.988 ppm2 1.322 CV 1
ASSI { 325}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 24 and name HG1%)
3.800 3.300 2.200 peak 325 spectrum 1 weight 0.10000E+01 volume 0.19171E-03 ppm1 8.988 ppm2 0.679 CV 1
ASSI { 326}
(( segid " " and resid 25 and name HN ))
( segid " " and resid 25 and name HG2%)
4.200 3.700 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.11291E-03 ppm1 8.786 ppm2 0.798 CV 1
ASSI { 327}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HA ))
2.800 2.500 2.500 peak 327 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 9.104 ppm2 3.938 CV 1
ASSI { 328}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 31 and name HB3 ))
2.800 2.500 2.500 peak 328 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 9.104 ppm2 1.729 CV 1
ASSI { 329}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HB2 ))
4.300 3.800 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.95623E-04 ppm1 8.513 ppm2 1.884 CV 1
ASSI { 330}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 32 and name HA ))
3.000 2.700 2.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.77743E-03 ppm1 8.513 ppm2 3.997 CV 1
ASSI { 331}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HA ))
3.900 3.400 2.100 peak 331 spectrum 1 weight 0.10000E+01 volume 0.18818E-03 ppm1 7.376 ppm2 4.024 CV 1
ASSI { 332}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 33 and name HB3 ))
4.000 3.500 2.000 peak 332 spectrum 1 weight 0.10000E+01 volume 0.16113E-03 ppm1 7.376 ppm2 1.524 CV 1
ASSI { 333}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HB3 ))
2.500 2.300 2.300 peak 333 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 7.603 ppm2 1.772 CV 1
ASSI { 334}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HD2 ))
6.000 6.000 0.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.84328E-05 ppm1 7.603 ppm2 1.564 CV 1
OR { 334}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HD3 ))
ASSI { 335}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HG2 ))
4.000 3.500 2.000 peak 335 spectrum 1 weight 0.10000E+01 volume 0.15995E-03 ppm1 7.603 ppm2 1.312 CV 1
ASSI { 336}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 34 and name HG3 ))
3.800 3.300 2.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.20465E-03 ppm1 7.603 ppm2 1.370 CV 1
ASSI { 337}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HB3 ))
4.100 3.600 1.900 peak 337 spectrum 1 weight 0.10000E+01 volume 0.13055E-03 ppm1 7.603 ppm2 2.630 CV 1
ASSI { 338}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB2 ))
3.400 3.000 2.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.37872E-03 ppm1 7.713 ppm2 2.849 CV 1
ASSI { 339}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 35 and name HB3 ))
5.400 5.100 0.600 peak 339 spectrum 1 weight 0.10000E+01 volume 0.25052E-04 ppm1 7.713 ppm2 2.627 CV 1
ASSI { 340}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 37 and name HG3 ))
2.500 2.300 2.300 peak 340 spectrum 1 weight 0.10000E+01 volume 0.27051E-02 ppm1 8.508 ppm2 1.367 CV 1
ASSI { 341}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HB3 ))
2.300 2.100 2.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.46928E-02 ppm1 8.198 ppm2 3.779 CV 1
ASSI { 342}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA2 ))
2.900 2.500 2.500 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.446 ppm2 3.994 CV 1
ASSI { 343}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HG3 ))
2.800 2.500 2.500 peak 343 spectrum 1 weight 0.10000E+01 volume 0.11761E-02 ppm1 8.191 ppm2 1.379 CV 1
OR { 343}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 52 and name HG2 ))
ASSI { 344}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB2 ))
2.300 2.100 2.100 peak 344 spectrum 1 weight 0.10000E+01 volume 0.46811E-02 ppm1 8.996 ppm2 2.594 CV 1
ASSI { 345}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HB3 ))
3.500 3.100 2.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.32109E-03 ppm1 8.996 ppm2 2.557 CV 1
ASSI { 346}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HA ))
3.500 3.000 2.500 peak 346 spectrum 1 weight 0.10000E+01 volume 0.33285E-03 ppm1 7.769 ppm2 4.369 CV 1
ASSI { 347}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HB ))
3.300 2.800 2.700 peak 347 spectrum 1 weight 0.10000E+01 volume 0.51162E-03 ppm1 7.769 ppm2 1.493 CV 1
ASSI { 348}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG12))
2.400 2.200 2.200 peak 348 spectrum 1 weight 0.10000E+01 volume 0.32580E-02 ppm1 7.769 ppm2 1.471 CV 1
ASSI { 349}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 54 and name HG13))
3.000 2.600 2.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.87623E-03 ppm1 7.769 ppm2 1.135 CV 1
ASSI { 350}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 54 and name HD1%)
2.600 2.300 2.300 peak 350 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 7.769 ppm2 0.713 CV 1
ASSI { 351}
(( segid " " and resid 54 and name HN ))
( segid " " and resid 54 and name HG2%)
4.000 3.500 2.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.14584E-03 ppm1 7.769 ppm2 0.745 CV 1
ASSI { 352}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HA ))
2.700 2.400 2.400 peak 352 spectrum 1 weight 0.10000E+01 volume 0.14819E-02 ppm1 8.487 ppm2 3.712 CV 1
ASSI { 353}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HB ))
2.200 2.100 2.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.54338E-02 ppm1 8.487 ppm2 1.834 CV 1
ASSI { 354}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG12))
3.400 2.900 2.600 peak 354 spectrum 1 weight 0.10000E+01 volume 0.41636E-03 ppm1 8.487 ppm2 1.411 CV 1
ASSI { 355}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 56 and name HG13))
2.900 2.600 2.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.98794E-03 ppm1 8.487 ppm2 1.286 CV 1
ASSI { 356}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 56 and name HG2%)
3.700 3.200 2.300 peak 356 spectrum 1 weight 0.10000E+01 volume 0.25993E-03 ppm1 8.487 ppm2 0.836 CV 1
ASSI { 357}
(( segid " " and resid 56 and name HN ))
( segid " " and resid 56 and name HD1%)
2.500 2.300 2.300 peak 357 spectrum 1 weight 0.10000E+01 volume 0.24464E-02 ppm1 8.487 ppm2 0.807 CV 1
ASSI { 358}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HB3 ))
3.200 2.800 2.800 peak 358 spectrum 1 weight 0.10000E+01 volume 0.61630E-03 ppm1 8.632 ppm2 2.675 CV 1
ASSI { 359}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HA ))
3.000 2.600 2.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.92090E-03 ppm1 7.067 ppm2 3.683 CV 1
ASSI { 360}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HB ))
2.600 2.400 2.400 peak 360 spectrum 1 weight 0.10000E+01 volume 0.19171E-02 ppm1 7.068 ppm2 1.781 CV 1
ASSI { 361}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG12))
3.300 2.900 2.700 peak 361 spectrum 1 weight 0.10000E+01 volume 0.47163E-03 ppm1 7.066 ppm2 1.315 CV 1
ASSI { 362}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 58 and name HG13))
3.000 2.600 2.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.87504E-03 ppm1 7.067 ppm2 1.108 CV 1
ASSI { 363}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HG2%)
3.600 3.100 2.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.30815E-03 ppm1 7.067 ppm2 0.287 CV 1
ASSI { 364}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 58 and name HD1%)
3.300 2.900 2.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.46222E-03 ppm1 7.068 ppm2 0.683 CV 1
ASSI { 365}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HA ))
3.700 3.300 2.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.22582E-03 ppm1 7.420 ppm2 3.699 CV 1
ASSI { 366}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HB3 ))
2.700 2.400 2.400 peak 366 spectrum 1 weight 0.10000E+01 volume 0.14819E-02 ppm1 7.420 ppm2 1.167 CV 1
ASSI { 367}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 59 and name HG ))
2.500 2.300 2.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.27640E-02 ppm1 7.421 ppm2 1.559 CV 1
ASSI { 368}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD1%)
3.000 2.600 2.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.79980E-03 ppm1 7.421 ppm2 0.469 CV 1
ASSI { 369}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 59 and name HD2%)
2.700 2.400 2.400 peak 369 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 7.420 ppm2 0.731 CV 1
ASSI { 370}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 60 and name HA ))
2.700 2.400 2.400 peak 370 spectrum 1 weight 0.10000E+01 volume 0.16231E-02 ppm1 8.150 ppm2 3.820 CV 1
ASSI { 371}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 60 and name HG2%)
3.400 2.900 2.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.41047E-03 ppm1 8.150 ppm2 1.134 CV 1
ASSI { 372}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HA ))
3.200 2.700 2.700 peak 372 spectrum 1 weight 0.10000E+01 volume 0.62218E-03 ppm1 6.887 ppm2 4.300 CV 1
ASSI { 373}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HB ))
3.000 2.600 2.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.85624E-03 ppm1 6.888 ppm2 1.983 CV 1
ASSI { 374}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG12))
3.600 3.200 2.400 peak 374 spectrum 1 weight 0.10000E+01 volume 0.26699E-03 ppm1 6.887 ppm2 1.376 CV 1
ASSI { 375}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 61 and name HG13))
3.200 2.800 2.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.60336E-03 ppm1 6.888 ppm2 1.198 CV 1
ASSI { 376}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 61 and name HG2%)
2.700 2.400 2.400 peak 376 spectrum 1 weight 0.10000E+01 volume 0.17054E-02 ppm1 6.888 ppm2 0.836 CV 1
ASSI { 377}
(( segid " " and resid 61 and name HN ))
( segid " " and resid 61 and name HD1%)
4.000 3.500 2.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 6.888 ppm2 0.779 CV 1
ASSI { 378}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HA ))
3.000 2.600 2.600 peak 378 spectrum 1 weight 0.10000E+01 volume 0.89972E-03 ppm1 7.337 ppm2 5.093 CV 1
ASSI { 379}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.100 2.700 2.700 peak 379 spectrum 1 weight 0.10000E+01 volume 0.71860E-03 ppm1 7.337 ppm2 2.932 CV 1
ASSI { 380}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 62 and name HB3 ))
2.800 2.500 2.500 peak 380 spectrum 1 weight 0.10000E+01 volume 0.12702E-02 ppm1 7.337 ppm2 2.398 CV 1
ASSI { 381}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HA ))
2.600 2.400 2.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.18701E-02 ppm1 7.838 ppm2 3.805 CV 1
ASSI { 382}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HB2 ))
2.400 2.200 2.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.33755E-02 ppm1 7.838 ppm2 2.032 CV 1
ASSI { 383}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 63 and name HG3 ))
3.000 2.600 2.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.84566E-03 ppm1 7.838 ppm2 2.350 CV 1
ASSI { 384}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 64 and name HA ))
2.600 2.300 2.300 peak 384 spectrum 1 weight 0.10000E+01 volume 0.22465E-02 ppm1 8.390 ppm2 4.490 CV 1
ASSI { 385}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 64 and name HD1%)
3.400 3.000 2.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.37048E-03 ppm1 8.392 ppm2 0.869 CV 1
ASSI { 386}
(( segid " " and resid 64 and name HN ))
( segid " " and resid 64 and name HD2%)
2.600 2.400 2.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.18936E-02 ppm1 8.392 ppm2 0.806 CV 1
ASSI { 387}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HA ))
2.800 2.500 2.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.13291E-02 ppm1 7.408 ppm2 4.409 CV 1
ASSI { 388}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HB ))
2.500 2.300 2.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.25170E-02 ppm1 7.408 ppm2 2.198 CV 1
ASSI { 389}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HG12))
2.700 2.400 2.400 peak 389 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 7.408 ppm2 1.596 CV 1
ASSI { 390}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 65 and name HG13))
2.700 2.400 2.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.17054E-02 ppm1 7.408 ppm2 1.406 CV 1
ASSI { 391}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HG2%)
2.600 2.300 2.300 peak 391 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 7.408 ppm2 1.027 CV 1
ASSI { 392}
(( segid " " and resid 65 and name HN ))
( segid " " and resid 65 and name HD1%)
5.500 5.300 0.500 peak 392 spectrum 1 weight 0.10000E+01 volume 0.22700E-04 ppm1 7.408 ppm2 0.789 CV 1
ASSI { 393}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HA ))
3.200 2.800 2.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.59749E-03 ppm1 8.648 ppm2 4.229 CV 1
ASSI { 394}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HB ))
6.000 6.000 0.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.67274E-05 ppm1 8.647 ppm2 1.556 CV 1
ASSI { 395}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG12))
2.900 2.600 2.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.98913E-03 ppm1 8.647 ppm2 1.550 CV 1
ASSI { 396}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 67 and name HG2%)
3.300 2.900 2.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.46811E-03 ppm1 8.648 ppm2 0.940 CV 1
ASSI { 397}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 67 and name HD1%)
2.700 2.400 2.400 peak 397 spectrum 1 weight 0.10000E+01 volume 0.17525E-02 ppm1 8.648 ppm2 0.909 CV 1
ASSI { 398}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 67 and name HG13))
4.300 3.800 1.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.97854E-04 ppm1 8.648 ppm2 1.242 CV 1
ASSI { 399}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HA ))
2.700 2.400 2.400 peak 399 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 8.678 ppm2 4.437 CV 1
ASSI { 400}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HA ))
2.700 2.400 2.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.16466E-02 ppm1 7.670 ppm2 4.066 CV 1
ASSI { 401}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB2 ))
2.600 2.400 2.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18113E-02 ppm1 7.671 ppm2 1.846 CV 1
ASSI { 402}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HB3 ))
2.400 2.200 2.200 peak 402 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 7.670 ppm2 2.062 CV 1
ASSI { 403}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HA ))
3.100 2.700 2.700 peak 403 spectrum 1 weight 0.10000E+01 volume 0.63509E-03 ppm1 7.760 ppm2 4.600 CV 1
ASSI { 404}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB3 ))
2.600 2.300 2.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.21053E-02 ppm1 7.761 ppm2 2.536 CV 1
ASSI { 405}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 70 and name HB2 ))
2.800 2.500 2.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 7.760 ppm2 3.415 CV 1
ASSI { 406}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HA ))
2.800 2.500 2.500 peak 406 spectrum 1 weight 0.10000E+01 volume 0.11997E-02 ppm1 7.153 ppm2 4.937 CV 1
ASSI { 407}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB2 ))
3.100 2.700 2.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.66685E-03 ppm1 7.154 ppm2 2.886 CV 1
ASSI { 408}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 71 and name HB3 ))
2.800 2.500 2.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 7.152 ppm2 2.431 CV 1
ASSI { 409}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HA ))
2.900 2.600 2.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 9.200 ppm2 4.574 CV 1
ASSI { 410}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB2 ))
2.700 2.400 2.400 peak 410 spectrum 1 weight 0.10000E+01 volume 0.14467E-02 ppm1 9.200 ppm2 3.865 CV 1
ASSI { 411}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 72 and name HB3 ))
3.300 2.800 2.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.50104E-03 ppm1 9.201 ppm2 3.800 CV 1
ASSI { 412}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HA ))
2.300 2.200 2.200 peak 412 spectrum 1 weight 0.10000E+01 volume 0.39166E-02 ppm1 6.987 ppm2 4.927 CV 1
ASSI { 413}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB2 ))
2.500 2.300 2.300 peak 413 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 6.987 ppm2 2.886 CV 1
ASSI { 414}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 73 and name HB3 ))
2.400 2.200 2.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.34108E-02 ppm1 6.987 ppm2 2.140 CV 1
ASSI { 415}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HB ))
2.600 2.300 2.300 peak 415 spectrum 1 weight 0.10000E+01 volume 0.20818E-02 ppm1 8.270 ppm2 3.902 CV 1
ASSI { 416}
(( segid " " and resid 74 and name HN ))
( segid " " and resid 74 and name HG2%)
3.000 2.600 2.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.80919E-03 ppm1 8.269 ppm2 0.978 CV 1
ASSI { 417}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB2 ))
3.400 2.900 2.600 peak 417 spectrum 1 weight 0.10000E+01 volume 0.40930E-03 ppm1 9.118 ppm2 3.397 CV 1
ASSI { 418}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 76 and name HB3 ))
2.900 2.500 2.500 peak 418 spectrum 1 weight 0.10000E+01 volume 0.10973E-02 ppm1 9.118 ppm2 3.275 CV 1
ASSI { 420}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HA ))
3.000 2.600 2.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.83858E-03 ppm1 8.535 ppm2 4.413 CV 1
ASSI { 421}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB3 ))
2.500 2.300 2.300 peak 421 spectrum 1 weight 0.10000E+01 volume 0.24111E-02 ppm1 8.534 ppm2 1.833 CV 1
ASSI { 422}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HG2 ))
5.700 5.600 0.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.17760E-04 ppm1 8.534 ppm2 2.271 CV 1
OR { 422}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HG3 ))
ASSI { 423}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HB ))
2.400 2.200 2.200 peak 423 spectrum 1 weight 0.10000E+01 volume 0.33520E-02 ppm1 8.177 ppm2 1.755 CV 1
ASSI { 424}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HG12))
3.000 2.600 2.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.91269E-03 ppm1 8.177 ppm2 1.461 CV 1
ASSI { 425}
(( segid " " and resid 83 and name HN ))
(( segid " " and resid 83 and name HG13))
3.400 3.000 2.600 peak 425 spectrum 1 weight 0.10000E+01 volume 0.39636E-03 ppm1 8.178 ppm2 1.145 CV 1
ASSI { 426}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HG2%)
3.700 3.200 2.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.23406E-03 ppm1 8.178 ppm2 0.832 CV 1
ASSI { 427}
(( segid " " and resid 83 and name HN ))
( segid " " and resid 83 and name HD1%)
2.800 2.500 2.500 peak 427 spectrum 1 weight 0.10000E+01 volume 0.13291E-02 ppm1 8.177 ppm2 0.802 CV 1
ASSI { 428}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA2 ))
2.500 2.300 2.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.25405E-02 ppm1 8.589 ppm2 4.069 CV 1
ASSI { 429}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 84 and name HA1 ))
2.200 2.100 2.100 peak 429 spectrum 1 weight 0.10000E+01 volume 0.51986E-02 ppm1 8.588 ppm2 3.645 CV 1
ASSI { 430}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HD1%)
2.700 2.400 2.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 7.798 ppm2 0.870 CV 1
ASSI { 431}
(( segid " " and resid 85 and name HN ))
( segid " " and resid 85 and name HD2%)
3.100 2.700 2.700 peak 431 spectrum 1 weight 0.10000E+01 volume 0.71860E-03 ppm1 7.798 ppm2 0.827 CV 1
ASSI { 432}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB2 ))
2.900 2.500 2.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 7.798 ppm2 1.683 CV 1
ASSI { 433}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HB3 ))
2.400 2.200 2.200 peak 433 spectrum 1 weight 0.10000E+01 volume 0.34226E-02 ppm1 7.798 ppm2 1.625 CV 1
ASSI { 434}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HA ))
2.500 2.300 2.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.24582E-02 ppm1 8.158 ppm2 4.094 CV 1
ASSI { 435}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 86 and name HB ))
2.400 2.200 2.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.29051E-02 ppm1 8.158 ppm2 2.118 CV 1
ASSI { 436}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HA ))
3.200 2.800 2.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.56455E-03 ppm1 7.762 ppm2 5.371 CV 1
ASSI { 437}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB3 ))
2.700 2.400 2.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 7.762 ppm2 2.517 CV 1
OR { 437}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 87 and name HB2 ))
ASSI { 438}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HA ))
3.700 3.200 2.300 peak 438 spectrum 1 weight 0.10000E+01 volume 0.23758E-03 ppm1 8.070 ppm2 5.069 CV 1
ASSI { 439}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 89 and name HB2 ))
2.700 2.400 2.400 peak 439 spectrum 1 weight 0.10000E+01 volume 0.14584E-02 ppm1 8.068 ppm2 1.879 CV 1
ASSI { 440}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HA ))
3.300 2.900 2.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.49045E-03 ppm1 8.716 ppm2 4.357 CV 1
ASSI { 441}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HB ))
3.500 3.000 2.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.34344E-03 ppm1 8.716 ppm2 1.842 CV 1
ASSI { 442}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HG12))
3.100 2.700 2.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.64925E-03 ppm1 8.715 ppm2 1.334 CV 1
ASSI { 443}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 88 and name HG13))
3.000 2.600 2.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.86213E-03 ppm1 8.716 ppm2 0.891 CV 1
ASSI { 444}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB3 ))
3.200 2.800 2.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.59160E-03 ppm1 9.107 ppm2 2.601 CV 1
ASSI { 445}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HB2 ))
3.300 2.800 2.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.52103E-03 ppm1 9.107 ppm2 2.824 CV 1
ASSI { 446}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 91 and name HA ))
3.600 3.100 2.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.27169E-03 ppm1 8.610 ppm2 4.858 CV 1
ASSI { 447}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 91 and name HG2%)
3.200 2.800 2.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.58808E-03 ppm1 8.610 ppm2 1.049 CV 1
ASSI { 448}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HB ))
2.700 2.400 2.400 peak 448 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 8.295 ppm2 1.581 CV 1
ASSI { 449}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HG12))
3.000 2.600 2.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.83739E-03 ppm1 8.294 ppm2 1.418 CV 1
ASSI { 450}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HG13))
2.800 2.500 2.500 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11609E-02 ppm1 8.297 ppm2 0.970 CV 1
ASSI { 451}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 93 and name HG2%)
4.600 4.100 1.400 peak 451 spectrum 1 weight 0.10000E+01 volume 0.65745E-04 ppm1 8.297 ppm2 0.748 CV 1
ASSI { 452}
(( segid " " and resid 93 and name HN ))
( segid " " and resid 93 and name HD1%)
2.700 2.400 2.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.16701E-02 ppm1 8.297 ppm2 0.754 CV 1
ASSI { 453}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 94 and name HA ))
2.600 2.300 2.300 peak 453 spectrum 1 weight 0.10000E+01 volume 0.21171E-02 ppm1 8.348 ppm2 4.450 CV 1
ASSI { 454}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HB ))
3.500 3.000 2.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.33755E-03 ppm1 8.096 ppm2 1.766 CV 1
ASSI { 455}
(( segid " " and resid 62 and name HD21))
( segid " " and resid 58 and name HG2%)
3.200 2.700 2.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 7.792 ppm2 0.281 CV 1
ASSI { 456}
(( segid " " and resid 62 and name HD22))
( segid " " and resid 58 and name HG2%)
3.300 2.900 2.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.48340E-03 ppm1 7.313 ppm2 0.287 CV 1
ASSI { 457}
(( segid " " and resid 59 and name HN ))
( segid " " and resid 58 and name HG2%)
3.300 2.900 2.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.44811E-03 ppm1 7.420 ppm2 0.289 CV 1
ASSI { 458}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 68 and name HB2 ))
2.900 2.600 2.600 peak 458 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 7.671 ppm2 2.786 CV 1
ASSI { 459}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 67 and name HD1%)
3.400 2.900 2.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 8.678 ppm2 0.904 CV 1
ASSI { 460}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 54 and name HD1%)
4.300 3.800 1.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.98794E-04 ppm1 8.996 ppm2 0.706 CV 1
ASSI { 461}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 29 and name HB3 ))
3.100 2.700 2.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.73038E-03 ppm1 7.485 ppm2 2.647 CV 1
ASSI { 462}
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 68 and name HB2 ))
3.500 3.000 2.500 peak 462 spectrum 1 weight 0.10000E+01 volume 0.33049E-03 ppm1 7.404 ppm2 2.789 CV 1
ASSI { 463}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 89 and name HN ))
3.000 2.600 2.600 peak 463 spectrum 1 weight 0.10000E+01 volume 0.81389E-03 ppm1 8.810 ppm2 8.071 CV 1
ASSI { 464}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HN ))
3.800 3.300 2.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.19759E-03 ppm1 8.810 ppm2 9.248 CV 1
ASSI { 465}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 90 and name HA ))
3.100 2.700 2.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.73276E-03 ppm1 9.108 ppm2 5.833 CV 1
ASSI { 466}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HA ))
2.200 2.100 2.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.51280E-02 ppm1 8.189 ppm2 5.272 CV 1
ASSI { 467}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 51 and name HA ))
3.400 2.900 2.600 peak 467 spectrum 1 weight 0.10000E+01 volume 0.43635E-03 ppm1 8.929 ppm2 5.272 CV 1
ASSI { 468}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
3.200 2.800 2.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.61983E-03 ppm1 8.613 ppm2 4.061 CV 1
ASSI { 469}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.900 2.600 2.600 peak 469 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 8.250 ppm2 4.565 CV 1
ASSI { 470}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA2 ))
2.900 2.500 2.500 peak 470 spectrum 1 weight 0.10000E+01 volume 0.11209E-02 ppm1 8.122 ppm2 3.895 CV 1
ASSI { 471}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HA ))
1.900 1.900 2.000 peak 471 spectrum 1 weight 0.10000E+01 volume 0.11879E-01 ppm1 8.506 ppm2 4.323 CV 1
ASSI { 472}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HG ))
3.500 3.000 2.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.35637E-03 ppm1 7.408 ppm2 1.588 CV 1
ASSI { 473}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HG ))
2.700 2.400 2.400 peak 473 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 7.798 ppm2 1.522 CV 1
ASSI { 474}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 88 and name HG2%)
2.900 2.500 2.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.10997E-02 ppm1 8.715 ppm2 0.716 CV 1
ASSI { 475}
(( segid " " and resid 88 and name HN ))
( segid " " and resid 88 and name HD1%)
4.000 3.500 2.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.15408E-03 ppm1 8.715 ppm2 0.692 CV 1
ASSI { 476}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 89 and name HG3 ))
5.200 4.900 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.31403E-04 ppm1 9.110 ppm2 2.145 CV 1
ASSI { 477}
(( segid " " and resid 32 and name HN ))
(( segid " " and resid 31 and name HB3 ))
3.900 3.400 2.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.18466E-03 ppm1 8.513 ppm2 1.723 CV 1
ASSI { 478}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB3 ))
3.600 3.100 2.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.30227E-03 ppm1 7.376 ppm2 1.804 CV 1
ASSI { 479}
(( segid " " and resid 33 and name HN ))
(( segid " " and resid 32 and name HB2 ))
4.800 4.400 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.50221E-04 ppm1 7.376 ppm2 1.884 CV 1
ASSI { 480}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.900 2.600 2.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.95266E-03 ppm1 7.901 ppm2 4.689 CV 1
ASSI { 481}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.900 2.500 2.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.791 ppm2 4.699 CV 1
ASSI { 482}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HA2 ))
3.700 3.200 2.300 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23641E-03 ppm1 7.901 ppm2 4.045 CV 1
ASSI { 483}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HA1 ))
6.000 6.000 0.000 peak 483 spectrum 1 weight 0.10000E+01 volume 0.47516E-05 ppm1 7.900 ppm2 3.796 CV 1
ASSI { 484}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.800 2.400 2.400 peak 484 spectrum 1 weight 0.10000E+01 volume 0.14231E-02 ppm1 7.901 ppm2 1.854 CV 1
OR { 484}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 485}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HG2 ))
4.000 3.500 2.000 peak 485 spectrum 1 weight 0.10000E+01 volume 0.15878E-03 ppm1 7.901 ppm2 1.465 CV 1
OR { 485}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 486}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.700 2.400 2.400 peak 486 spectrum 1 weight 0.10000E+01 volume 0.16936E-02 ppm1 7.911 ppm2 4.022 CV 1
ASSI { 487}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 35 and name HB3 ))
3.000 2.600 2.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.89033E-03 ppm1 7.525 ppm2 2.637 CV 1
ASSI { 488}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 28 and name HA ))
2.800 2.500 2.500 peak 488 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 8.189 ppm2 5.622 CV 1
ASSI { 489}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB3 ))
2.800 2.500 2.500 peak 489 spectrum 1 weight 0.10000E+01 volume 0.11749E-02 ppm1 8.189 ppm2 2.767 CV 1
OR { 489}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 51 and name HB2 ))
ASSI { 490}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 28 and name HA ))
3.100 2.700 2.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.65864E-03 ppm1 8.937 ppm2 5.611 CV 1
ASSI { 491}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB3 ))
3.700 3.200 2.300 peak 491 spectrum 1 weight 0.10000E+01 volume 0.25405E-03 ppm1 9.249 ppm2 2.734 CV 1
ASSI { 492}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 78 and name HB2 ))
4.200 3.700 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.11879E-03 ppm1 9.248 ppm2 2.943 CV 1
ASSI { 493}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 77 and name HA ))
3.300 2.900 2.700 peak 493 spectrum 1 weight 0.10000E+01 volume 0.43870E-03 ppm1 9.247 ppm2 5.293 CV 1
ASSI { 494}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 78 and name HA ))
2.200 2.100 2.100 peak 494 spectrum 1 weight 0.10000E+01 volume 0.51986E-02 ppm1 8.810 ppm2 5.885 CV 1
ASSI { 495}
(( segid " " and resid 88 and name HN ))
(( segid " " and resid 87 and name HA ))
2.800 2.500 2.500 peak 495 spectrum 1 weight 0.10000E+01 volume 0.13878E-02 ppm1 8.716 ppm2 5.372 CV 1
ASSI { 496}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HG2 ))
3.200 2.800 2.800 peak 496 spectrum 1 weight 0.10000E+01 volume 0.56808E-03 ppm1 8.991 ppm2 1.085 CV 1
ASSI { 497}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HG3 ))
3.500 3.000 2.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.34696E-03 ppm1 8.275 ppm2 1.882 CV 1
ASSI { 498}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HD3 ))
5.000 4.600 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.40460E-04 ppm1 8.180 ppm2 3.529 CV 1
ASSI { 500}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA1 ))
2.200 2.100 2.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.51045E-02 ppm1 8.180 ppm2 3.986 CV 1
ASSI { 501}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.300 2.200 2.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.38107E-02 ppm1 8.180 ppm2 4.091 CV 1
ASSI { 502}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA ))
2.400 2.200 2.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.29168E-02 ppm1 8.121 ppm2 4.325 CV 1
ASSI { 503}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG2 ))
2.600 2.400 2.400 peak 503 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 8.122 ppm2 2.256 CV 1
OR { 503}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HG3 ))
ASSI { 504}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB2 ))
2.300 2.200 2.200 peak 504 spectrum 1 weight 0.10000E+01 volume 0.38813E-02 ppm1 8.121 ppm2 1.907 CV 1
ASSI { 505}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HB3 ))
2.900 2.500 2.500 peak 505 spectrum 1 weight 0.10000E+01 volume 0.11291E-02 ppm1 8.121 ppm2 2.078 CV 1
ASSI { 506}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB3 ))
2.600 2.300 2.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.20465E-02 ppm1 7.901 ppm2 2.752 CV 1
ASSI { 507}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB2 ))
2.800 2.500 2.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 7.901 ppm2 2.837 CV 1
ASSI { 508}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB2 ))
3.600 3.100 2.400 peak 508 spectrum 1 weight 0.10000E+01 volume 0.28228E-03 ppm1 7.791 ppm2 2.846 CV 1
ASSI { 509}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB3 ))
3.400 2.900 2.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.40224E-03 ppm1 7.791 ppm2 2.761 CV 1
ASSI { 510}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HN ))
2.900 2.500 2.500 peak 510 spectrum 1 weight 0.10000E+01 volume 0.11350E-02 ppm1 8.122 ppm2 8.423 CV 1
ASSI { 511}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HB3 ))
3.300 2.800 2.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.51515E-03 ppm1 7.313 ppm2 2.400 CV 1
ASSI { 512}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 62 and name HB2 ))
3.500 3.000 2.500 peak 512 spectrum 1 weight 0.10000E+01 volume 0.32580E-03 ppm1 7.313 ppm2 2.926 CV 1
ASSI { 513}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HB3 ))
3.200 2.800 2.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.60101E-03 ppm1 7.791 ppm2 2.401 CV 1
ASSI { 514}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HB2 ))
3.200 2.800 2.800 peak 514 spectrum 1 weight 0.10000E+01 volume 0.54456E-03 ppm1 7.790 ppm2 2.921 CV 1
ASSI { 515}
(( segid " " and resid 62 and name HD22))
( segid " " and resid 61 and name HD1%)
4.000 3.500 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.14114E-03 ppm1 7.313 ppm2 0.780 CV 1
ASSI { 516}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 58 and name HA ))
3.500 3.000 2.500 peak 516 spectrum 1 weight 0.10000E+01 volume 0.35872E-03 ppm1 7.313 ppm2 3.681 CV 1
ASSI { 517}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 62 and name HD22))
2.200 2.100 2.100 peak 517 spectrum 1 weight 0.10000E+01 volume 0.47987E-02 ppm1 7.793 ppm2 7.308 CV 1
ASSI { 518}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HG2 ))
3.400 3.000 2.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.37637E-03 ppm1 7.257 ppm2 2.405 CV 1
ASSI { 519}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HG2 ))
3.600 3.200 2.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.26464E-03 ppm1 7.345 ppm2 2.406 CV 1
ASSI { 520}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HB2 ))
3.500 3.000 2.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.36225E-03 ppm1 7.256 ppm2 2.028 CV 1
OR { 520}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HB3 ))
ASSI { 521}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HB2 ))
2.900 2.500 2.500 peak 521 spectrum 1 weight 0.10000E+01 volume 0.10785E-02 ppm1 7.552 ppm2 2.702 CV 1
ASSI { 522}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HB2 ))
2.800 2.500 2.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 6.801 ppm2 2.706 CV 1
ASSI { 523}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 35 and name HB2 ))
3.300 2.900 2.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.47046E-03 ppm1 7.523 ppm2 2.851 CV 1
ASSI { 524}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 35 and name HB3 ))
3.300 2.900 2.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.44929E-03 ppm1 6.874 ppm2 2.627 CV 1
ASSI { 525}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HB2 ))
3.200 2.800 2.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.61277E-03 ppm1 6.858 ppm2 2.593 CV 1
ASSI { 526}
(( segid " " and resid 82 and name HE21))
(( segid " " and resid 82 and name HG2 ))
2.700 2.400 2.400 peak 526 spectrum 1 weight 0.10000E+01 volume 0.16113E-02 ppm1 7.430 ppm2 2.267 CV 1
OR { 526}
(( segid " " and resid 82 and name HE21))
(( segid " " and resid 82 and name HG3 ))
ASSI { 527}
(( segid " " and resid 82 and name HE22))
(( segid " " and resid 82 and name HG2 ))
3.300 2.900 2.700 peak 527 spectrum 1 weight 0.10000E+01 volume 0.44576E-03 ppm1 6.777 ppm2 2.270 CV 1
OR { 527}
(( segid " " and resid 82 and name HE22))
(( segid " " and resid 82 and name HG3 ))
ASSI { 528}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HB2 ))
2.600 2.300 2.300 peak 528 spectrum 1 weight 0.10000E+01 volume 0.21876E-02 ppm1 7.283 ppm2 2.511 CV 1
OR { 528}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 87 and name HB3 ))
ASSI { 529}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB3 ))
2.700 2.400 2.400 peak 529 spectrum 1 weight 0.10000E+01 volume 0.16819E-02 ppm1 8.447 ppm2 3.779 CV 1
ASSI { 530}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HB2 ))
3.300 2.900 2.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.47516E-03 ppm1 8.447 ppm2 3.830 CV 1
ASSI { 531}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 38 and name HA ))
2.500 2.300 2.300 peak 531 spectrum 1 weight 0.10000E+01 volume 0.28110E-02 ppm1 8.447 ppm2 4.295 CV 1
ASSI { 532}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HD2 ))
3.600 3.200 2.400 peak 532 spectrum 1 weight 0.10000E+01 volume 0.26933E-03 ppm1 8.197 ppm2 1.606 CV 1
OR { 532}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HD3 ))
ASSI { 533}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 37 and name HG3 ))
3.200 2.800 2.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.53868E-03 ppm1 8.198 ppm2 1.365 CV 1
ASSI { 534}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA1 ))
2.100 2.000 2.000 peak 534 spectrum 1 weight 0.10000E+01 volume 0.73627E-02 ppm1 8.423 ppm2 3.845 CV 1
ASSI { 535}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA2 ))
2.500 2.300 2.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.24699E-02 ppm1 8.423 ppm2 3.894 CV 1
ASSI { 536}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HA ))
2.700 2.400 2.400 peak 536 spectrum 1 weight 0.10000E+01 volume 0.14819E-02 ppm1 7.937 ppm2 4.228 CV 1
ASSI { 537}
(( segid " " and resid 38 and name HN ))
(( segid " " and resid 38 and name HA ))
2.100 2.000 2.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.77392E-02 ppm1 8.198 ppm2 4.293 CV 1
ASSI { 538}
(( segid " " and resid 39 and name HN ))
(( segid " " and resid 39 and name HA1 ))
3.300 2.900 2.700 peak 538 spectrum 1 weight 0.10000E+01 volume 0.45752E-03 ppm1 8.447 ppm2 3.759 CV 1
ASSI { 539}
(( segid " " and resid 40 and name HN ))
( segid " " and resid 40 and name HB% )
4.500 4.000 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.77273E-04 ppm1 7.865 ppm2 1.318 CV 1
ASSI { 540}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB3 ))
2.800 2.500 2.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.13643E-02 ppm1 8.460 ppm2 1.870 CV 1
ASSI { 541}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HB2 ))
3.900 3.400 2.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.18348E-03 ppm1 8.460 ppm2 1.932 CV 1
ASSI { 542}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB3 ))
2.200 2.100 2.100 peak 542 spectrum 1 weight 0.10000E+01 volume 0.56220E-02 ppm1 8.315 ppm2 1.881 CV 1
ASSI { 543}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HG2 ))
3.700 3.200 2.300 peak 543 spectrum 1 weight 0.10000E+01 volume 0.24111E-03 ppm1 8.648 ppm2 1.813 CV 1
OR { 543}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HG3 ))
ASSI { 545}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 53 and name HA ))
3.700 3.200 2.300 peak 545 spectrum 1 weight 0.10000E+01 volume 0.23523E-03 ppm1 7.373 ppm2 4.455 CV 1
ASSI { 546}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HA ))
3.900 3.400 2.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.16701E-03 ppm1 6.861 ppm2 4.454 CV 1
ASSI { 547}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 44 and name HB ))
4.500 4.100 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.72217E-04 ppm1 6.858 ppm2 1.760 CV 1
ASSI { 548}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 66 and name HD3 ))
3.900 3.400 2.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.18701E-03 ppm1 6.725 ppm2 3.458 CV 1
ASSI { 549}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 66 and name HD3 ))
3.400 3.000 2.600 peak 549 spectrum 1 weight 0.10000E+01 volume 0.37754E-03 ppm1 6.967 ppm2 3.458 CV 1
ASSI { 550}
(( segid " " and resid 69 and name HD22))
( segid " " and resid 65 and name HG2%)
3.000 2.700 2.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.77743E-03 ppm1 6.726 ppm2 1.026 CV 1
ASSI { 551}
(( segid " " and resid 69 and name HD21))
( segid " " and resid 65 and name HG2%)
3.200 2.700 2.700 peak 551 spectrum 1 weight 0.10000E+01 volume 0.62336E-03 ppm1 6.967 ppm2 1.027 CV 1
ASSI { 552}
(( segid " " and resid 69 and name HD21))
( segid " " and resid 65 and name HD1%)
4.600 4.100 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.66923E-04 ppm1 6.967 ppm2 0.789 CV 1
ASSI { 553}
(( segid " " and resid 69 and name HD22))
( segid " " and resid 65 and name HD1%)
4.800 4.400 1.200 peak 553 spectrum 1 weight 0.10000E+01 volume 0.49280E-04 ppm1 6.726 ppm2 0.789 CV 1
ASSI { 554}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 69 and name HB2 ))
3.400 2.900 2.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.40695E-03 ppm1 6.727 ppm2 1.836 CV 1
ASSI { 555}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 69 and name HB2 ))
3.600 3.100 2.400 peak 555 spectrum 1 weight 0.10000E+01 volume 0.27287E-03 ppm1 6.967 ppm2 1.835 CV 1
ASSI { 556}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 69 and name HB3 ))
3.400 3.000 2.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.39519E-03 ppm1 6.726 ppm2 2.055 CV 1
ASSI { 557}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 69 and name HB3 ))
4.000 3.500 2.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 6.967 ppm2 2.055 CV 1
ASSI { 558}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 69 and name HD22))
2.000 2.000 2.000 peak 558 spectrum 1 weight 0.10000E+01 volume 0.97622E-02 ppm1 6.967 ppm2 6.726 CV 1
ASSI { 560}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 69 and name HN ))
3.900 3.400 2.100 peak 560 spectrum 1 weight 0.10000E+01 volume 0.17054E-03 ppm1 6.967 ppm2 7.670 CV 1
ASSI { 561}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HB3 ))
3.300 2.900 2.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.46105E-03 ppm1 6.669 ppm2 2.648 CV 1
ASSI { 562}
(( segid " " and resid 29 and name HD22))
(( segid " " and resid 29 and name HB2 ))
3.300 2.900 2.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.48104E-03 ppm1 6.669 ppm2 2.926 CV 1
ASSI { 563}
(( segid " " and resid 68 and name HD22))
(( segid " " and resid 68 and name HB2 ))
3.600 3.100 2.400 peak 563 spectrum 1 weight 0.10000E+01 volume 0.27992E-03 ppm1 6.713 ppm2 2.790 CV 1
ASSI { 564}
(( segid " " and resid 68 and name HD21))
( segid " " and resid 67 and name HG2%)
5.400 5.100 0.600 peak 564 spectrum 1 weight 0.10000E+01 volume 0.25052E-04 ppm1 7.400 ppm2 0.935 CV 1
ASSI { 565}
(( segid " " and resid 68 and name HD22))
( segid " " and resid 67 and name HD1%)
4.300 3.800 1.700 peak 565 spectrum 1 weight 0.10000E+01 volume 0.97503E-04 ppm1 6.712 ppm2 0.903 CV 1
ASSI { 566}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HB2 ))
3.000 2.600 2.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.80800E-03 ppm1 6.693 ppm2 2.511 CV 1
OR { 566}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 87 and name HB3 ))
ASSI { 569}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 34 and name HG3 ))
3.700 3.200 2.300 peak 569 spectrum 1 weight 0.10000E+01 volume 0.23758E-03 ppm1 7.525 ppm2 1.368 CV 1
ASSI { 570}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 34 and name HG3 ))
4.000 3.500 2.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.15172E-03 ppm1 6.872 ppm2 1.368 CV 1
ASSI { 571}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 34 and name HB2 ))
3.800 3.300 2.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.21641E-03 ppm1 7.524 ppm2 1.759 CV 1
ASSI { 572}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 34 and name HB2 ))
3.800 3.300 2.200 peak 572 spectrum 1 weight 0.10000E+01 volume 0.20935E-03 ppm1 6.872 ppm2 1.759 CV 1
ASSI { 573}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 35 and name HB2 ))
3.400 3.000 2.600 peak 573 spectrum 1 weight 0.10000E+01 volume 0.39519E-03 ppm1 6.872 ppm2 2.854 CV 1
ASSI { 574}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 34 and name HA ))
4.000 3.500 2.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.15525E-03 ppm1 7.524 ppm2 3.971 CV 1
ASSI { 575}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 34 and name HA ))
4.400 4.000 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.82097E-04 ppm1 6.872 ppm2 3.970 CV 1
ASSI { 576}
(( segid " " and resid 35 and name HD21))
(( segid " " and resid 35 and name HA ))
3.800 3.300 2.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.22229E-03 ppm1 7.524 ppm2 4.680 CV 1
ASSI { 577}
(( segid " " and resid 35 and name HD22))
(( segid " " and resid 35 and name HA ))
4.100 3.600 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.13291E-03 ppm1 6.872 ppm2 4.680 CV 1
ASSI { 578}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HA ))
3.900 3.400 2.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.18936E-03 ppm1 7.550 ppm2 4.338 CV 1
ASSI { 579}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HA ))
4.400 4.000 1.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.79861E-04 ppm1 6.801 ppm2 4.339 CV 1
ASSI { 580}
(( segid " " and resid 57 and name HD21))
( segid " " and resid 59 and name HD2%)
4.000 3.500 2.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 7.551 ppm2 0.731 CV 1
ASSI { 581}
(( segid " " and resid 57 and name HD22))
( segid " " and resid 59 and name HD2%)
3.900 3.400 2.100 peak 581 spectrum 1 weight 0.10000E+01 volume 0.17054E-03 ppm1 6.801 ppm2 0.731 CV 1
ASSI { 582}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 58 and name HG13))
3.900 3.400 2.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.18701E-03 ppm1 6.803 ppm2 1.118 CV 1
ASSI { 583}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 58 and name HG13))
5.200 4.800 0.800 peak 583 spectrum 1 weight 0.10000E+01 volume 0.32344E-04 ppm1 7.551 ppm2 1.118 CV 1
ASSI { 584}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HB2 ))
4.200 3.800 1.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.10597E-03 ppm1 7.345 ppm2 2.028 CV 1
OR { 584}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HB3 ))
ASSI { 587}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 16 and name HG2 ))
3.600 3.200 2.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.26346E-03 ppm1 6.674 ppm2 2.393 CV 1
ASSI { 588}
(( segid " " and resid 16 and name HE21))
(( segid " " and resid 16 and name HA ))
3.600 3.200 2.400 peak 588 spectrum 1 weight 0.10000E+01 volume 0.26346E-03 ppm1 7.380 ppm2 3.721 CV 1
ASSI { 589}
(( segid " " and resid 16 and name HE22))
( segid " " and resid 25 and name HG2%)
3.000 2.600 2.600 peak 589 spectrum 1 weight 0.10000E+01 volume 0.91977E-03 ppm1 6.675 ppm2 0.793 CV 1
ASSI { 590}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 16 and name HG3 ))
3.000 2.600 2.600 peak 590 spectrum 1 weight 0.10000E+01 volume 0.84685E-03 ppm1 6.674 ppm2 2.136 CV 1
ASSI { 591}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 16 and name HA ))
4.100 3.600 1.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.12585E-03 ppm1 6.675 ppm2 3.733 CV 1
ASSI { 592}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG13))
3.400 2.900 2.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.41047E-03 ppm1 8.135 ppm2 1.092 CV 1
ASSI { 593}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB ))
2.700 2.400 2.400 peak 593 spectrum 1 weight 0.10000E+01 volume 0.15055E-02 ppm1 8.136 ppm2 1.769 CV 1
ASSI { 594}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HG2%)
3.800 3.300 2.200 peak 594 spectrum 1 weight 0.10000E+01 volume 0.21524E-03 ppm1 8.136 ppm2 0.878 CV 1
ASSI { 595}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HG12))
3.300 2.900 2.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.44458E-03 ppm1 8.136 ppm2 1.434 CV 1
ASSI { 596}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HB% )
2.400 2.200 2.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.31991E-02 ppm1 8.275 ppm2 1.276 CV 1
ASSI { 597}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
3.000 2.600 2.600 peak 597 spectrum 1 weight 0.10000E+01 volume 0.93857E-03 ppm1 8.275 ppm2 4.512 CV 1
ASSI { 598}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HD3 ))
3.800 3.300 2.200 peak 598 spectrum 1 weight 0.10000E+01 volume 0.20465E-03 ppm1 8.249 ppm2 3.533 CV 1
ASSI { 599}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HG2 ))
6.000 6.000 0.000 peak 599 spectrum 1 weight 0.10000E+01 volume 0.27757E-05 ppm1 8.249 ppm2 2.506 CV 1
ASSI { 600}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HG3 ))
3.100 2.700 2.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.75625E-03 ppm1 8.249 ppm2 2.544 CV 1
ASSI { 601}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB3 ))
2.700 2.400 2.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.15172E-02 ppm1 8.249 ppm2 2.077 CV 1
ASSI { 602}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.800 2.500 2.500 peak 602 spectrum 1 weight 0.10000E+01 volume 0.11997E-02 ppm1 7.856 ppm2 8.622 CV 1
ASSI { 603}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.200 2.800 2.800 peak 603 spectrum 1 weight 0.10000E+01 volume 0.59631E-03 ppm1 7.856 ppm2 4.200 CV 1
ASSI { 604}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HA ))
2.100 2.100 2.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.68690E-02 ppm1 7.846 ppm2 4.443 CV 1
ASSI { 605}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 12 and name HA ))
3.200 2.800 2.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.59395E-03 ppm1 8.424 ppm2 3.516 CV 1
ASSI { 606}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 12 and name HG2%)
3.100 2.700 2.700 peak 606 spectrum 1 weight 0.10000E+01 volume 0.67512E-03 ppm1 8.423 ppm2 0.842 CV 1
ASSI { 607}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HA1 ))
3.500 3.000 2.500 peak 607 spectrum 1 weight 0.10000E+01 volume 0.34108E-03 ppm1 8.633 ppm2 3.802 CV 1
ASSI { 608}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB2 ))
3.500 3.000 2.500 peak 608 spectrum 1 weight 0.10000E+01 volume 0.34461E-03 ppm1 7.244 ppm2 2.200 CV 1
ASSI { 609}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HB2 ))
5.300 5.000 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.28228E-04 ppm1 8.988 ppm2 1.640 CV 1
ASSI { 610}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HE3 ))
5.200 4.900 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.31991E-04 ppm1 8.988 ppm2 2.849 CV 1
OR { 610}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HE2 ))
ASSI { 611}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 30 and name HA ))
3.600 3.100 2.400 peak 611 spectrum 1 weight 0.10000E+01 volume 0.30345E-03 ppm1 7.704 ppm2 4.542 CV 1
ASSI { 612}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
3.200 2.800 2.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.53750E-03 ppm1 7.704 ppm2 4.807 CV 1
ASSI { 613}
(( segid " " and resid 31 and name HN ))
(( segid " " and resid 30 and name HA ))
2.600 2.300 2.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.20818E-02 ppm1 9.103 ppm2 4.537 CV 1
ASSI { 614}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 33 and name HB3 ))
5.900 5.800 0.100 peak 614 spectrum 1 weight 0.10000E+01 volume 0.15055E-04 ppm1 7.603 ppm2 1.526 CV 1
ASSI { 615}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 31 and name HB3 ))
3.100 2.700 2.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.74097E-03 ppm1 7.603 ppm2 1.729 CV 1
ASSI { 616}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HG3 ))
4.000 3.500 2.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.15643E-03 ppm1 7.713 ppm2 1.370 CV 1
ASSI { 617}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB2 ))
3.300 2.900 2.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.46458E-03 ppm1 7.713 ppm2 1.770 CV 1
OR { 617}
(( segid " " and resid 35 and name HN ))
(( segid " " and resid 34 and name HB3 ))
ASSI { 618}
(( segid " " and resid 37 and name HN ))
(( segid " " and resid 36 and name HB3 ))
3.100 2.700 2.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.70219E-03 ppm1 8.506 ppm2 3.829 CV 1
ASSI { 619}
(( segid " " and resid 41 and name HN ))
(( segid " " and resid 41 and name HA ))
5.100 4.700 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.35637E-04 ppm1 8.460 ppm2 4.136 CV 1
ASSI { 620}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 26 and name HB3 ))
5.200 4.900 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.30932E-04 ppm1 8.188 ppm2 3.451 CV 1
ASSI { 621}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.500 3.000 2.500 peak 621 spectrum 1 weight 0.10000E+01 volume 0.35049E-03 ppm1 8.188 ppm2 3.278 CV 1
ASSI { 622}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 26 and name HA ))
4.100 3.600 1.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.13761E-03 ppm1 8.188 ppm2 5.001 CV 1
ASSI { 623}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HD21))
3.600 3.100 2.400 peak 623 spectrum 1 weight 0.10000E+01 volume 0.28698E-03 ppm1 8.994 ppm2 7.373 CV 1
ASSI { 624}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 53 and name HD22))
3.700 3.200 2.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.24229E-03 ppm1 8.995 ppm2 6.865 CV 1
ASSI { 625}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HD3 ))
4.600 4.200 1.400 peak 625 spectrum 1 weight 0.10000E+01 volume 0.61748E-04 ppm1 8.996 ppm2 1.663 CV 1
ASSI { 626}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 52 and name HB3 ))
5.000 4.700 1.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.37872E-04 ppm1 8.996 ppm2 1.638 CV 1
ASSI { 627}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 55 and name HD2 ))
4.000 3.500 2.000 peak 627 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 7.769 ppm2 4.027 CV 1
ASSI { 628}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HB2 ))
6.000 6.000 0.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.19053E-06 ppm1 8.487 ppm2 2.714 CV 1
ASSI { 629}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 57 and name HB3 ))
5.200 4.800 0.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.32462E-04 ppm1 8.487 ppm2 2.676 CV 1
ASSI { 630}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 57 and name HB3 ))
4.300 3.800 1.700 peak 630 spectrum 1 weight 0.10000E+01 volume 0.10127E-03 ppm1 6.801 ppm2 2.675 CV 1
ASSI { 631}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HB3 ))
3.000 2.700 2.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.78094E-03 ppm1 7.552 ppm2 2.675 CV 1
ASSI { 632}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 57 and name HB3 ))
3.500 3.100 2.500 peak 632 spectrum 1 weight 0.10000E+01 volume 0.31639E-03 ppm1 7.067 ppm2 2.675 CV 1
ASSI { 633}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 56 and name HD1%)
2.900 2.600 2.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.10444E-02 ppm1 8.632 ppm2 0.807 CV 1
ASSI { 634}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 58 and name HG13))
4.000 3.500 2.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.15525E-03 ppm1 7.420 ppm2 1.109 CV 1
ASSI { 635}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 62 and name HB3 ))
4.800 4.400 1.200 peak 635 spectrum 1 weight 0.10000E+01 volume 0.50339E-04 ppm1 6.887 ppm2 2.395 CV 1
ASSI { 636}
(( segid " " and resid 62 and name HN ))
( segid " " and resid 61 and name HG2%)
3.700 3.200 2.300 peak 636 spectrum 1 weight 0.10000E+01 volume 0.23170E-03 ppm1 7.337 ppm2 0.836 CV 1
ASSI { 637}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 63 and name HG3 ))
3.100 2.700 2.700 peak 637 spectrum 1 weight 0.10000E+01 volume 0.69630E-03 ppm1 8.390 ppm2 2.351 CV 1
ASSI { 638}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HG3 ))
3.200 2.800 2.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.54926E-03 ppm1 7.345 ppm2 2.351 CV 1
ASSI { 639}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HG3 ))
2.600 2.400 2.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.17995E-02 ppm1 7.257 ppm2 2.364 CV 1
ASSI { 640}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 64 and name HB3 ))
3.900 3.400 2.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.18818E-03 ppm1 7.408 ppm2 1.645 CV 1
ASSI { 641}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 66 and name HD2 ))
5.300 5.000 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.27640E-04 ppm1 8.648 ppm2 3.484 CV 1
ASSI { 642}
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 68 and name HB3 ))
2.800 2.500 2.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 7.404 ppm2 2.749 CV 1
ASSI { 643}
(( segid " " and resid 68 and name HD22))
(( segid " " and resid 68 and name HB3 ))
3.200 2.800 2.800 peak 643 spectrum 1 weight 0.10000E+01 volume 0.59983E-03 ppm1 6.713 ppm2 2.749 CV 1
ASSI { 644}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HB ))
3.700 3.200 2.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.25405E-03 ppm1 8.678 ppm2 1.558 CV 1
ASSI { 645}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 67 and name HG12))
6.000 6.000 0.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.33403E-05 ppm1 8.679 ppm2 1.556 CV 1
ASSI { 646}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HB3 ))
3.500 3.000 2.500 peak 646 spectrum 1 weight 0.10000E+01 volume 0.35755E-03 ppm1 8.678 ppm2 1.742 CV 1
ASSI { 647}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HB2 ))
3.500 3.000 2.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.36578E-03 ppm1 8.678 ppm2 2.141 CV 1
ASSI { 648}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HD2 ))
4.000 3.500 2.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.15525E-03 ppm1 8.680 ppm2 3.485 CV 1
ASSI { 649}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 67 and name HG12))
4.200 3.800 1.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10550E-03 ppm1 7.762 ppm2 1.554 CV 1
ASSI { 650}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 67 and name HD1%)
3.700 3.300 2.300 peak 650 spectrum 1 weight 0.10000E+01 volume 0.22465E-03 ppm1 7.762 ppm2 0.897 CV 1
ASSI { 652}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 73 and name HB3 ))
4.200 3.700 1.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.10938E-03 ppm1 9.200 ppm2 2.140 CV 1
ASSI { 653}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 72 and name HA ))
2.700 2.400 2.400 peak 653 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 6.987 ppm2 4.568 CV 1
ASSI { 654}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 71 and name HB3 ))
3.300 2.900 2.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.48222E-03 ppm1 6.987 ppm2 2.429 CV 1
ASSI { 655}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 74 and name HA ))
3.100 2.700 2.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.76214E-03 ppm1 8.270 ppm2 4.482 CV 1
ASSI { 656}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 93 and name HA ))
3.200 2.800 2.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.61159E-03 ppm1 8.297 ppm2 4.070 CV 1
ASSI { 657}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HG3 ))
2.900 2.500 2.500 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 8.316 ppm2 2.261 CV 1
ASSI { 658}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 81 and name HB2 ))
3.100 2.700 2.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.69743E-03 ppm1 8.316 ppm2 2.191 CV 1
ASSI { 659}
(( segid " " and resid 84 and name HN ))
(( segid " " and resid 83 and name HA ))
2.200 2.100 2.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.59278E-02 ppm1 8.590 ppm2 3.916 CV 1
ASSI { 660}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 85 and name HA ))
2.600 2.400 2.400 peak 660 spectrum 1 weight 0.10000E+01 volume 0.18230E-02 ppm1 7.798 ppm2 4.566 CV 1
ASSI { 661}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 85 and name HB3 ))
2.500 2.300 2.300 peak 661 spectrum 1 weight 0.10000E+01 volume 0.23288E-02 ppm1 8.158 ppm2 1.631 CV 1
ASSI { 662}
(( segid " " and resid 87 and name HN ))
( segid " " and resid 86 and name HG2%)
4.900 4.500 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.46105E-04 ppm1 7.762 ppm2 0.883 CV 1
ASSI { 663}
(( segid " " and resid 89 and name HN ))
( segid " " and resid 88 and name HD1%)
4.900 4.500 1.100 peak 663 spectrum 1 weight 0.10000E+01 volume 0.46340E-04 ppm1 8.067 ppm2 0.692 CV 1
ASSI { 664}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 81 and name HB3 ))
4.200 3.700 1.800 peak 664 spectrum 1 weight 0.10000E+01 volume 0.12114E-03 ppm1 8.290 ppm2 1.882 CV 1
ASSI { 665}
(( segid " " and resid 7 and name HN ))
( segid " " and resid 5 and name HB% )
3.700 3.200 2.300 peak 665 spectrum 1 weight 0.10000E+01 volume 0.24111E-03 ppm1 8.424 ppm2 1.276 CV 1
ASSI { 666}
(( segid " " and resid 8 and name HN ))
( segid " " and resid 5 and name HB% )
3.200 2.800 2.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.60454E-03 ppm1 8.122 ppm2 1.278 CV 1
ASSI { 667}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 67 and name HB ))
3.300 2.900 2.700 peak 667 spectrum 1 weight 0.10000E+01 volume 0.45752E-03 ppm1 8.478 ppm2 1.545 CV 1
ASSI { 668}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 13 and name HA ))
3.300 2.900 2.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.48693E-03 ppm1 8.472 ppm2 4.194 CV 1
ASSI { 670}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 25 and name HG2%)
3.800 3.300 2.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.20818E-03 ppm1 7.902 ppm2 0.797 CV 1
ASSI { 671}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 54 and name HG13))
3.500 3.000 2.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.33285E-03 ppm1 9.165 ppm2 1.142 CV 1
ASSI { 672}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 54 and name HG12))
3.200 2.800 2.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.58808E-03 ppm1 9.165 ppm2 1.471 CV 1
ASSI { 673}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 75 and name HG2%)
3.800 3.300 2.200 peak 673 spectrum 1 weight 0.10000E+01 volume 0.19171E-03 ppm1 8.937 ppm2 0.893 CV 1
ASSI { 674}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 53 and name HA ))
3.000 2.600 2.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.80800E-03 ppm1 9.165 ppm2 4.461 CV 1
ASSI { 676}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 52 and name HN ))
2.900 2.600 2.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.94565E-03 ppm1 9.167 ppm2 8.190 CV 1
ASSI { 677}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 74 and name HN ))
3.100 2.700 2.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.67982E-03 ppm1 8.935 ppm2 8.266 CV 1
ASSI { 678}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 50 and name HB2 ))
3.800 3.300 2.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.20230E-03 ppm1 8.925 ppm2 2.079 CV 1
OR { 678}
(( segid " " and resid 29 and name HN ))
(( segid " " and resid 50 and name HB3 ))
ASSI { 679}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 35 and name HA ))
4.200 3.800 1.800 peak 679 spectrum 1 weight 0.10000E+01 volume 0.10538E-03 ppm1 7.603 ppm2 4.682 CV 1
ASSI { 680}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB3 ))
2.500 2.300 2.300 peak 680 spectrum 1 weight 0.10000E+01 volume 0.26699E-02 ppm1 7.937 ppm2 2.066 CV 1
OR { 680}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HB2 ))
ASSI { 681}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG3 ))
2.400 2.200 2.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.33049E-02 ppm1 7.937 ppm2 2.367 CV 1
OR { 681}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 50 and name HG2 ))
ASSI { 682}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 47 and name HN ))
3.500 3.000 2.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.34344E-03 ppm1 7.937 ppm2 8.208 CV 1
ASSI { 683}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 29 and name HN ))
4.900 4.500 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.46458E-04 ppm1 7.937 ppm2 8.925 CV 1
ASSI { 684}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 26 and name HA ))
4.000 3.500 2.000 peak 684 spectrum 1 weight 0.10000E+01 volume 0.15408E-03 ppm1 8.995 ppm2 4.999 CV 1
ASSI { 685}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.400 3.000 2.600 peak 685 spectrum 1 weight 0.10000E+01 volume 0.36931E-03 ppm1 8.631 ppm2 2.304 CV 1
ASSI { 686}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 57 and name HA ))
3.500 3.100 2.500 peak 686 spectrum 1 weight 0.10000E+01 volume 0.32344E-03 ppm1 8.148 ppm2 4.331 CV 1
ASSI { 687}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 59 and name HA ))
3.600 3.200 2.400 peak 687 spectrum 1 weight 0.10000E+01 volume 0.26699E-03 ppm1 7.337 ppm2 3.700 CV 1
ASSI { 689}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HA ))
3.800 3.300 2.200 peak 689 spectrum 1 weight 0.10000E+01 volume 0.22111E-03 ppm1 7.838 ppm2 4.302 CV 1
ASSI { 690}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 58 and name HA ))
3.400 3.000 2.600 peak 690 spectrum 1 weight 0.10000E+01 volume 0.37637E-03 ppm1 7.790 ppm2 3.680 CV 1
ASSI { 691}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 69 and name HD22))
3.100 2.700 2.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.69160E-03 ppm1 7.671 ppm2 6.724 CV 1
ASSI { 692}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 67 and name HG2%)
3.900 3.400 2.100 peak 692 spectrum 1 weight 0.10000E+01 volume 0.16819E-03 ppm1 7.671 ppm2 0.935 CV 1
ASSI { 693}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 67 and name HD1%)
3.200 2.800 2.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.56337E-03 ppm1 7.153 ppm2 0.898 CV 1
ASSI { 694}
(( segid " " and resid 73 and name HN ))
( segid " " and resid 75 and name HG2%)
3.700 3.200 2.300 peak 694 spectrum 1 weight 0.10000E+01 volume 0.25405E-03 ppm1 6.986 ppm2 0.882 CV 1
ASSI { 695}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG13))
4.000 3.500 2.000 peak 695 spectrum 1 weight 0.10000E+01 volume 0.14231E-03 ppm1 8.094 ppm2 1.116 CV 1
ASSI { 696}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 12 and name HG1%)
4.200 3.700 1.800 peak 696 spectrum 1 weight 0.10000E+01 volume 0.11256E-03 ppm1 7.856 ppm2 1.054 CV 1
ASSI { 697}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.100 2.700 2.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.66334E-03 ppm1 8.423 ppm2 1.846 CV 1
OR { 697}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 698}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 14 and name HA ))
2.700 2.400 2.400 peak 698 spectrum 1 weight 0.10000E+01 volume 0.15643E-02 ppm1 8.009 ppm2 4.136 CV 1
ASSI { 699}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 35 and name HA ))
3.000 2.600 2.600 peak 699 spectrum 1 weight 0.10000E+01 volume 0.81389E-03 ppm1 7.493 ppm2 4.681 CV 1
ASSI { 700}
(( segid " " and resid 36 and name HN ))
(( segid " " and resid 36 and name HA ))
3.100 2.700 2.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.76803E-03 ppm1 7.495 ppm2 4.318 CV 1
ASSI { 701}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 47 and name HD1%)
3.000 2.700 2.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.79153E-03 ppm1 7.937 ppm2 0.833 CV 1
ASSI { 702}
(( segid " " and resid 50 and name HN ))
( segid " " and resid 47 and name HD2%)
3.200 2.800 2.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.56220E-03 ppm1 7.937 ppm2 0.733 CV 1
ASSI { 704}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HA ))
3.200 2.800 2.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.58219E-03 ppm1 7.408 ppm2 3.803 CV 1
ASSI { 705}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 66 and name HD2 ))
3.800 3.300 2.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.19171E-03 ppm1 7.408 ppm2 3.484 CV 1
ASSI { 706}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HA ))
4.200 3.700 1.800 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12114E-03 ppm1 7.412 ppm2 5.108 CV 1
ASSI { 707}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB2 ))
3.400 3.000 2.600 peak 707 spectrum 1 weight 0.10000E+01 volume 0.37754E-03 ppm1 7.410 ppm2 2.920 CV 1
ASSI { 708}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HA ))
3.700 3.200 2.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.25052E-03 ppm1 7.762 ppm2 4.564 CV 1
ASSI { 709}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB2 ))
2.500 2.300 2.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.23758E-02 ppm1 7.847 ppm2 3.740 CV 1
OR { 709}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HB3 ))
ASSI { 711}
(( segid " " and resid 16 and name HE22))
( segid " " and resid 60 and name HG2%)
3.500 3.000 2.500 peak 711 spectrum 1 weight 0.10000E+01 volume 0.36343E-03 ppm1 6.675 ppm2 1.134 CV 1
ASSI { 712}
(( segid " " and resid 16 and name HE21))
( segid " " and resid 25 and name HG2%)
2.900 2.500 2.500 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 7.383 ppm2 0.793 CV 1
ASSI { 713}
(( segid " " and resid 62 and name HD21))
(( segid " " and resid 61 and name HG12))
3.800 3.300 2.200 peak 713 spectrum 1 weight 0.10000E+01 volume 0.21524E-03 ppm1 7.790 ppm2 1.373 CV 1
ASSI { 714}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 61 and name HG12))
3.700 3.200 2.300 peak 714 spectrum 1 weight 0.10000E+01 volume 0.24934E-03 ppm1 7.313 ppm2 1.373 CV 1
ASSI { 715}
(( segid " " and resid 62 and name HD21))
( segid " " and resid 61 and name HD1%)
3.300 2.900 2.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.45635E-03 ppm1 7.791 ppm2 0.781 CV 1
ASSI { 716}
(( segid " " and resid 82 and name HE21))
( segid " " and resid 24 and name HG1%)
4.000 3.500 2.000 peak 716 spectrum 1 weight 0.10000E+01 volume 0.16231E-03 ppm1 7.431 ppm2 0.683 CV 1
ASSI { 717}
(( segid " " and resid 82 and name HE21))
( segid " " and resid 56 and name HG2%)
4.400 3.900 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.90799E-04 ppm1 7.431 ppm2 0.847 CV 1
ASSI { 718}
(( segid " " and resid 82 and name HE22))
( segid " " and resid 24 and name HG1%)
4.700 4.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.55867E-04 ppm1 6.777 ppm2 0.683 CV 1
ASSI { 719}
(( segid " " and resid 82 and name HE22))
( segid " " and resid 56 and name HG2%)
4.900 4.500 1.100 peak 719 spectrum 1 weight 0.10000E+01 volume 0.44458E-04 ppm1 6.777 ppm2 0.848 CV 1
ASSI { 720}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 26 and name HA ))
2.600 2.300 2.300 peak 720 spectrum 1 weight 0.10000E+01 volume 0.19877E-02 ppm1 7.769 ppm2 5.001 CV 1
ASSI { 721}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 13 and name HB2 ))
4.600 4.200 1.400 peak 721 spectrum 1 weight 0.10000E+01 volume 0.61512E-04 ppm1 8.479 ppm2 3.738 CV 1
ASSI { 722}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 82 and name HB2 ))
3.000 2.700 2.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.79391E-03 ppm1 8.535 ppm2 2.027 CV 1
ASSI { 723}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 94 and name HB3 ))
2.400 2.200 2.200 peak 723 spectrum 1 weight 0.10000E+01 volume 0.31521E-02 ppm1 7.847 ppm2 1.581 CV 1
ASSI { 724}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 16 and name HB2 ))
4.400 4.000 1.600 peak 724 spectrum 1 weight 0.10000E+01 volume 0.81859E-04 ppm1 6.674 ppm2 2.202 CV 1
ASSI { 726}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HB3 ))
3.500 3.000 2.500 peak 726 spectrum 1 weight 0.10000E+01 volume 0.35990E-03 ppm1 7.838 ppm2 1.645 CV 1
ASSI { 727}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 64 and name HG ))
3.400 3.000 2.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.38695E-03 ppm1 7.838 ppm2 1.589 CV 1
ASSI { 728}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 65 and name HG2%)
4.100 3.600 1.900 peak 728 spectrum 1 weight 0.10000E+01 volume 0.12820E-03 ppm1 7.671 ppm2 1.027 CV 1
ASSI { 729}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 67 and name HD1%)
3.800 3.300 2.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.21641E-03 ppm1 7.671 ppm2 0.895 CV 1
ASSI { 730}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 85 and name HD2%)
4.100 3.600 1.900 peak 730 spectrum 1 weight 0.10000E+01 volume 0.12820E-03 ppm1 8.534 ppm2 0.831 CV 1
ASSI { 731}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 77 and name HB2 ))
3.800 3.300 2.200 peak 731 spectrum 1 weight 0.10000E+01 volume 0.21876E-03 ppm1 9.118 ppm2 2.715 CV 1
ASSI { 732}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 77 and name HB3 ))
3.700 3.200 2.300 peak 732 spectrum 1 weight 0.10000E+01 volume 0.23170E-03 ppm1 9.118 ppm2 2.619 CV 1
ASSI { 733}
(( segid " " and resid 29 and name HD21))
(( segid " " and resid 29 and name HB2 ))
2.800 2.500 2.500 peak 733 spectrum 1 weight 0.10000E+01 volume 0.13055E-02 ppm1 7.485 ppm2 2.925 CV 1
ASSI { 734}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HG2 ))
4.200 3.700 1.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.11115E-03 ppm1 8.678 ppm2 1.812 CV 1
OR { 734}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 66 and name HG3 ))
ASSI { 735}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 76 and name HA ))
4.500 4.000 1.500 peak 735 spectrum 1 weight 0.10000E+01 volume 0.76452E-04 ppm1 9.439 ppm2 5.233 CV 1
ASSI { 736}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 54 and name HD1%)
3.600 3.100 2.400 peak 736 spectrum 1 weight 0.10000E+01 volume 0.27404E-03 ppm1 9.165 ppm2 0.712 CV 1
ASSI { 737}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 54 and name HB ))
4.800 4.300 1.200 peak 737 spectrum 1 weight 0.10000E+01 volume 0.53750E-04 ppm1 9.165 ppm2 1.494 CV 1
ASSI { 738}
(( segid " " and resid 27 and name HN ))
( segid " " and resid 54 and name HG2%)
3.100 2.700 2.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.69862E-03 ppm1 9.165 ppm2 0.743 CV 1
ASSI { 740}
(( segid " " and resid 16 and name HE21))
(( segid " " and resid 16 and name HB3 ))
4.000 3.500 2.000 peak 740 spectrum 1 weight 0.10000E+01 volume 0.15878E-03 ppm1 7.379 ppm2 1.962 CV 1
ASSI { 741}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 16 and name HB3 ))
4.900 4.500 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.47046E-04 ppm1 6.674 ppm2 1.957 CV 1
ASSI { 742}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HB2 ))
5.900 5.800 0.100 peak 742 spectrum 1 weight 0.10000E+01 volume 0.14937E-04 ppm1 8.613 ppm2 3.912 CV 1
ASSI { 743}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 77 and name HB2 ))
3.800 3.300 2.200 peak 743 spectrum 1 weight 0.10000E+01 volume 0.21524E-03 ppm1 8.988 ppm2 2.718 CV 1
ASSI { 744}
(( segid " " and resid 63 and name HE21))
( segid " " and resid 60 and name HG2%)
3.800 3.300 2.200 peak 744 spectrum 1 weight 0.10000E+01 volume 0.20700E-03 ppm1 7.256 ppm2 1.131 CV 1
ASSI { 745}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 11 and name HA ))
4.900 4.600 1.100 peak 745 spectrum 1 weight 0.10000E+01 volume 0.42459E-04 ppm1 8.422 ppm2 4.572 CV 1
ASSI { 746}
(( segid " " and resid 53 and name HD22))
(( segid " " and resid 53 and name HB3 ))
3.900 3.400 2.100 peak 746 spectrum 1 weight 0.10000E+01 volume 0.16466E-03 ppm1 6.858 ppm2 2.558 CV 1
ASSI { 747}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 4 and name HD2 ))
3.900 3.400 2.100 peak 747 spectrum 1 weight 0.10000E+01 volume 0.17172E-03 ppm1 6.967 ppm2 3.811 CV 1
ASSI { 748}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 69 and name HA ))
4.400 3.900 1.600 peak 748 spectrum 1 weight 0.10000E+01 volume 0.83507E-04 ppm1 6.967 ppm2 4.063 CV 1
ASSI { 750}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 4 and name HD2 ))
5.300 5.000 0.700 peak 750 spectrum 1 weight 0.10000E+01 volume 0.29051E-04 ppm1 6.726 ppm2 3.812 CV 1
ASSI { 751}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 69 and name HA ))
4.500 4.000 1.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.75976E-04 ppm1 6.725 ppm2 4.063 CV 1
ASSI { 753}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 57 and name HN ))
5.900 5.900 0.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.14349E-04 ppm1 7.551 ppm2 8.625 CV 1
ASSI { 755}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 62 and name HA ))
3.200 2.800 2.800 peak 755 spectrum 1 weight 0.10000E+01 volume 0.53044E-03 ppm1 8.390 ppm2 5.100 CV 1
ASSI { 756}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 54 and name HG12))
4.000 3.500 2.000 peak 756 spectrum 1 weight 0.10000E+01 volume 0.15408E-03 ppm1 9.439 ppm2 1.461 CV 1
ASSI { 757}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 58 and name HG12))
4.600 4.100 1.400 peak 757 spectrum 1 weight 0.10000E+01 volume 0.69160E-04 ppm1 6.801 ppm2 1.323 CV 1
ASSI { 758}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 58 and name HG12))
6.000 6.000 0.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.29756E-05 ppm1 7.551 ppm2 1.323 CV 1
ASSI { 759}
(( segid " " and resid 57 and name HD22))
(( segid " " and resid 56 and name HB ))
4.800 4.400 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.51751E-04 ppm1 6.801 ppm2 1.831 CV 1
ASSI { 760}
(( segid " " and resid 57 and name HD21))
(( segid " " and resid 56 and name HB ))
5.100 4.700 0.900 peak 760 spectrum 1 weight 0.10000E+01 volume 0.35990E-04 ppm1 7.551 ppm2 1.831 CV 1
ASSI { 761}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 77 and name HA ))
3.600 3.100 2.400 peak 761 spectrum 1 weight 0.10000E+01 volume 0.28581E-03 ppm1 8.988 ppm2 5.294 CV 1
ASSI { 762}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 78 and name HA ))
6.000 6.000 0.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.50339E-05 ppm1 8.988 ppm2 5.885 CV 1
ASSI { 763}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.000 2.600 2.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.91739E-03 ppm1 8.009 ppm2 1.854 CV 1
ASSI { 764}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 23 and name HN ))
3.600 3.200 2.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.26816E-03 ppm1 8.226 ppm2 7.242 CV 1
ASSI { 765}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 26 and name HB3 ))
4.400 3.900 1.600 peak 765 spectrum 1 weight 0.10000E+01 volume 0.90210E-04 ppm1 8.996 ppm2 3.452 CV 1
ASSI { 766}
(( segid " " and resid 53 and name HN ))
(( segid " " and resid 26 and name HB2 ))
4.600 4.100 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.68803E-04 ppm1 8.996 ppm2 3.277 CV 1
ASSI { 767}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 26 and name HB2 ))
3.900 3.400 2.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.17290E-03 ppm1 7.769 ppm2 3.275 CV 1
ASSI { 768}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 26 and name HB3 ))
3.300 2.800 2.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.50692E-03 ppm1 7.769 ppm2 3.458 CV 1
ASSI { 769}
(( segid " " and resid 52 and name HN ))
(( segid " " and resid 28 and name HB3 ))
4.700 4.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.56102E-04 ppm1 8.188 ppm2 2.461 CV 1
ASSI { 770}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HA ))
6.000 6.000 0.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.58572E-05 ppm1 7.937 ppm2 5.271 CV 1
ASSI { 771}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HB2 ))
4.300 3.800 1.700 peak 771 spectrum 1 weight 0.10000E+01 volume 0.98913E-04 ppm1 7.937 ppm2 2.763 CV 1
OR { 771}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 51 and name HB3 ))
ASSI { 772}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 54 and name HD1%)
3.500 3.100 2.500 peak 772 spectrum 1 weight 0.10000E+01 volume 0.32109E-03 ppm1 8.188 ppm2 0.708 CV 1
ASSI { 773}
(( segid " " and resid 52 and name HN ))
( segid " " and resid 54 and name HG2%)
5.400 5.200 0.600 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24582E-04 ppm1 8.188 ppm2 0.749 CV 1
ASSI { 774}
(( segid " " and resid 53 and name HN ))
( segid " " and resid 54 and name HG2%)
3.800 3.300 2.200 peak 774 spectrum 1 weight 0.10000E+01 volume 0.20583E-03 ppm1 8.996 ppm2 0.749 CV 1
ASSI { 775}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 61 and name HG12))
4.000 3.500 2.000 peak 775 spectrum 1 weight 0.10000E+01 volume 0.14937E-03 ppm1 8.390 ppm2 1.373 CV 1
ASSI { 776}
(( segid " " and resid 95 and name HN ))
( segid " " and resid 94 and name HD1%)
2.800 2.500 2.500 peak 776 spectrum 1 weight 0.10000E+01 volume 0.14114E-02 ppm1 7.847 ppm2 0.834 CV 1
ASSI { 777}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 88 and name HA ))
2.900 2.500 2.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 8.067 ppm2 4.357 CV 1
ASSI { 778}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HB2 ))
3.200 2.700 2.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.62688E-03 ppm1 7.762 ppm2 1.683 CV 1
ASSI { 779}
(( segid " " and resid 87 and name HN ))
(( segid " " and resid 85 and name HB3 ))
3.800 3.300 2.200 peak 779 spectrum 1 weight 0.10000E+01 volume 0.19994E-03 ppm1 7.762 ppm2 1.624 CV 1
ASSI { 780}
(( segid " " and resid 91 and name HN ))
(( segid " " and resid 76 and name HA ))
3.800 3.300 2.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.21876E-03 ppm1 8.610 ppm2 5.232 CV 1
ASSI { 781}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HB3 ))
3.700 3.200 2.300 peak 781 spectrum 1 weight 0.10000E+01 volume 0.25170E-03 ppm1 8.158 ppm2 2.512 CV 1
OR { 781}
(( segid " " and resid 86 and name HN ))
(( segid " " and resid 87 and name HB2 ))
ASSI { 782}
(( segid " " and resid 91 and name HN ))
( segid " " and resid 24 and name HG1%)
4.100 3.600 1.900 peak 782 spectrum 1 weight 0.10000E+01 volume 0.13761E-03 ppm1 8.610 ppm2 0.677 CV 1
ASSI { 784}
(( segid " " and resid 78 and name HN ))
( segid " " and resid 24 and name HG1%)
4.500 4.000 1.500 peak 784 spectrum 1 weight 0.10000E+01 volume 0.78451E-04 ppm1 9.247 ppm2 0.677 CV 1
ASSI { 785}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 79 and name HB3 ))
4.400 3.900 1.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.84096E-04 ppm1 8.988 ppm2 3.986 CV 1
ASSI { 786}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 88 and name HA ))
3.000 2.700 2.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.79040E-03 ppm1 8.810 ppm2 4.357 CV 1
ASSI { 787}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 24 and name HG1%)
2.800 2.500 2.500 peak 787 spectrum 1 weight 0.10000E+01 volume 0.12937E-02 ppm1 8.810 ppm2 0.676 CV 1
ASSI { 788}
(( segid " " and resid 79 and name HN ))
( segid " " and resid 88 and name HG2%)
4.100 3.600 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.12702E-03 ppm1 8.810 ppm2 0.713 CV 1
ASSI { 789}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 89 and name HB3 ))
4.100 3.600 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.12702E-03 ppm1 8.810 ppm2 1.712 CV 1
ASSI { 790}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 23 and name HG2 ))
4.500 4.000 1.500 peak 790 spectrum 1 weight 0.10000E+01 volume 0.76095E-04 ppm1 8.810 ppm2 1.085 CV 1
ASSI { 791}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 23 and name HD3 ))
4.200 3.700 1.800 peak 791 spectrum 1 weight 0.10000E+01 volume 0.11350E-03 ppm1 8.810 ppm2 1.477 CV 1
OR { 791}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 792}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 23 and name HG3 ))
4.600 4.200 1.400 peak 792 spectrum 1 weight 0.10000E+01 volume 0.63747E-04 ppm1 8.810 ppm2 1.321 CV 1
ASSI { 793}
(( segid " " and resid 78 and name HN ))
(( segid " " and resid 24 and name HN ))
4.700 4.300 1.300 peak 793 spectrum 1 weight 0.10000E+01 volume 0.55984E-04 ppm1 9.248 ppm2 8.988 CV 1
ASSI { 794}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 79 and name HA ))
3.300 2.900 2.700 peak 794 spectrum 1 weight 0.10000E+01 volume 0.44341E-03 ppm1 8.988 ppm2 4.452 CV 1
ASSI { 795}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 89 and name HG3 ))
4.100 3.600 1.900 peak 795 spectrum 1 weight 0.10000E+01 volume 0.13878E-03 ppm1 8.810 ppm2 2.144 CV 1
ASSI { 796}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 89 and name HG2 ))
4.200 3.700 1.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.12114E-03 ppm1 8.810 ppm2 2.198 CV 1
ASSI { 797}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 88 and name HG2%)
3.200 2.800 2.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.59866E-03 ppm1 8.534 ppm2 0.716 CV 1
ASSI { 798}
(( segid " " and resid 81 and name HN ))
(( segid " " and resid 24 and name HA ))
3.800 3.300 2.200 peak 798 spectrum 1 weight 0.10000E+01 volume 0.21876E-03 ppm1 8.316 ppm2 4.389 CV 1
ASSI { 799}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HA ))
3.700 3.200 2.300 peak 799 spectrum 1 weight 0.10000E+01 volume 0.23406E-03 ppm1 7.671 ppm2 4.229 CV 1
ASSI { 800}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 67 and name HA ))
5.800 5.700 0.200 peak 800 spectrum 1 weight 0.10000E+01 volume 0.15878E-04 ppm1 7.760 ppm2 4.227 CV 1
ASSI { 801}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HA ))
3.500 3.000 2.500 peak 801 spectrum 1 weight 0.10000E+01 volume 0.34579E-03 ppm1 7.760 ppm2 4.447 CV 1
ASSI { 802}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HD22))
3.800 3.300 2.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.21994E-03 ppm1 8.680 ppm2 6.719 CV 1
ASSI { 804}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 70 and name HD% )
3.800 3.400 2.200 peak 804 spectrum 1 weight 0.10000E+01 volume 0.19053E-03 ppm1 8.678 ppm2 7.124 CV 1
OR { 804}
(( segid " " and resid 68 and name HN ))
( segid " " and resid 70 and name HE% )
ASSI { 805}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 70 and name HD% )
4.500 4.000 1.500 peak 805 spectrum 1 weight 0.10000E+01 volume 0.78213E-04 ppm1 8.648 ppm2 7.120 CV 1
OR { 805}
(( segid " " and resid 67 and name HN ))
( segid " " and resid 70 and name HE% )
ASSI { 806}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 69 and name HN ))
5.000 4.700 1.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.37754E-04 ppm1 8.648 ppm2 7.671 CV 1
ASSI { 807}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 23 and name HG2 ))
3.500 3.000 2.500 peak 807 spectrum 1 weight 0.10000E+01 volume 0.34226E-03 ppm1 8.288 ppm2 1.089 CV 1
ASSI { 808}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 23 and name HD2 ))
4.700 4.300 1.300 peak 808 spectrum 1 weight 0.10000E+01 volume 0.57278E-04 ppm1 8.290 ppm2 1.478 CV 1
OR { 808}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 810}
(( segid " " and resid 80 and name HN ))
(( segid " " and resid 24 and name HA ))
3.000 2.600 2.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.83858E-03 ppm1 8.290 ppm2 4.390 CV 1
ASSI { 811}
(( segid " " and resid 80 and name HN ))
( segid " " and resid 24 and name HG1%)
3.100 2.700 2.700 peak 811 spectrum 1 weight 0.10000E+01 volume 0.74216E-03 ppm1 8.290 ppm2 0.681 CV 1
ASSI { 813}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 80 and name HN ))
4.300 3.800 1.700 peak 813 spectrum 1 weight 0.10000E+01 volume 0.98681E-04 ppm1 8.988 ppm2 8.287 CV 1
ASSI { 814}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 88 and name HB ))
3.200 2.700 2.700 peak 814 spectrum 1 weight 0.10000E+01 volume 0.63158E-03 ppm1 8.809 ppm2 1.844 CV 1
ASSI { 815}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 91 and name HG2%)
5.100 4.800 0.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.33755E-04 ppm1 9.110 ppm2 1.049 CV 1
ASSI { 816}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 88 and name HG12))
4.300 3.800 1.700 peak 816 spectrum 1 weight 0.10000E+01 volume 0.93976E-04 ppm1 9.109 ppm2 1.330 CV 1
ASSI { 817}
(( segid " " and resid 90 and name HN ))
(( segid " " and resid 88 and name HN ))
3.800 3.300 2.200 peak 817 spectrum 1 weight 0.10000E+01 volume 0.19407E-03 ppm1 9.109 ppm2 8.716 CV 1
ASSI { 818}
(( segid " " and resid 79 and name HN ))
(( segid " " and resid 90 and name HA ))
3.200 2.800 2.800 peak 818 spectrum 1 weight 0.10000E+01 volume 0.61983E-03 ppm1 8.810 ppm2 5.831 CV 1
ASSI { 819}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 27 and name HA ))
3.000 2.600 2.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.81740E-03 ppm1 9.165 ppm2 5.182 CV 1
ASSI { 820}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 52 and name HD3 ))
3.800 3.300 2.200 peak 820 spectrum 1 weight 0.10000E+01 volume 0.21406E-03 ppm1 9.165 ppm2 1.673 CV 1
ASSI { 821}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 54 and name HD1%)
3.400 2.900 2.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.42224E-03 ppm1 8.937 ppm2 0.706 CV 1
ASSI { 823}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 54 and name HD1%)
4.000 3.500 2.000 peak 823 spectrum 1 weight 0.10000E+01 volume 0.14114E-03 ppm1 7.153 ppm2 0.708 CV 1
ASSI { 824}
(( segid " " and resid 71 and name HN ))
( segid " " and resid 54 and name HG2%)
6.000 6.000 0.000 peak 824 spectrum 1 weight 0.10000E+01 volume 0.70570E-05 ppm1 7.154 ppm2 0.741 CV 1
ASSI { 825}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 47 and name HG ))
3.400 2.900 2.600 peak 825 spectrum 1 weight 0.10000E+01 volume 0.41047E-03 ppm1 7.937 ppm2 1.532 CV 1
ASSI { 826}
(( segid " " and resid 50 and name HN ))
(( segid " " and resid 47 and name HB2 ))
3.300 2.900 2.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.46811E-03 ppm1 7.937 ppm2 1.610 CV 1
ASSI { 828}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 52 and name HG3 ))
4.700 4.300 1.300 peak 828 spectrum 1 weight 0.10000E+01 volume 0.54926E-04 ppm1 8.034 ppm2 1.377 CV 1
OR { 828}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 52 and name HG2 ))
ASSI { 829}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 88 and name HD1%)
3.100 2.700 2.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.69981E-03 ppm1 9.110 ppm2 0.693 CV 1
ASSI { 830}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 42 and name HG2%)
6.000 6.000 0.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.76684E-06 ppm1 9.110 ppm2 0.714 CV 1
ASSI { 831}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 70 and name HD% )
3.100 2.700 2.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.74097E-03 ppm1 7.671 ppm2 7.117 CV 1
ASSI { 832}
(( segid " " and resid 93 and name HN ))
(( segid " " and resid 76 and name HA ))
2.700 2.400 2.400 peak 832 spectrum 1 weight 0.10000E+01 volume 0.17407E-02 ppm1 8.295 ppm2 5.227 CV 1
ASSI { 833}
(( segid " " and resid 53 and name HD21))
( segid " " and resid 24 and name HG1%)
2.800 2.500 2.500 peak 833 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 7.372 ppm2 0.679 CV 1
ASSI { 834}
(( segid " " and resid 53 and name HD21))
( segid " " and resid 24 and name HG2%)
5.400 5.100 0.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.24934E-04 ppm1 7.372 ppm2 0.707 CV 1
ASSI { 836}
(( segid " " and resid 53 and name HD22))
( segid " " and resid 24 and name HG2%)
5.000 4.600 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.41871E-04 ppm1 6.858 ppm2 0.708 CV 1
ASSI { 837}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 74 and name HB ))
3.300 2.900 2.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.48457E-03 ppm1 8.937 ppm2 3.907 CV 1
ASSI { 838}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 75 and name HA ))
3.200 2.800 2.800 peak 838 spectrum 1 weight 0.10000E+01 volume 0.57043E-03 ppm1 8.937 ppm2 4.321 CV 1
ASSI { 839}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 54 and name HG2%)
3.600 3.200 2.400 peak 839 spectrum 1 weight 0.10000E+01 volume 0.26933E-03 ppm1 7.760 ppm2 0.744 CV 1
ASSI { 840}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 54 and name HD1%)
6.000 6.000 0.000 peak 840 spectrum 1 weight 0.10000E+01 volume 0.18230E-05 ppm1 7.760 ppm2 0.720 CV 1
ASSI { 842}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 73 and name HB3 ))
3.400 3.000 2.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.39519E-03 ppm1 8.937 ppm2 2.135 CV 1
ASSI { 844}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 30 and name HN ))
5.100 4.800 0.900 peak 844 spectrum 1 weight 0.10000E+01 volume 0.33520E-04 ppm1 8.266 ppm2 7.703 CV 1
ASSI { 846}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HB3 ))
5.200 4.800 0.800 peak 846 spectrum 1 weight 0.10000E+01 volume 0.32932E-04 ppm1 7.760 ppm2 2.758 CV 1
ASSI { 849}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 54 and name HG12))
4.600 4.200 1.400 peak 849 spectrum 1 weight 0.10000E+01 volume 0.64217E-04 ppm1 8.786 ppm2 1.472 CV 1
ASSI { 851}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 80 and name HA1 ))
6.000 6.000 0.000 peak 851 spectrum 1 weight 0.10000E+01 volume 0.10468E-04 ppm1 8.786 ppm2 3.775 CV 1
ASSI { 852}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 77 and name HA ))
5.200 4.900 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.31873E-04 ppm1 8.786 ppm2 5.305 CV 1
ASSI { 854}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 54 and name HN ))
6.000 6.000 0.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.13643E-04 ppm1 8.786 ppm2 7.777 CV 1
ASSI { 855}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HB2 ))
4.500 4.100 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.70219E-04 ppm1 7.759 ppm2 2.789 CV 1
ASSI { 856}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HB2 ))
5.100 4.700 0.900 peak 856 spectrum 1 weight 0.10000E+01 volume 0.37284E-04 ppm1 7.760 ppm2 2.895 CV 1
ASSI { 857}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 93 and name HD1%)
3.700 3.200 2.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.22817E-03 ppm1 8.423 ppm2 0.754 CV 1
OR { 857}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 93 and name HG2%)
ASSI { 859}
(( segid " " and resid 63 and name HN ))
( segid " " and resid 64 and name HD1%)
4.200 3.700 1.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.10914E-03 ppm1 7.838 ppm2 0.870 CV 1
ASSI { 861}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB3 ))
3.900 3.400 2.100 peak 861 spectrum 1 weight 0.10000E+01 volume 0.18348E-03 ppm1 8.365 ppm2 2.662 CV 1
ASSI { 862}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HA ))
4.300 3.800 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.10339E-03 ppm1 8.093 ppm2 4.052 CV 1
ASSI { 863}
(( segid " " and resid 45 and name HN ))
(( segid " " and resid 45 and name HB2 ))
5.800 5.700 0.200 peak 863 spectrum 1 weight 0.10000E+01 volume 0.16231E-04 ppm1 8.365 ppm2 2.725 CV 1
ASSI { 864}
(( segid " " and resid 44 and name HN ))
(( segid " " and resid 44 and name HG12))
4.200 3.700 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11585E-03 ppm1 8.093 ppm2 1.397 CV 1
ASSI { 865}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 66 and name HD3 ))
4.500 4.000 1.500 peak 865 spectrum 1 weight 0.10000E+01 volume 0.79391E-04 ppm1 7.671 ppm2 3.450 CV 1
ASSI { 866}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HB3 ))
4.900 4.500 1.100 peak 866 spectrum 1 weight 0.10000E+01 volume 0.45282E-04 ppm1 7.671 ppm2 2.539 CV 1
ASSI { 867}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HB2 ))
6.000 6.000 0.000 peak 867 spectrum 1 weight 0.10000E+01 volume 0.11761E-04 ppm1 7.671 ppm2 3.413 CV 1
ASSI { 868}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 92 and name HB3 ))
4.200 3.700 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.11761E-03 ppm1 7.847 ppm2 1.793 CV 1
ASSI { 869}
(( segid " " and resid 95 and name HN ))
(( segid " " and resid 95 and name HA ))
2.700 2.400 2.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.15290E-02 ppm1 7.847 ppm2 4.135 CV 1
ASSI { 870}
(( segid " " and resid 63 and name HE21))
(( segid " " and resid 63 and name HN ))
4.300 3.800 1.700 peak 870 spectrum 1 weight 0.10000E+01 volume 0.98443E-04 ppm1 7.257 ppm2 7.837 CV 1
ASSI { 871}
(( segid " " and resid 63 and name HE22))
(( segid " " and resid 63 and name HN ))
4.700 4.200 1.300 peak 871 spectrum 1 weight 0.10000E+01 volume 0.59631E-04 ppm1 7.345 ppm2 7.837 CV 1
ASSI { 872}
(( segid " " and resid 63 and name HE21))
( segid " " and resid 64 and name HD2%)
3.000 2.600 2.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.85036E-03 ppm1 7.257 ppm2 0.797 CV 1
ASSI { 873}
(( segid " " and resid 63 and name HE21))
( segid " " and resid 64 and name HD1%)
3.700 3.200 2.300 peak 873 spectrum 1 weight 0.10000E+01 volume 0.23993E-03 ppm1 7.257 ppm2 0.870 CV 1
ASSI { 874}
(( segid " " and resid 63 and name HE22))
( segid " " and resid 64 and name HD1%)
4.300 3.800 1.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.10515E-03 ppm1 7.345 ppm2 0.870 CV 1
ASSI { 875}
(( segid " " and resid 63 and name HE22))
( segid " " and resid 64 and name HD2%)
2.900 2.500 2.500 peak 875 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 7.345 ppm2 0.797 CV 1
ASSI { 876}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 79 and name HB3 ))
3.700 3.200 2.300 peak 876 spectrum 1 weight 0.10000E+01 volume 0.24464E-03 ppm1 8.067 ppm2 3.985 CV 1
ASSI { 877}
(( segid " " and resid 89 and name HN ))
(( segid " " and resid 90 and name HA ))
6.000 6.000 0.000 peak 877 spectrum 1 weight 0.10000E+01 volume 0.74917E-05 ppm1 8.067 ppm2 5.833 CV 1
ASSI { 878}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HN ))
3.700 3.200 2.300 peak 878 spectrum 1 weight 0.10000E+01 volume 0.24699E-03 ppm1 7.420 ppm2 8.631 CV 1
ASSI { 879}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HA ))
3.700 3.200 2.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.23406E-03 ppm1 7.420 ppm2 4.337 CV 1
ASSI { 880}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HB3 ))
4.700 4.300 1.300 peak 880 spectrum 1 weight 0.10000E+01 volume 0.57043E-04 ppm1 7.420 ppm2 2.674 CV 1
ASSI { 881}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 57 and name HB2 ))
6.000 6.000 0.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.11644E-04 ppm1 7.420 ppm2 2.715 CV 1
ASSI { 882}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 55 and name HB2 ))
3.800 3.300 2.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.19407E-03 ppm1 7.068 ppm2 2.305 CV 1
ASSI { 883}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 59 and name HG ))
3.900 3.400 2.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.16819E-03 ppm1 7.068 ppm2 1.569 CV 1
ASSI { 884}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 58 and name HG13))
4.300 3.800 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.10491E-03 ppm1 8.632 ppm2 1.106 CV 1
ASSI { 885}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 61 and name HG12))
5.000 4.700 1.000 peak 885 spectrum 1 weight 0.10000E+01 volume 0.38578E-04 ppm1 7.420 ppm2 1.376 CV 1
ASSI { 886}
(( segid " " and resid 60 and name HN ))
(( segid " " and resid 61 and name HG12))
4.900 4.500 1.100 peak 886 spectrum 1 weight 0.10000E+01 volume 0.44458E-04 ppm1 8.150 ppm2 1.376 CV 1
ASSI { 887}
(( segid " " and resid 57 and name HN ))
( segid " " and resid 58 and name HG2%)
5.700 5.600 0.300 peak 887 spectrum 1 weight 0.10000E+01 volume 0.17877E-04 ppm1 8.632 ppm2 0.287 CV 1
ASSI { 888}
(( segid " " and resid 60 and name HN ))
( segid " " and resid 58 and name HG2%)
5.200 4.900 0.800 peak 888 spectrum 1 weight 0.10000E+01 volume 0.29874E-04 ppm1 8.150 ppm2 0.290 CV 1
ASSI { 889}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 55 and name HB2 ))
4.400 3.900 1.600 peak 889 spectrum 1 weight 0.10000E+01 volume 0.86915E-04 ppm1 7.420 ppm2 2.304 CV 1
ASSI { 890}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 59 and name HA ))
4.100 3.600 1.900 peak 890 spectrum 1 weight 0.10000E+01 volume 0.13878E-03 ppm1 6.888 ppm2 3.699 CV 1
ASSI { 891}
(( segid " " and resid 59 and name HN ))
(( segid " " and resid 60 and name HB ))
4.200 3.700 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.11256E-03 ppm1 7.420 ppm2 4.108 CV 1
ASSI { 893}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 62 and name HB3 ))
3.400 2.900 2.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.42341E-03 ppm1 7.408 ppm2 2.408 CV 1
ASSI { 894}
(( segid " " and resid 64 and name HN ))
(( segid " " and resid 62 and name HB2 ))
4.900 4.500 1.100 peak 894 spectrum 1 weight 0.10000E+01 volume 0.46458E-04 ppm1 8.389 ppm2 2.927 CV 1
ASSI { 895}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 60 and name HA ))
4.200 3.700 1.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.11032E-03 ppm1 7.337 ppm2 3.818 CV 1
ASSI { 898}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 55 and name HA ))
5.000 4.600 1.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.40812E-04 ppm1 8.632 ppm2 4.241 CV 1
ASSI { 899}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 61 and name HG12))
4.400 3.900 1.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.83739E-04 ppm1 7.838 ppm2 1.382 CV 1
ASSI { 900}
(( segid " " and resid 63 and name HN ))
(( segid " " and resid 3 and name HG13))
4.400 4.000 1.600 peak 900 spectrum 1 weight 0.10000E+01 volume 0.79861E-04 ppm1 7.838 ppm2 1.092 CV 1
ASSI { 901}
(( segid " " and resid 62 and name HN ))
(( segid " " and resid 3 and name HG13))
4.200 3.700 1.800 peak 901 spectrum 1 weight 0.10000E+01 volume 0.11656E-03 ppm1 7.337 ppm2 1.092 CV 1
ASSI { 904}
(( segid " " and resid 58 and name HN ))
( segid " " and resid 59 and name HD2%)
3.600 3.200 2.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.26464E-03 ppm1 7.068 ppm2 0.732 CV 1
ASSI { 905}
(( segid " " and resid 61 and name HN ))
(( segid " " and resid 63 and name HN ))
4.500 4.000 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.78921E-04 ppm1 6.888 ppm2 7.840 CV 1
ASSI { 906}
(( segid " " and resid 58 and name HN ))
(( segid " " and resid 60 and name HN ))
4.400 3.900 1.600 peak 906 spectrum 1 weight 0.10000E+01 volume 0.84328E-04 ppm1 7.067 ppm2 8.151 CV 1
ASSI { 907}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 60 and name HN ))
4.100 3.600 1.900 peak 907 spectrum 1 weight 0.10000E+01 volume 0.12467E-03 ppm1 8.632 ppm2 8.151 CV 1
ASSI { 908}
(( segid " " and resid 57 and name HN ))
(( segid " " and resid 57 and name HD22))
4.200 3.700 1.800 peak 908 spectrum 1 weight 0.10000E+01 volume 0.10950E-03 ppm1 8.632 ppm2 6.803 CV 1
ASSI { 909}
(( segid " " and resid 56 and name HN ))
(( segid " " and resid 58 and name HN ))
4.900 4.500 1.100 peak 909 spectrum 1 weight 0.10000E+01 volume 0.45399E-04 ppm1 8.487 ppm2 7.064 CV 1
ASSI { 910}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 68 and name HD21))
4.600 4.200 1.400 peak 910 spectrum 1 weight 0.10000E+01 volume 0.63509E-04 ppm1 8.678 ppm2 7.406 CV 1
ASSI { 911}
(( segid " " and resid 65 and name HN ))
(( segid " " and resid 63 and name HN ))
5.900 5.800 0.100 peak 911 spectrum 1 weight 0.10000E+01 volume 0.14937E-04 ppm1 7.409 ppm2 7.836 CV 1
ASSI { 913}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 68 and name HN ))
3.500 3.000 2.500 peak 913 spectrum 1 weight 0.10000E+01 volume 0.35284E-03 ppm1 7.763 ppm2 8.687 CV 1
ASSI { 914}
(( segid " " and resid 62 and name HD22))
(( segid " " and resid 61 and name HG13))
4.100 3.600 1.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.13761E-03 ppm1 7.312 ppm2 1.195 CV 1
ASSI { 915}
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 66 and name HG2 ))
4.800 4.300 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.53868E-04 ppm1 7.404 ppm2 1.812 CV 1
ASSI { 916}
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 68 and name HA ))
5.200 4.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.32697E-04 ppm1 7.404 ppm2 4.437 CV 1
ASSI { 917}
(( segid " " and resid 68 and name HD21))
(( segid " " and resid 69 and name HA ))
5.000 4.600 1.000 peak 917 spectrum 1 weight 0.10000E+01 volume 0.40460E-04 ppm1 7.404 ppm2 4.062 CV 1
ASSI { 918}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 4 and name HD2 ))
5.200 4.800 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.32580E-04 ppm1 7.671 ppm2 3.802 CV 1
ASSI { 919}
(( segid " " and resid 70 and name HN ))
(( segid " " and resid 71 and name HA ))
4.000 3.500 2.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.14584E-03 ppm1 7.763 ppm2 4.935 CV 1
ASSI { 920}
(( segid " " and resid 87 and name HD21))
(( segid " " and resid 88 and name HN ))
5.000 4.600 1.000 peak 920 spectrum 1 weight 0.10000E+01 volume 0.40342E-04 ppm1 7.280 ppm2 8.716 CV 1
ASSI { 921}
(( segid " " and resid 87 and name HD22))
(( segid " " and resid 88 and name HN ))
5.600 5.400 0.400 peak 921 spectrum 1 weight 0.10000E+01 volume 0.20935E-04 ppm1 6.693 ppm2 8.716 CV 1
ASSI { 922}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HB2 ))
5.600 5.400 0.400 peak 922 spectrum 1 weight 0.10000E+01 volume 0.20348E-04 ppm1 7.282 ppm2 2.120 CV 1
OR { 922}
(( segid " " and resid 17 and name HE21))
(( segid " " and resid 17 and name HB3 ))
ASSI { 923}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 47 and name HD2%)
3.800 3.300 2.200 peak 923 spectrum 1 weight 0.10000E+01 volume 0.19524E-03 ppm1 7.893 ppm2 0.734 CV 1
ASSI { 924}
(( segid " " and resid 49 and name HN ))
( segid " " and resid 47 and name HD1%)
5.700 5.500 0.300 peak 924 spectrum 1 weight 0.10000E+01 volume 0.18701E-04 ppm1 7.892 ppm2 0.833 CV 1
ASSI { 925}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 64 and name HA ))
3.800 3.300 2.200 peak 925 spectrum 1 weight 0.10000E+01 volume 0.19289E-03 ppm1 8.621 ppm2 4.489 CV 1
ASSI { 926}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 12 and name HA ))
4.200 3.700 1.800 peak 926 spectrum 1 weight 0.10000E+01 volume 0.11150E-03 ppm1 8.472 ppm2 3.509 CV 1
ASSI { 927}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HB3 ))
4.200 3.700 1.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.11291E-03 ppm1 7.901 ppm2 2.118 CV 1
OR { 927}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 928}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 16 and name HN ))
5.300 5.000 0.700 peak 928 spectrum 1 weight 0.10000E+01 volume 0.27874E-04 ppm1 7.910 ppm2 8.462 CV 1
ASSI { 929}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HB2 ))
3.800 3.300 2.200 peak 929 spectrum 1 weight 0.10000E+01 volume 0.19171E-03 ppm1 8.633 ppm2 1.640 CV 1
ASSI { 930}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 68 and name HD22))
4.800 4.400 1.200 peak 930 spectrum 1 weight 0.10000E+01 volume 0.52221E-04 ppm1 8.180 ppm2 6.713 CV 1
ASSI { 931}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 68 and name HB3 ))
5.800 5.800 0.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.15525E-04 ppm1 8.180 ppm2 2.750 CV 1
ASSI { 932}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 68 and name HB2 ))
6.000 6.000 0.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.95974E-05 ppm1 8.180 ppm2 2.789 CV 1
ASSI { 933}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HN ))
4.300 3.800 1.700 peak 933 spectrum 1 weight 0.10000E+01 volume 0.94796E-04 ppm1 8.612 ppm2 8.132 CV 1
ASSI { 934}
(( segid " " and resid 9 and name HN ))
( segid " " and resid 67 and name HG2%)
5.400 5.200 0.600 peak 934 spectrum 1 weight 0.10000E+01 volume 0.24699E-04 ppm1 8.180 ppm2 0.936 CV 1
ASSI { 935}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 68 and name HD22))
4.100 3.600 1.900 peak 935 spectrum 1 weight 0.10000E+01 volume 0.13878E-03 ppm1 8.424 ppm2 6.713 CV 1
ASSI { 936}
(( segid " " and resid 46 and name HN ))
(( segid " " and resid 47 and name HA ))
3.300 2.800 2.700 peak 936 spectrum 1 weight 0.10000E+01 volume 0.51986E-03 ppm1 8.034 ppm2 4.324 CV 1
ASSI { 937}
(( segid " " and resid 90 and name HN ))
( segid " " and resid 44 and name HD1%)
3.400 2.900 2.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.43282E-03 ppm1 9.110 ppm2 0.821 CV 1
ASSI { 938}
(( segid " " and resid 53 and name HD21))
(( segid " " and resid 44 and name HB ))
4.300 3.800 1.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.99971E-04 ppm1 7.372 ppm2 1.760 CV 1
ASSI { 939}
(( segid " " and resid 69 and name HN ))
( segid " " and resid 65 and name HD1%)
4.200 3.700 1.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.11115E-03 ppm1 7.670 ppm2 0.789 CV 1
ASSI { 940}
(( segid " " and resid 71 and name HN ))
(( segid " " and resid 67 and name HG12))
4.300 3.800 1.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.10374E-03 ppm1 7.153 ppm2 1.553 CV 1
ASSI { 941}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HG12))
3.800 3.300 2.200 peak 941 spectrum 1 weight 0.10000E+01 volume 0.19289E-03 ppm1 7.671 ppm2 1.553 CV 1
OR { 941}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 67 and name HB ))
ASSI { 943}
(( segid " " and resid 62 and name HD22))
( segid " " and resid 61 and name HG2%)
4.800 4.300 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.53397E-04 ppm1 7.313 ppm2 0.837 CV 1
ASSI { 944}
(( segid " " and resid 62 and name HD21))
( segid " " and resid 61 and name HG2%)
5.000 4.700 1.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.38342E-04 ppm1 7.791 ppm2 0.837 CV 1
ASSI { 945}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 59 and name HD1%)
4.700 4.300 1.300 peak 945 spectrum 1 weight 0.10000E+01 volume 0.55750E-04 ppm1 8.472 ppm2 0.468 CV 1
ASSI { 946}
(( segid " " and resid 16 and name HE22))
( segid " " and resid 59 and name HD1%)
5.200 4.900 0.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.30109E-04 ppm1 6.675 ppm2 0.468 CV 1
ASSI { 947}
(( segid " " and resid 16 and name HE21))
( segid " " and resid 59 and name HD1%)
5.700 5.600 0.300 peak 947 spectrum 1 weight 0.10000E+01 volume 0.17642E-04 ppm1 7.379 ppm2 0.468 CV 1
ASSI { 948}
(( segid " " and resid 16 and name HE22))
(( segid " " and resid 59 and name HB3 ))
4.100 3.600 1.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.13878E-03 ppm1 6.675 ppm2 1.178 CV 1
ASSI { 949}
(( segid " " and resid 16 and name HE21))
(( segid " " and resid 59 and name HB3 ))
6.000 6.000 0.000 peak 949 spectrum 1 weight 0.10000E+01 volume 0.39636E-05 ppm1 7.383 ppm2 1.178 CV 1
ASSI { 951}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 93 and name HD1%)
3.600 3.100 2.400 peak 951 spectrum 1 weight 0.10000E+01 volume 0.30697E-03 ppm1 8.472 ppm2 0.756 CV 1
OR { 951}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 93 and name HG2%)
ASSI { 952}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 15 and name HB% )
3.200 2.800 2.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.53515E-03 ppm1 8.009 ppm2 1.353 CV 1
ASSI { 953}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HG2 ))
3.600 3.100 2.400 peak 953 spectrum 1 weight 0.10000E+01 volume 0.29051E-03 ppm1 8.009 ppm2 1.465 CV 1
OR { 953}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HG3 ))
ASSI { 954}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HD2 ))
5.300 5.000 0.700 peak 954 spectrum 1 weight 0.10000E+01 volume 0.27404E-04 ppm1 8.009 ppm2 1.607 CV 1
OR { 954}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HD3 ))
ASSI { 956}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HB2 ))
4.900 4.500 1.100 peak 956 spectrum 1 weight 0.10000E+01 volume 0.45046E-04 ppm1 7.791 ppm2 1.640 CV 1
ASSI { 957}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HB3 ))
5.400 5.200 0.600 peak 957 spectrum 1 weight 0.10000E+01 volume 0.23993E-04 ppm1 7.791 ppm2 1.493 CV 1
ASSI { 958}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HG3 ))
5.000 4.600 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.40577E-04 ppm1 7.791 ppm2 1.329 CV 1
ASSI { 959}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HD3 ))
6.000 6.000 0.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.12820E-04 ppm1 7.791 ppm2 1.476 CV 1
OR { 959}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 23 and name HD2 ))
ASSI { 960}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 92 and name HB2 ))
3.600 3.100 2.400 peak 960 spectrum 1 weight 0.10000E+01 volume 0.29051E-03 ppm1 8.346 ppm2 2.001 CV 1
ASSI { 961}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 92 and name HB3 ))
4.500 4.100 1.500 peak 961 spectrum 1 weight 0.10000E+01 volume 0.70331E-04 ppm1 8.346 ppm2 1.788 CV 1
ASSI { 962}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 18 and name HB3 ))
4.200 3.700 1.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.11738E-03 ppm1 8.346 ppm2 1.853 CV 1
OR { 962}
(( segid " " and resid 94 and name HN ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 964}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 29 and name HB3 ))
3.600 3.100 2.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.29168E-03 ppm1 8.268 ppm2 2.644 CV 1
ASSI { 965}
(( segid " " and resid 42 and name HN ))
( segid " " and resid 40 and name HB% )
4.600 4.200 1.400 peak 965 spectrum 1 weight 0.10000E+01 volume 0.64568E-04 ppm1 8.106 ppm2 1.309 CV 1
ASSI { 967}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 27 and name HA ))
6.000 6.000 0.000 peak 967 spectrum 1 weight 0.10000E+01 volume 0.55161E-05 ppm1 8.271 ppm2 5.169 CV 1
ASSI { 968}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HN ))
3.700 3.200 2.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.24934E-03 ppm1 8.250 ppm2 7.854 CV 1
ASSI { 969}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.700 2.400 2.400 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15408E-02 ppm1 8.250 ppm2 2.149 CV 1
ASSI { 970}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 54 and name HN ))
4.000 3.500 2.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.14584E-03 ppm1 9.439 ppm2 7.771 CV 1
ASSI { 971}
(( segid " " and resid 34 and name HN ))
( segid " " and resid 74 and name HG2%)
5.600 5.400 0.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.20348E-04 ppm1 7.603 ppm2 0.977 CV 1
ASSI { 972}
(( segid " " and resid 34 and name HN ))
(( segid " " and resid 32 and name HN ))
4.800 4.300 1.200 peak 972 spectrum 1 weight 0.10000E+01 volume 0.52927E-04 ppm1 7.603 ppm2 8.511 CV 1
ASSI { 973}
(( segid " " and resid 68 and name HD22))
(( segid " " and resid 69 and name HA ))
5.800 5.700 0.200 peak 973 spectrum 1 weight 0.10000E+01 volume 0.16349E-04 ppm1 6.712 ppm2 4.061 CV 1
ASSI { 974}
(( segid " " and resid 54 and name HN ))
(( segid " " and resid 27 and name HN ))
4.000 3.500 2.000 peak 974 spectrum 1 weight 0.10000E+01 volume 0.15408E-03 ppm1 7.769 ppm2 9.164 CV 1
ASSI { 976}
(( segid " " and resid 69 and name HN ))
(( segid " " and resid 70 and name HA ))
4.600 4.200 1.400 peak 976 spectrum 1 weight 0.10000E+01 volume 0.61748E-04 ppm1 7.671 ppm2 4.601 CV 1
ASSI { 978}
(( segid " " and resid 82 and name HN ))
( segid " " and resid 85 and name HD1%)
5.100 4.700 0.900 peak 978 spectrum 1 weight 0.10000E+01 volume 0.35872E-04 ppm1 8.534 ppm2 0.871 CV 1
ASSI { 979}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 83 and name HA ))
4.800 4.400 1.200 peak 979 spectrum 1 weight 0.10000E+01 volume 0.48104E-04 ppm1 7.798 ppm2 3.912 CV 1
ASSI { 980}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HB2 ))
4.700 4.300 1.300 peak 980 spectrum 1 weight 0.10000E+01 volume 0.58101E-04 ppm1 7.798 ppm2 2.027 CV 1
ASSI { 981}
(( segid " " and resid 85 and name HN ))
(( segid " " and resid 82 and name HB3 ))
5.000 4.600 1.000 peak 981 spectrum 1 weight 0.10000E+01 volume 0.41165E-04 ppm1 7.798 ppm2 1.832 CV 1
ASSI { 982}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 85 and name HB2 ))
5.000 4.600 1.000 peak 982 spectrum 1 weight 0.10000E+01 volume 0.40342E-04 ppm1 8.534 ppm2 1.683 CV 1
ASSI { 983}
(( segid " " and resid 82 and name HN ))
(( segid " " and resid 85 and name HB3 ))
4.300 3.800 1.700 peak 983 spectrum 1 weight 0.10000E+01 volume 0.10174E-03 ppm1 8.534 ppm2 1.631 CV 1
ASSI { 984}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 10 and name HD3 ))
5.100 4.800 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.33873E-04 ppm1 8.648 ppm2 3.528 CV 1
ASSI { 985}
(( segid " " and resid 68 and name HN ))
(( segid " " and resid 10 and name HD3 ))
5.100 4.800 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.34696E-04 ppm1 8.680 ppm2 3.527 CV 1
ASSI { 986}
(( segid " " and resid 67 and name HN ))
(( segid " " and resid 11 and name HA ))
3.200 2.800 2.800 peak 986 spectrum 1 weight 0.10000E+01 volume 0.57631E-03 ppm1 8.648 ppm2 4.563 CV 1
ASSI { 987}
(( segid " " and resid 69 and name HD21))
(( segid " " and resid 66 and name HD2 ))
6.000 6.000 0.000 peak 987 spectrum 1 weight 0.10000E+01 volume 0.96914E-05 ppm1 6.967 ppm2 3.484 CV 1
ASSI { 988}
(( segid " " and resid 69 and name HD22))
(( segid " " and resid 66 and name HD2 ))
4.500 4.000 1.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.78683E-04 ppm1 6.725 ppm2 3.484 CV 1
ASSI { 989}
(( segid " " and resid 74 and name HN ))
(( segid " " and resid 29 and name HA ))
3.400 2.900 2.600 peak 989 spectrum 1 weight 0.10000E+01 volume 0.40577E-03 ppm1 8.271 ppm2 4.807 CV 1
ASSI { 990}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 27 and name HA ))
4.100 3.600 1.900 peak 990 spectrum 1 weight 0.10000E+01 volume 0.13996E-03 ppm1 9.118 ppm2 5.182 CV 1
ASSI { 991}
(( segid " " and resid 76 and name HN ))
(( segid " " and resid 26 and name HN ))
3.400 2.900 2.600 peak 991 spectrum 1 weight 0.10000E+01 volume 0.41988E-03 ppm1 9.118 ppm2 9.440 CV 1
ASSI { 992}
(( segid " " and resid 73 and name HN ))
(( segid " " and resid 27 and name HB3 ))
4.700 4.300 1.300 peak 992 spectrum 1 weight 0.10000E+01 volume 0.57867E-04 ppm1 6.987 ppm2 2.636 CV 1
ASSI { 993}
(( segid " " and resid 72 and name HN ))
(( segid " " and resid 27 and name HB3 ))
4.700 4.300 1.300 peak 993 spectrum 1 weight 0.10000E+01 volume 0.53985E-04 ppm1 9.198 ppm2 2.636 CV 1
ASSI { 995}
(( segid " " and resid 68 and name HD21))
( segid " " and resid 3 and name HG2%)
6.000 6.000 0.000 peak 995 spectrum 1 weight 0.10000E+01 volume 0.20348E-05 ppm1 7.400 ppm2 0.877 CV 1
ASSI { 996}
(( segid " " and resid 70 and name HN ))
( segid " " and resid 70 and name HD% )
3.900 3.400 2.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.18818E-03 ppm1 7.760 ppm2 7.123 CV 1
ASSI { 2}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB3 ))
2.300 2.200 2.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.66547E-02 ppm1 5.001 ppm2 3.456 CV 1
ASSI { 3}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 26 and name HB2 ))
2.400 2.200 2.200 peak 3 spectrum 1 weight 0.10000E+01 volume 0.65965E-02 ppm1 5.001 ppm2 3.281 CV 1
ASSI { 4}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HA ))
3.100 2.700 2.700 peak 4 spectrum 1 weight 0.10000E+01 volume 0.24167E-02 ppm1 3.932 ppm2 4.562 CV 1
ASSI { 5}
(( segid " " and resid 11 and name HB3 ))
(( segid " " and resid 11 and name HA ))
3.200 2.800 2.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10624E-02 ppm1 4.224 ppm2 4.562 CV 1
ASSI { 6}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 12 and name HB ))
2.400 2.200 2.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.87560E-02 ppm1 1.054 ppm2 2.358 CV 1
ASSI { 7}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 12 and name HA ))
2.900 2.500 2.500 peak 7 spectrum 1 weight 0.10000E+01 volume 0.47574E-02 ppm1 1.053 ppm2 3.504 CV 1
ASSI { 9}
(( segid " " and resid 12 and name HB ))
( segid " " and resid 12 and name HG2%)
2.400 2.200 2.200 peak 9 spectrum 1 weight 0.10000E+01 volume 0.89308E-02 ppm1 2.357 ppm2 0.842 CV 1
ASSI { 10}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 12 and name HG2%)
2.600 2.400 2.400 peak 10 spectrum 1 weight 0.10000E+01 volume 0.10799E-01 ppm1 3.511 ppm2 0.842 CV 1
ASSI { 12}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 12 and name HB ))
2.300 2.100 2.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.11850E-01 ppm1 3.512 ppm2 2.355 CV 1
ASSI { 13}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB3 ))
2.800 2.500 2.500 peak 13 spectrum 1 weight 0.10000E+01 volume 0.52828E-02 ppm1 4.195 ppm2 3.820 CV 1
ASSI { 14}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 13 and name HB2 ))
2.800 2.500 2.500 peak 14 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 4.195 ppm2 3.736 CV 1
ASSI { 15}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 15 and name HB% )
1.900 1.900 1.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.46990E-01 ppm1 3.872 ppm2 1.365 CV 1
ASSI { 17}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG2 ))
3.000 2.600 2.600 peak 17 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 3.728 ppm2 2.393 CV 1
ASSI { 18}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.600 2.400 2.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.43488E-02 ppm1 3.728 ppm2 2.202 CV 1
ASSI { 19}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HG3 ))
2.500 2.300 2.300 peak 19 spectrum 1 weight 0.10000E+01 volume 0.70338E-02 ppm1 3.728 ppm2 2.136 CV 1
ASSI { 20}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 16 and name HB3 ))
2.900 2.500 2.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.60708E-02 ppm1 3.728 ppm2 1.954 CV 1
ASSI { 22}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HG2 ))
2.100 2.100 2.100 peak 22 spectrum 1 weight 0.10000E+01 volume 0.48158E-02 ppm1 2.137 ppm2 2.394 CV 1
ASSI { 23}
(( segid " " and resid 16 and name HG3 ))
(( segid " " and resid 16 and name HB3 ))
3.100 2.700 2.700 peak 23 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 2.136 ppm2 1.950 CV 1
ASSI { 24}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
2.500 2.300 2.300 peak 24 spectrum 1 weight 0.10000E+01 volume 0.77342E-02 ppm1 2.121 ppm2 2.293 CV 1
OR { 24}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 26}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.600 2.400 2.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.73840E-02 ppm1 2.120 ppm2 3.931 CV 1
OR { 26}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 17 and name HA ))
ASSI { 27}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HG2 ))
1.600 1.600 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.25742E-01 ppm1 2.464 ppm2 2.281 CV 1
ASSI { 28}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB3 ))
2.500 2.300 2.300 peak 28 spectrum 1 weight 0.10000E+01 volume 0.74429E-02 ppm1 2.464 ppm2 2.118 CV 1
OR { 28}
(( segid " " and resid 17 and name HG3 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 29}
(( segid " " and resid 21 and name HA ))
( segid " " and resid 21 and name HB% )
1.900 1.900 2.000 peak 29 spectrum 1 weight 0.10000E+01 volume 0.48158E-01 ppm1 4.111 ppm2 1.349 CV 1
ASSI { 30}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HE2 ))
2.400 2.200 2.200 peak 30 spectrum 1 weight 0.10000E+01 volume 0.75011E-02 ppm1 1.479 ppm2 2.848 CV 1
OR { 30}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HE3 ))
OR { 30}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HE3 ))
OR { 30}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HE2 ))
ASSI { 31}
( segid " " and resid 24 and name HG1%)
(( segid " " and resid 24 and name HA ))
3.700 3.200 2.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 0.677 ppm2 4.387 CV 1
ASSI { 32}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HB ))
2.500 2.300 2.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.60124E-02 ppm1 0.705 ppm2 1.734 CV 1
ASSI { 33}
( segid " " and resid 24 and name HG2%)
(( segid " " and resid 24 and name HA ))
3.100 2.700 2.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.37942E-02 ppm1 0.706 ppm2 4.387 CV 1
ASSI { 34}
(( segid " " and resid 25 and name HB ))
(( segid " " and resid 25 and name HA ))
4.800 4.400 1.200 peak 34 spectrum 1 weight 0.10000E+01 volume 0.15089E-03 ppm1 1.935 ppm2 4.377 CV 1
ASSI { 35}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 26 and name HB2 ))
1.900 1.900 1.900 peak 35 spectrum 1 weight 0.10000E+01 volume 0.92228E-02 ppm1 3.453 ppm2 3.280 CV 1
ASSI { 37}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB2 ))
2.400 2.200 2.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.12054E-01 ppm1 5.178 ppm2 3.279 CV 1
ASSI { 38}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 27 and name HB3 ))
2.600 2.400 2.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.40861E-02 ppm1 5.177 ppm2 2.637 CV 1
ASSI { 39}
(( segid " " and resid 27 and name HB3 ))
(( segid " " and resid 27 and name HB2 ))
2.100 2.100 2.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.58665E-02 ppm1 2.637 ppm2 3.280 CV 1
ASSI { 40}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB2 ))
1.800 1.800 1.900 peak 40 spectrum 1 weight 0.10000E+01 volume 0.32105E-01 ppm1 4.805 ppm2 2.925 CV 1
ASSI { 41}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 29 and name HB3 ))
2.400 2.200 2.200 peak 41 spectrum 1 weight 0.10000E+01 volume 0.15703E-01 ppm1 4.805 ppm2 2.643 CV 1
ASSI { 42}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 33 and name HA ))
3.500 3.100 2.500 peak 42 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 0.616 ppm2 4.021 CV 1
ASSI { 43}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 33 and name HB3 ))
4.600 4.100 1.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.60124E-03 ppm1 0.615 ppm2 1.526 CV 1
ASSI { 44}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HA ))
3.500 3.000 2.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10128E-02 ppm1 2.631 ppm2 4.681 CV 1
ASSI { 45}
(( segid " " and resid 35 and name HB3 ))
(( segid " " and resid 35 and name HB2 ))
1.800 1.800 1.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.15819E-01 ppm1 2.631 ppm2 2.840 CV 1
ASSI { 46}
(( segid " " and resid 37 and name HB2 ))
(( segid " " and resid 37 and name HA ))
2.500 2.300 2.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10157E-01 ppm1 1.669 ppm2 4.378 CV 1
ASSI { 47}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HA ))
3.400 2.900 2.600 peak 47 spectrum 1 weight 0.10000E+01 volume 0.14535E-02 ppm1 1.640 ppm2 4.559 CV 1
ASSI { 48}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HA ))
3.000 2.600 2.600 peak 48 spectrum 1 weight 0.10000E+01 volume 0.20956E-02 ppm1 1.762 ppm2 4.561 CV 1
ASSI { 49}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HG2 ))
2.500 2.300 2.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.63628E-02 ppm1 1.762 ppm2 1.378 CV 1
OR { 49}
(( segid " " and resid 52 and name HB2 ))
(( segid " " and resid 52 and name HG3 ))
ASSI { 50}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HG2 ))
3.200 2.800 2.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.22065E-02 ppm1 1.640 ppm2 1.378 CV 1
OR { 50}
(( segid " " and resid 52 and name HB3 ))
(( segid " " and resid 52 and name HG3 ))
ASSI { 52}
(( segid " " and resid 53 and name HB2 ))
(( segid " " and resid 53 and name HA ))
2.700 2.400 2.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 2.592 ppm2 4.457 CV 1
ASSI { 54}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 53 and name HB3 ))
2.500 2.300 2.300 peak 54 spectrum 1 weight 0.10000E+01 volume 0.94565E-02 ppm1 4.460 ppm2 2.558 CV 1
ASSI { 55}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 54 and name HG13))
2.800 2.500 2.500 peak 55 spectrum 1 weight 0.10000E+01 volume 0.18154E-02 ppm1 1.494 ppm2 1.145 CV 1
ASSI { 56}
(( segid " " and resid 54 and name HB ))
(( segid " " and resid 54 and name HA ))
3.000 2.600 2.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.21861E-02 ppm1 1.494 ppm2 4.364 CV 1
ASSI { 57}
(( segid " " and resid 54 and name HG13))
(( segid " " and resid 54 and name HA ))
4.300 3.800 1.700 peak 57 spectrum 1 weight 0.10000E+01 volume 0.13630E-02 ppm1 1.144 ppm2 4.369 CV 1
ASSI { 59}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 56 and name HB ))
2.200 2.100 2.100 peak 59 spectrum 1 weight 0.10000E+01 volume 0.10478E-01 ppm1 3.709 ppm2 1.834 CV 1
ASSI { 60}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HA ))
2.700 2.400 2.400 peak 60 spectrum 1 weight 0.10000E+01 volume 0.44072E-02 ppm1 0.283 ppm2 3.683 CV 1
ASSI { 62}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG12))
2.700 2.400 2.400 peak 62 spectrum 1 weight 0.10000E+01 volume 0.23991E-02 ppm1 0.283 ppm2 1.321 CV 1
ASSI { 63}
( segid " " and resid 58 and name HG2%)
(( segid " " and resid 58 and name HG13))
3.500 3.000 2.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.33565E-02 ppm1 0.283 ppm2 1.109 CV 1
ASSI { 64}
( segid " " and resid 58 and name HG2%)
( segid " " and resid 58 and name HD1%)
3.200 2.800 2.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.57498E-02 ppm1 0.284 ppm2 0.682 CV 1
ASSI { 66}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HG13))
2.500 2.300 2.300 peak 66 spectrum 1 weight 0.10000E+01 volume 0.46407E-02 ppm1 0.680 ppm2 1.109 CV 1
ASSI { 67}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HG12))
2.400 2.200 2.200 peak 67 spectrum 1 weight 0.10000E+01 volume 0.60124E-02 ppm1 0.682 ppm2 1.320 CV 1
ASSI { 68}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 58 and name HA ))
4.100 3.600 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 0.681 ppm2 3.679 CV 1
ASSI { 69}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HD1%)
3.400 2.900 2.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.68590E-03 ppm1 1.782 ppm2 0.682 CV 1
ASSI { 70}
(( segid " " and resid 58 and name HB ))
( segid " " and resid 58 and name HG2%)
2.200 2.100 2.100 peak 70 spectrum 1 weight 0.10000E+01 volume 0.10945E-01 ppm1 1.781 ppm2 0.280 CV 1
ASSI { 71}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HB ))
2.800 2.500 2.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.21044E-02 ppm1 3.681 ppm2 1.776 CV 1
ASSI { 74}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB2 ))
3.100 2.700 2.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.23787E-02 ppm1 3.700 ppm2 1.770 CV 1
ASSI { 75}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 59 and name HG ))
2.400 2.200 2.200 peak 75 spectrum 1 weight 0.10000E+01 volume 0.76759E-02 ppm1 0.464 ppm2 1.572 CV 1
ASSI { 76}
(( segid " " and resid 59 and name HG ))
(( segid " " and resid 59 and name HA ))
3.200 2.800 2.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 1.570 ppm2 3.693 CV 1
ASSI { 78}
(( segid " " and resid 59 and name HA ))
( segid " " and resid 59 and name HD1%)
2.500 2.300 2.300 peak 78 spectrum 1 weight 0.10000E+01 volume 0.73840E-02 ppm1 3.699 ppm2 0.471 CV 1
ASSI { 80}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 59 and name HB3 ))
2.300 2.200 2.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.99821E-02 ppm1 3.699 ppm2 1.171 CV 1
ASSI { 81}
(( segid " " and resid 60 and name HA ))
( segid " " and resid 60 and name HG2%)
2.600 2.400 2.400 peak 81 spectrum 1 weight 0.10000E+01 volume 0.65965E-02 ppm1 3.814 ppm2 1.136 CV 1
ASSI { 83}
(( segid " " and resid 60 and name HB ))
(( segid " " and resid 60 and name HA ))
2.500 2.300 2.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.11500E-01 ppm1 4.107 ppm2 3.814 CV 1
ASSI { 84}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 60 and name HG2%)
2.100 2.000 2.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.22474E-01 ppm1 4.109 ppm2 1.136 CV 1
ASSI { 85}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HD1%)
2.800 2.400 2.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.57789E-02 ppm1 1.986 ppm2 0.779 CV 1
ASSI { 86}
(( segid " " and resid 61 and name HB ))
( segid " " and resid 61 and name HG2%)
2.600 2.400 2.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.54287E-02 ppm1 1.985 ppm2 0.837 CV 1
ASSI { 87}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HG2%)
2.600 2.400 2.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.65088E-02 ppm1 4.307 ppm2 0.837 CV 1
ASSI { 88}
(( segid " " and resid 61 and name HA ))
( segid " " and resid 61 and name HD1%)
4.200 3.700 1.800 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22211E-02 ppm1 4.307 ppm2 0.778 CV 1
ASSI { 89}
(( segid " " and resid 61 and name HA ))
(( segid " " and resid 61 and name HB ))
2.400 2.200 2.200 peak 89 spectrum 1 weight 0.10000E+01 volume 0.86978E-02 ppm1 4.307 ppm2 1.982 CV 1
ASSI { 92}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 62 and name HB2 ))
1.800 1.800 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.63916E-02 ppm1 2.393 ppm2 2.933 CV 1
ASSI { 93}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB2 ))
2.800 2.500 2.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.35899E-02 ppm1 5.103 ppm2 2.929 CV 1
ASSI { 94}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 62 and name HB3 ))
2.700 2.400 2.400 peak 94 spectrum 1 weight 0.10000E+01 volume 0.30646E-02 ppm1 5.103 ppm2 2.390 CV 1
ASSI { 95}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB2 ))
2.500 2.300 2.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.68007E-02 ppm1 3.803 ppm2 2.037 CV 1
OR { 95}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HB3 ))
ASSI { 96}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG2 ))
3.200 2.800 2.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.54871E-02 ppm1 3.803 ppm2 2.407 CV 1
ASSI { 97}
(( segid " " and resid 63 and name HA ))
(( segid " " and resid 63 and name HG3 ))
3.000 2.600 2.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.79096E-02 ppm1 3.803 ppm2 2.351 CV 1
ASSI { 98}
(( segid " " and resid 67 and name HG13))
( segid " " and resid 67 and name HD1%)
2.100 2.100 2.100 peak 98 spectrum 1 weight 0.10000E+01 volume 0.21131E-01 ppm1 1.248 ppm2 0.896 CV 1
ASSI { 99}
(( segid " " and resid 67 and name HG13))
( segid " " and resid 67 and name HG2%)
5.500 5.200 0.500 peak 99 spectrum 1 weight 0.10000E+01 volume 0.11208E-03 ppm1 1.248 ppm2 0.934 CV 1
ASSI { 100}
(( segid " " and resid 67 and name HG13))
(( segid " " and resid 67 and name HG12))
1.800 1.800 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.13251E-01 ppm1 1.248 ppm2 1.550 CV 1
ASSI { 101}
(( segid " " and resid 67 and name HG13))
(( segid " " and resid 67 and name HA ))
3.500 3.000 2.500 peak 101 spectrum 1 weight 0.10000E+01 volume 0.19147E-02 ppm1 1.248 ppm2 4.227 CV 1
ASSI { 102}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 67 and name HD1%)
2.800 2.500 2.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.86395E-02 ppm1 1.558 ppm2 0.898 CV 1
ASSI { 103}
(( segid " " and resid 67 and name HB ))
( segid " " and resid 67 and name HG2%)
2.800 2.500 2.500 peak 103 spectrum 1 weight 0.10000E+01 volume 0.27669E-02 ppm1 1.559 ppm2 0.936 CV 1
ASSI { 104}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 67 and name HA ))
2.800 2.500 2.500 peak 104 spectrum 1 weight 0.10000E+01 volume 0.27260E-02 ppm1 1.559 ppm2 4.226 CV 1
ASSI { 105}
(( segid " " and resid 69 and name HB2 ))
(( segid " " and resid 69 and name HB3 ))
1.800 1.800 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.14301E-01 ppm1 1.838 ppm2 2.053 CV 1
ASSI { 108}
(( segid " " and resid 70 and name HB3 ))
(( segid " " and resid 70 and name HA ))
3.400 2.900 2.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 2.543 ppm2 4.606 CV 1
ASSI { 110}
(( segid " " and resid 70 and name HB2 ))
(( segid " " and resid 70 and name HB3 ))
2.100 2.000 2.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.61000E-02 ppm1 3.414 ppm2 2.538 CV 1
ASSI { 111}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HA ))
3.100 2.700 2.700 peak 111 spectrum 1 weight 0.10000E+01 volume 0.40569E-02 ppm1 2.428 ppm2 4.930 CV 1
ASSI { 112}
(( segid " " and resid 71 and name HB2 ))
(( segid " " and resid 71 and name HA ))
3.000 2.600 2.600 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21336E-02 ppm1 2.897 ppm2 4.930 CV 1
ASSI { 114}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB3 ))
2.100 2.100 2.100 peak 114 spectrum 1 weight 0.10000E+01 volume 0.20839E-01 ppm1 4.568 ppm2 3.794 CV 1
ASSI { 115}
(( segid " " and resid 72 and name HA ))
(( segid " " and resid 72 and name HB2 ))
3.300 2.800 2.700 peak 115 spectrum 1 weight 0.10000E+01 volume 0.20460E-02 ppm1 4.568 ppm2 3.865 CV 1
ASSI { 116}
(( segid " " and resid 73 and name HA ))
(( segid " " and resid 73 and name HB3 ))
2.900 2.500 2.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 4.924 ppm2 2.142 CV 1
ASSI { 118}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 74 and name HB ))
2.200 2.100 2.100 peak 118 spectrum 1 weight 0.10000E+01 volume 0.13514E-01 ppm1 0.975 ppm2 3.907 CV 1
ASSI { 119}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 74 and name HA ))
2.600 2.300 2.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.64505E-02 ppm1 0.975 ppm2 4.484 CV 1
ASSI { 120}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HG1%)
2.400 2.200 2.200 peak 120 spectrum 1 weight 0.10000E+01 volume 0.74134E-02 ppm1 4.312 ppm2 0.876 CV 1
ASSI { 121}
(( segid " " and resid 75 and name HA ))
( segid " " and resid 75 and name HG2%)
3.000 2.600 2.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.70632E-02 ppm1 4.312 ppm2 0.890 CV 1
ASSI { 122}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 76 and name HB3 ))
1.600 1.600 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.28749E-01 ppm1 3.395 ppm2 3.275 CV 1
ASSI { 123}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB2 ))
2.500 2.300 2.300 peak 123 spectrum 1 weight 0.10000E+01 volume 0.51076E-02 ppm1 5.233 ppm2 3.391 CV 1
ASSI { 124}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 76 and name HB3 ))
2.600 2.400 2.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.35316E-02 ppm1 5.233 ppm2 3.284 CV 1
ASSI { 125}
(( segid " " and resid 78 and name HB2 ))
(( segid " " and resid 78 and name HA ))
2.500 2.300 2.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.56330E-02 ppm1 2.946 ppm2 5.886 CV 1
ASSI { 128}
(( segid " " and resid 78 and name HA ))
(( segid " " and resid 78 and name HB3 ))
2.900 2.600 2.600 peak 128 spectrum 1 weight 0.10000E+01 volume 0.29187E-02 ppm1 5.886 ppm2 2.744 CV 1
ASSI { 129}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HG2 ))
2.900 2.600 2.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.34148E-02 ppm1 4.410 ppm2 2.274 CV 1
OR { 129}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HG3 ))
ASSI { 130}
(( segid " " and resid 82 and name HA ))
(( segid " " and resid 82 and name HB2 ))
3.000 2.600 2.600 peak 130 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 4.408 ppm2 2.037 CV 1
ASSI { 132}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HB ))
2.900 2.600 2.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.25830E-02 ppm1 3.912 ppm2 1.753 CV 1
ASSI { 133}
(( segid " " and resid 83 and name HA ))
(( segid " " and resid 83 and name HG13))
3.000 2.600 2.600 peak 133 spectrum 1 weight 0.10000E+01 volume 0.28223E-02 ppm1 3.912 ppm2 1.143 CV 1
ASSI { 134}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 86 and name HB ))
2.000 2.000 2.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.31813E-01 ppm1 4.086 ppm2 2.119 CV 1
ASSI { 135}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HG1%)
2.400 2.200 2.200 peak 135 spectrum 1 weight 0.10000E+01 volume 0.12580E-01 ppm1 4.087 ppm2 0.872 CV 1
ASSI { 136}
(( segid " " and resid 86 and name HA ))
( segid " " and resid 86 and name HG2%)
2.500 2.300 2.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.20402E-01 ppm1 4.087 ppm2 0.884 CV 1
ASSI { 137}
( segid " " and resid 88 and name HD1%)
(( segid " " and resid 88 and name HA ))
5.200 4.900 0.800 peak 137 spectrum 1 weight 0.10000E+01 volume 0.71797E-03 ppm1 0.693 ppm2 4.357 CV 1
ASSI { 138}
( segid " " and resid 88 and name HG2%)
(( segid " " and resid 88 and name HG12))
3.600 3.100 2.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.55454E-03 ppm1 0.711 ppm2 1.333 CV 1
ASSI { 139}
(( segid " " and resid 88 and name HB ))
( segid " " and resid 88 and name HD1%)
2.700 2.400 2.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.44364E-02 ppm1 1.843 ppm2 0.693 CV 1
ASSI { 140}
(( segid " " and resid 88 and name HB ))
( segid " " and resid 88 and name HG2%)
2.300 2.200 2.200 peak 140 spectrum 1 weight 0.10000E+01 volume 0.98944E-02 ppm1 1.843 ppm2 0.716 CV 1
ASSI { 141}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 91 and name HB ))
2.700 2.400 2.400 peak 141 spectrum 1 weight 0.10000E+01 volume 0.37067E-02 ppm1 4.863 ppm2 3.940 CV 1
ASSI { 142}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 91 and name HG2%)
3.000 2.600 2.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.54579E-02 ppm1 4.864 ppm2 1.048 CV 1
ASSI { 143}
( segid " " and resid 91 and name HG2%)
(( segid " " and resid 91 and name HB ))
3.900 3.400 2.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.55746E-03 ppm1 1.046 ppm2 3.939 CV 1
ASSI { 145}
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HD1%)
2.000 2.000 2.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.93982E-01 ppm1 4.451 ppm2 0.834 CV 1
ASSI { 146}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HA ))
3.000 2.600 2.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.21336E-02 ppm1 1.023 ppm2 4.408 CV 1
ASSI { 147}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HB ))
2.500 2.300 2.300 peak 147 spectrum 1 weight 0.10000E+01 volume 0.53411E-02 ppm1 1.023 ppm2 2.209 CV 1
ASSI { 148}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HG12))
2.800 2.500 2.500 peak 148 spectrum 1 weight 0.10000E+01 volume 0.30062E-02 ppm1 1.023 ppm2 1.597 CV 1
ASSI { 149}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 65 and name HG13))
4.200 3.800 1.800 peak 149 spectrum 1 weight 0.10000E+01 volume 0.88726E-03 ppm1 1.023 ppm2 1.408 CV 1
ASSI { 151}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 65 and name HD1%)
5.200 4.900 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.10040E-03 ppm1 2.209 ppm2 0.789 CV 1
ASSI { 152}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HA ))
3.500 3.000 2.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.72092E-03 ppm1 2.210 ppm2 4.408 CV 1
ASSI { 155}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 5 and name HA ))
3.700 3.200 2.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.75011E-03 ppm1 1.277 ppm2 4.514 CV 1
ASSI { 156}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HB3 ))
2.700 2.400 2.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.21423E-02 ppm1 5.834 ppm2 2.616 CV 1
ASSI { 157}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB2 ))
2.600 2.400 2.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.51076E-02 ppm1 5.624 ppm2 2.877 CV 1
ASSI { 158}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 28 and name HB3 ))
3.500 3.000 2.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.12346E-02 ppm1 5.624 ppm2 2.452 CV 1
ASSI { 159}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HB3 ))
1.800 1.800 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.12959E-01 ppm1 2.202 ppm2 1.975 CV 1
ASSI { 161}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 22 and name HA ))
3.300 2.900 2.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.20489E-02 ppm1 2.202 ppm2 4.272 CV 1
ASSI { 164}
(( segid " " and resid 28 and name HA ))
(( segid " " and resid 51 and name HA ))
2.100 2.000 2.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.14301E-01 ppm1 5.623 ppm2 5.275 CV 1
ASSI { 165}
(( segid " " and resid 44 and name HG13))
(( segid " " and resid 81 and name HG3 ))
5.200 4.900 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.18563E-03 ppm1 1.101 ppm2 2.275 CV 1
ASSI { 166}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD3 ))
3.100 2.700 2.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.21510E-02 ppm1 4.513 ppm2 3.580 CV 1
ASSI { 167}
(( segid " " and resid 5 and name HA ))
(( segid " " and resid 6 and name HD2 ))
2.500 2.300 2.300 peak 167 spectrum 1 weight 0.10000E+01 volume 0.46115E-02 ppm1 4.513 ppm2 3.744 CV 1
ASSI { 168}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HD3 ))
1.700 1.700 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.14010E-01 ppm1 3.743 ppm2 3.580 CV 1
ASSI { 170}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HG3 ))
3.300 2.800 2.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.23875E-02 ppm1 3.743 ppm2 1.940 CV 1
ASSI { 171}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HB2 ))
2.500 2.300 2.300 peak 171 spectrum 1 weight 0.10000E+01 volume 0.12959E-01 ppm1 4.532 ppm2 2.219 CV 1
ASSI { 172}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD3 ))
3.700 3.200 2.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 4.532 ppm2 3.529 CV 1
ASSI { 173}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 10 and name HD2 ))
4.700 4.200 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.47282E-03 ppm1 4.532 ppm2 3.564 CV 1
ASSI { 174}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 11 and name HB3 ))
1.900 1.900 2.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.81139E-02 ppm1 3.933 ppm2 4.223 CV 1
ASSI { 176}
( segid " " and resid 12 and name HG1%)
( segid " " and resid 59 and name HD1%)
2.700 2.400 2.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.77342E-02 ppm1 1.054 ppm2 0.460 CV 1
ASSI { 177}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 63 and name HB3 ))
3.200 2.800 2.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 3.738 ppm2 2.030 CV 1
OR { 177}
(( segid " " and resid 13 and name HB2 ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 178}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 63 and name HB3 ))
3.500 3.000 2.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.10916E-02 ppm1 3.827 ppm2 2.030 CV 1
OR { 178}
(( segid " " and resid 13 and name HB3 ))
(( segid " " and resid 63 and name HB2 ))
ASSI { 181}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB2 ))
2.500 2.300 2.300 peak 181 spectrum 1 weight 0.10000E+01 volume 0.65670E-02 ppm1 3.873 ppm2 1.864 CV 1
OR { 181}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 18 and name HB3 ))
ASSI { 182}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 93 and name HD1%)
2.700 2.400 2.400 peak 182 spectrum 1 weight 0.10000E+01 volume 0.95442E-02 ppm1 3.873 ppm2 0.750 CV 1
OR { 182}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 93 and name HG2%)
ASSI { 183}
( segid " " and resid 15 and name HB% )
( segid " " and resid 93 and name HD1%)
2.300 2.200 2.200 peak 183 spectrum 1 weight 0.10000E+01 volume 0.14447E-01 ppm1 1.362 ppm2 0.755 CV 1
OR { 183}
( segid " " and resid 15 and name HB% )
( segid " " and resid 93 and name HG2%)
ASSI { 184}
( segid " " and resid 15 and name HB% )
( segid " " and resid 75 and name HG2%)
2.600 2.300 2.300 peak 184 spectrum 1 weight 0.10000E+01 volume 0.93982E-02 ppm1 1.362 ppm2 0.878 CV 1
OR { 184}
( segid " " and resid 15 and name HB% )
( segid " " and resid 75 and name HG1%)
ASSI { 185}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 18 and name HB2 ))
4.500 4.000 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.59249E-03 ppm1 1.362 ppm2 1.854 CV 1
OR { 185}
( segid " " and resid 15 and name HB% )
(( segid " " and resid 18 and name HB3 ))
ASSI { 186}
(( segid " " and resid 16 and name HG3 ))
( segid " " and resid 25 and name HG1%)
4.000 3.500 2.000 peak 186 spectrum 1 weight 0.10000E+01 volume 0.84935E-03 ppm1 2.136 ppm2 0.852 CV 1
ASSI { 188}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HB3 ))
2.700 2.400 2.400 peak 188 spectrum 1 weight 0.10000E+01 volume 0.34440E-02 ppm1 1.463 ppm2 1.854 CV 1
OR { 188}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HB2 ))
OR { 188}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB3 ))
OR { 188}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HB2 ))
ASSI { 189}
(( segid " " and resid 18 and name HG2 ))
(( segid " " and resid 18 and name HA ))
2.700 2.400 2.400 peak 189 spectrum 1 weight 0.10000E+01 volume 0.41153E-02 ppm1 1.463 ppm2 4.021 CV 1
OR { 189}
(( segid " " and resid 18 and name HG3 ))
(( segid " " and resid 18 and name HA ))
ASSI { 190}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HA ))
4.500 4.000 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.51076E-03 ppm1 1.351 ppm2 4.274 CV 1
ASSI { 191}
(( segid " " and resid 70 and name HA ))
(( segid " " and resid 70 and name HB2 ))
3.000 2.600 2.600 peak 191 spectrum 1 weight 0.10000E+01 volume 0.42320E-02 ppm1 4.608 ppm2 3.415 CV 1
ASSI { 193}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HB3 ))
2.700 2.400 2.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.30354E-02 ppm1 4.564 ppm2 1.506 CV 1
ASSI { 194}
(( segid " " and resid 23 and name HA ))
(( segid " " and resid 23 and name HG2 ))
3.100 2.700 2.700 peak 194 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 4.564 ppm2 1.086 CV 1
ASSI { 195}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HB2 ))
2.500 2.300 2.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13192E-02 ppm1 1.506 ppm2 1.640 CV 1
ASSI { 196}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HG2 ))
5.000 4.600 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.11529E-03 ppm1 1.640 ppm2 1.086 CV 1
ASSI { 197}
(( segid " " and resid 23 and name HB3 ))
(( segid " " and resid 23 and name HG2 ))
3.600 3.100 2.400 peak 197 spectrum 1 weight 0.10000E+01 volume 0.33565E-03 ppm1 1.505 ppm2 1.086 CV 1
ASSI { 198}
(( segid " " and resid 23 and name HB2 ))
(( segid " " and resid 23 and name HA ))
3.500 3.000 2.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.93105E-03 ppm1 1.640 ppm2 4.558 CV 1
ASSI { 200}
(( segid " " and resid 23 and name HE3 ))
(( segid " " and resid 23 and name HG2 ))
2.900 2.600 2.600 peak 200 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 2.849 ppm2 1.086 CV 1
OR { 200}
(( segid " " and resid 23 and name HE2 ))
(( segid " " and resid 23 and name HG2 ))
ASSI { 202}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 53 and name HA ))
2.400 2.200 2.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.15235E-01 ppm1 5.001 ppm2 4.449 CV 1
ASSI { 203}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 53 and name HB3 ))
5.300 5.000 0.700 peak 203 spectrum 1 weight 0.10000E+01 volume 0.42029E-03 ppm1 5.001 ppm2 2.557 CV 1
ASSI { 204}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 54 and name HG12))
2.200 2.100 2.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.66836E-02 ppm1 5.001 ppm2 1.481 CV 1
OR { 204}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 54 and name HB ))
ASSI { 205}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 54 and name HG13))
5.400 5.100 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.19409E-03 ppm1 5.001 ppm2 1.134 CV 1
ASSI { 206}
(( segid " " and resid 26 and name HA ))
( segid " " and resid 54 and name HD1%)
2.300 2.100 2.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.65088E-02 ppm1 5.001 ppm2 0.709 CV 1
ASSI { 208}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 78 and name HB3 ))
4.500 4.000 1.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.41737E-03 ppm1 3.453 ppm2 2.741 CV 1
ASSI { 209}
(( segid " " and resid 26 and name HB3 ))
( segid " " and resid 54 and name HD1%)
4.900 4.500 1.100 peak 209 spectrum 1 weight 0.10000E+01 volume 0.84935E-03 ppm1 3.453 ppm2 0.713 CV 1
ASSI { 210}
(( segid " " and resid 26 and name HB2 ))
( segid " " and resid 54 and name HD1%)
4.200 3.700 1.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.18417E-02 ppm1 3.275 ppm2 0.713 CV 1
ASSI { 211}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 53 and name HA ))
4.000 3.500 2.000 peak 211 spectrum 1 weight 0.10000E+01 volume 0.33565E-03 ppm1 3.274 ppm2 4.449 CV 1
ASSI { 212}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 53 and name HA ))
4.900 4.500 1.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10711E-03 ppm1 3.453 ppm2 4.449 CV 1
ASSI { 214}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 75 and name HG2%)
3.500 3.100 2.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.28195E-02 ppm1 5.178 ppm2 0.886 CV 1
OR { 214}
(( segid " " and resid 27 and name HA ))
( segid " " and resid 75 and name HG1%)
ASSI { 216}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 75 and name HA ))
2.200 2.100 2.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.13689E-01 ppm1 5.178 ppm2 4.322 CV 1
ASSI { 218}
(( segid " " and resid 27 and name HB2 ))
( segid " " and resid 54 and name HD1%)
3.900 3.400 2.100 peak 218 spectrum 1 weight 0.10000E+01 volume 0.12813E-02 ppm1 3.278 ppm2 0.726 CV 1
ASSI { 219}
(( segid " " and resid 27 and name HB2 ))
(( segid " " and resid 54 and name HG13))
5.100 4.700 0.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.57206E-03 ppm1 3.278 ppm2 1.147 CV 1
ASSI { 220}
(( segid " " and resid 28 and name HA ))
( segid " " and resid 54 and name HD1%)
6.000 6.000 0.000 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11354E-03 ppm1 5.624 ppm2 0.701 CV 1
ASSI { 223}
(( segid " " and resid 29 and name HA ))
(( segid " " and resid 73 and name HB3 ))
3.900 3.400 2.100 peak 223 spectrum 1 weight 0.10000E+01 volume 0.59541E-03 ppm1 4.805 ppm2 2.140 CV 1
ASSI { 224}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB2 ))
2.500 2.300 2.300 peak 224 spectrum 1 weight 0.10000E+01 volume 0.96024E-02 ppm1 4.539 ppm2 3.725 CV 1
ASSI { 225}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 30 and name HB3 ))
2.500 2.300 2.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.75300E-02 ppm1 4.539 ppm2 3.398 CV 1
ASSI { 226}
(( segid " " and resid 30 and name HB3 ))
( segid " " and resid 33 and name HD2%)
3.700 3.200 2.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.20110E-02 ppm1 3.390 ppm2 0.722 CV 1
ASSI { 228}
(( segid " " and resid 30 and name HA ))
(( segid " " and resid 32 and name HG2 ))
4.900 4.500 1.100 peak 228 spectrum 1 weight 0.10000E+01 volume 0.64211E-03 ppm1 4.539 ppm2 2.388 CV 1
ASSI { 229}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 92 and name HB3 ))
3.600 3.100 2.400 peak 229 spectrum 1 weight 0.10000E+01 volume 0.14185E-02 ppm1 0.615 ppm2 1.784 CV 1
ASSI { 230}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 92 and name HB2 ))
4.900 4.500 1.100 peak 230 spectrum 1 weight 0.10000E+01 volume 0.81139E-03 ppm1 0.615 ppm2 1.997 CV 1
ASSI { 231}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 92 and name HD2 ))
5.300 5.100 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.43488E-03 ppm1 0.615 ppm2 3.773 CV 1
ASSI { 232}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 92 and name HD3 ))
3.800 3.300 2.200 peak 232 spectrum 1 weight 0.10000E+01 volume 0.74429E-03 ppm1 0.615 ppm2 3.577 CV 1
ASSI { 233}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 90 and name HB2 ))
3.300 2.900 2.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.16724E-02 ppm1 0.615 ppm2 2.825 CV 1
ASSI { 234}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 90 and name HB3 ))
4.600 4.200 1.400 peak 234 spectrum 1 weight 0.10000E+01 volume 0.35024E-03 ppm1 0.615 ppm2 2.616 CV 1
ASSI { 235}
( segid " " and resid 33 and name HD2%)
(( segid " " and resid 92 and name HB3 ))
3.100 2.700 2.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.38234E-02 ppm1 0.729 ppm2 1.787 CV 1
ASSI { 236}
( segid " " and resid 33 and name HD2%)
(( segid " " and resid 30 and name HB2 ))
3.300 2.800 2.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.50201E-03 ppm1 0.729 ppm2 3.725 CV 1
ASSI { 237}
( segid " " and resid 33 and name HD2%)
(( segid " " and resid 76 and name HB2 ))
4.000 3.500 2.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.57206E-03 ppm1 0.729 ppm2 3.399 CV 1
ASSI { 238}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB3 ))
2.800 2.500 2.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.40277E-02 ppm1 3.979 ppm2 1.770 CV 1
OR { 238}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HB2 ))
ASSI { 239}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG2 ))
3.400 3.000 2.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.12112E-02 ppm1 3.979 ppm2 1.309 CV 1
ASSI { 240}
(( segid " " and resid 34 and name HA ))
(( segid " " and resid 34 and name HG3 ))
3.400 2.900 2.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.12784E-02 ppm1 3.979 ppm2 1.368 CV 1
ASSI { 241}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 34 and name HE2 ))
2.300 2.200 2.200 peak 241 spectrum 1 weight 0.10000E+01 volume 0.10974E-01 ppm1 1.565 ppm2 2.885 CV 1
OR { 241}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 34 and name HE3 ))
OR { 241}
(( segid " " and resid 34 and name HD2 ))
(( segid " " and resid 34 and name HE2 ))
OR { 241}
(( segid " " and resid 34 and name HD3 ))
(( segid " " and resid 34 and name HE3 ))
ASSI { 242}
(( segid " " and resid 40 and name HA ))
( segid " " and resid 40 and name HB% )
1.800 1.800 1.900 peak 242 spectrum 1 weight 0.10000E+01 volume 0.71797E-01 ppm1 4.221 ppm2 1.304 CV 1
ASSI { 244}
(( segid " " and resid 41 and name HA ))
(( segid " " and resid 41 and name HG2 ))
3.000 2.600 2.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.49909E-02 ppm1 4.127 ppm2 2.308 CV 1
ASSI { 247}
(( segid " " and resid 41 and name HA ))
( segid " " and resid 42 and name HG2%)
3.600 3.100 2.400 peak 247 spectrum 1 weight 0.10000E+01 volume 0.32105E-02 ppm1 4.127 ppm2 0.711 CV 1
ASSI { 248}
(( segid " " and resid 41 and name HB3 ))
(( segid " " and resid 41 and name HA ))
2.800 2.500 2.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.51952E-02 ppm1 1.870 ppm2 4.128 CV 1
ASSI { 249}
(( segid " " and resid 41 and name HB2 ))
(( segid " " and resid 41 and name HA ))
2.200 2.100 2.100 peak 249 spectrum 1 weight 0.10000E+01 volume 0.17191E-01 ppm1 1.929 ppm2 4.128 CV 1
ASSI { 250}
(( segid " " and resid 41 and name HG3 ))
(( segid " " and resid 41 and name HA ))
4.300 3.900 1.700 peak 250 spectrum 1 weight 0.10000E+01 volume 0.35024E-03 ppm1 2.240 ppm2 4.128 CV 1
ASSI { 252}
(( segid " " and resid 52 and name HA ))
( segid " " and resid 44 and name HG2%)
4.100 3.600 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.66547E-03 ppm1 4.557 ppm2 0.847 CV 1
ASSI { 253}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HG3 ))
3.100 2.700 2.700 peak 253 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 4.557 ppm2 1.378 CV 1
OR { 253}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 52 and name HG2 ))
ASSI { 254}
(( segid " " and resid 52 and name HA ))
(( segid " " and resid 26 and name HB2 ))
5.800 5.700 0.200 peak 254 spectrum 1 weight 0.10000E+01 volume 0.15527E-03 ppm1 4.557 ppm2 3.283 CV 1
ASSI { 256}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HB ))
6.000 6.000 0.000 peak 256 spectrum 1 weight 0.10000E+01 volume 0.11441E-03 ppm1 4.461 ppm2 1.494 CV 1
ASSI { 257}
(( segid " " and resid 53 and name HA ))
( segid " " and resid 54 and name HD1%)
6.000 6.000 0.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.34440E-04 ppm1 4.460 ppm2 0.723 CV 1
ASSI { 260}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HD3 ))
2.400 2.200 2.200 peak 260 spectrum 1 weight 0.10000E+01 volume 0.44072E-02 ppm1 4.367 ppm2 3.461 CV 1
ASSI { 261}
( segid " " and resid 54 and name HD1%)
(( segid " " and resid 27 and name HB3 ))
4.500 4.100 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.32981E-03 ppm1 0.713 ppm2 2.629 CV 1
ASSI { 262}
(( segid " " and resid 56 and name HA ))
(( segid " " and resid 59 and name HG ))
3.400 2.900 2.600 peak 262 spectrum 1 weight 0.10000E+01 volume 0.22532E-02 ppm1 3.708 ppm2 1.570 CV 1
ASSI { 263}
(( segid " " and resid 58 and name HA ))
(( segid " " and resid 58 and name HG13))
3.300 2.900 2.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.21452E-02 ppm1 3.681 ppm2 1.110 CV 1
ASSI { 264}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 63 and name HB2 ))
5.600 5.400 0.400 peak 264 spectrum 1 weight 0.10000E+01 volume 0.21131E-03 ppm1 0.682 ppm2 2.024 CV 1
OR { 264}
( segid " " and resid 58 and name HD1%)
(( segid " " and resid 63 and name HB3 ))
ASSI { 267}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HG ))
2.700 2.400 2.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.31813E-02 ppm1 1.777 ppm2 1.569 CV 1
ASSI { 268}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD1%)
3.600 3.100 2.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.10945E-02 ppm1 1.176 ppm2 0.470 CV 1
ASSI { 269}
(( segid " " and resid 59 and name HB3 ))
( segid " " and resid 59 and name HD2%)
3.500 3.100 2.500 peak 269 spectrum 1 weight 0.10000E+01 volume 0.17570E-02 ppm1 1.176 ppm2 0.727 CV 1
ASSI { 270}
(( segid " " and resid 59 and name HB2 ))
(( segid " " and resid 59 and name HB3 ))
1.800 1.800 1.900 peak 270 spectrum 1 weight 0.10000E+01 volume 0.83476E-02 ppm1 1.777 ppm2 1.176 CV 1
ASSI { 272}
(( segid " " and resid 59 and name HB3 ))
(( segid " " and resid 59 and name HG ))
3.200 2.800 2.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11208E-02 ppm1 1.176 ppm2 1.569 CV 1
ASSI { 274}
( segid " " and resid 59 and name HD1%)
(( segid " " and resid 54 and name HG13))
2.600 2.400 2.400 peak 274 spectrum 1 weight 0.10000E+01 volume 0.40861E-02 ppm1 0.464 ppm2 1.135 CV 1
ASSI { 275}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HB2 ))
3.500 3.000 2.500 peak 275 spectrum 1 weight 0.10000E+01 volume 0.91940E-03 ppm1 0.732 ppm2 1.776 CV 1
ASSI { 277}
(( segid " " and resid 60 and name HB ))
( segid " " and resid 61 and name HG2%)
2.100 2.100 2.100 peak 277 spectrum 1 weight 0.10000E+01 volume 0.20781E-01 ppm1 4.109 ppm2 0.833 CV 1
ASSI { 279}
(( segid " " and resid 61 and name HG12))
(( segid " " and resid 61 and name HG13))
1.700 1.700 1.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.11937E-01 ppm1 1.378 ppm2 1.196 CV 1
ASSI { 281}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 61 and name HG12))
4.900 4.500 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.64211E-03 ppm1 5.103 ppm2 1.376 CV 1
ASSI { 283}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 64 and name HB3 ))
6.000 6.000 0.000 peak 283 spectrum 1 weight 0.10000E+01 volume 0.40861E-04 ppm1 2.393 ppm2 1.645 CV 1
ASSI { 284}
(( segid " " and resid 62 and name HB3 ))
( segid " " and resid 65 and name HG2%)
4.600 4.100 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.79679E-03 ppm1 2.392 ppm2 1.025 CV 1
ASSI { 288}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 25 and name HG2%)
4.400 4.000 1.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.36775E-03 ppm1 3.728 ppm2 0.800 CV 1
ASSI { 290}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 66 and name HD2 ))
2.700 2.400 2.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.40569E-02 ppm1 4.407 ppm2 3.484 CV 1
ASSI { 291}
(( segid " " and resid 65 and name HA ))
(( segid " " and resid 4 and name HD2 ))
2.700 2.400 2.400 peak 291 spectrum 1 weight 0.10000E+01 volume 0.51952E-02 ppm1 4.407 ppm2 3.811 CV 1
ASSI { 292}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HG12))
3.300 2.900 2.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 2.209 ppm2 1.596 CV 1
ASSI { 293}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 65 and name HG13))
3.300 2.900 2.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.66836E-03 ppm1 2.209 ppm2 1.407 CV 1
ASSI { 295}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 66 and name HD3 ))
4.800 4.400 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.83181E-03 ppm1 2.209 ppm2 3.458 CV 1
ASSI { 296}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 70 and name HE% )
3.500 3.000 2.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.15381E-02 ppm1 2.209 ppm2 7.115 CV 1
OR { 296}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 70 and name HZ ))
OR { 296}
(( segid " " and resid 65 and name HB ))
( segid " " and resid 70 and name HD% )
ASSI { 297}
(( segid " " and resid 71 and name HB3 ))
(( segid " " and resid 71 and name HB2 ))
2.000 2.000 2.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.91940E-02 ppm1 2.427 ppm2 2.897 CV 1
ASSI { 301}
(( segid " " and resid 71 and name HB2 ))
( segid " " and resid 54 and name HD1%)
2.800 2.500 2.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 2.897 ppm2 0.712 CV 1
ASSI { 302}
(( segid " " and resid 71 and name HB3 ))
( segid " " and resid 54 and name HD1%)
4.400 3.900 1.600 peak 302 spectrum 1 weight 0.10000E+01 volume 0.10303E-03 ppm1 2.427 ppm2 0.712 CV 1
ASSI { 303}
(( segid " " and resid 65 and name HB ))
(( segid " " and resid 62 and name HA ))
6.000 6.000 0.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.91940E-04 ppm1 2.209 ppm2 5.108 CV 1
ASSI { 306}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 62 and name HB2 ))
4.900 4.500 1.100 peak 306 spectrum 1 weight 0.10000E+01 volume 0.13018E-02 ppm1 1.023 ppm2 2.930 CV 1
ASSI { 307}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 66 and name HD2 ))
2.800 2.500 2.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.25305E-02 ppm1 1.023 ppm2 3.485 CV 1
ASSI { 308}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 4 and name HD2 ))
3.400 2.900 2.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.98649E-03 ppm1 1.023 ppm2 3.812 CV 1
ASSI { 309}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 70 and name HE% )
3.400 3.000 2.600 peak 309 spectrum 1 weight 0.10000E+01 volume 0.16812E-02 ppm1 1.023 ppm2 7.113 CV 1
OR { 309}
( segid " " and resid 65 and name HG2%)
( segid " " and resid 70 and name HD% )
ASSI { 310}
( segid " " and resid 65 and name HD1%)
(( segid " " and resid 65 and name HG12))
2.400 2.200 2.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.57789E-02 ppm1 0.789 ppm2 1.596 CV 1
ASSI { 311}
( segid " " and resid 65 and name HD1%)
(( segid " " and resid 65 and name HG13))
3.700 3.200 2.300 peak 311 spectrum 1 weight 0.10000E+01 volume 0.45239E-03 ppm1 0.789 ppm2 1.406 CV 1
ASSI { 313}
( segid " " and resid 65 and name HD1%)
(( segid " " and resid 65 and name HA ))
3.300 2.800 2.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.52536E-02 ppm1 0.789 ppm2 4.408 CV 1
ASSI { 315}
(( segid " " and resid 67 and name HG12))
(( segid " " and resid 12 and name HA ))
4.900 4.500 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.44072E-04 ppm1 1.556 ppm2 3.506 CV 1
ASSI { 318}
(( segid " " and resid 69 and name HB3 ))
( segid " " and resid 65 and name HG2%)
3.400 2.900 2.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.39402E-02 ppm1 2.057 ppm2 1.018 CV 1
ASSI { 319}
(( segid " " and resid 69 and name HB2 ))
( segid " " and resid 65 and name HG2%)
4.200 3.700 1.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.27231E-03 ppm1 1.838 ppm2 1.018 CV 1
ASSI { 320}
(( segid " " and resid 70 and name HB2 ))
( segid " " and resid 54 and name HG2%)
3.000 2.600 2.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.64211E-02 ppm1 3.414 ppm2 0.745 CV 1
ASSI { 321}
(( segid " " and resid 70 and name HB2 ))
( segid " " and resid 70 and name HE% )
4.200 3.700 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.23262E-02 ppm1 3.414 ppm2 7.107 CV 1
ASSI { 322}
(( segid " " and resid 70 and name HB3 ))
( segid " " and resid 70 and name HE% )
4.400 3.900 1.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.17775E-02 ppm1 2.543 ppm2 7.107 CV 1
ASSI { 323}
(( segid " " and resid 74 and name HB ))
(( segid " " and resid 73 and name HB2 ))
2.700 2.400 2.400 peak 323 spectrum 1 weight 0.10000E+01 volume 0.17016E-02 ppm1 3.907 ppm2 2.895 CV 1
ASSI { 324}
(( segid " " and resid 74 and name HB ))
( segid " " and resid 33 and name HD2%)
3.400 3.000 2.600 peak 324 spectrum 1 weight 0.10000E+01 volume 0.15031E-02 ppm1 3.907 ppm2 0.716 CV 1
ASSI { 326}
( segid " " and resid 75 and name HG1%)
(( segid " " and resid 94 and name HB2 ))
3.000 2.600 2.600 peak 326 spectrum 1 weight 0.10000E+01 volume 0.54579E-02 ppm1 0.875 ppm2 1.605 CV 1
ASSI { 327}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 92 and name HA ))
1.800 1.800 1.900 peak 327 spectrum 1 weight 0.10000E+01 volume 0.12229E-01 ppm1 5.233 ppm2 4.601 CV 1
ASSI { 329}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 93 and name HG12))
3.400 2.900 2.600 peak 329 spectrum 1 weight 0.10000E+01 volume 0.13251E-02 ppm1 5.233 ppm2 1.416 CV 1
ASSI { 330}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 93 and name HD1%)
4.000 3.500 2.000 peak 330 spectrum 1 weight 0.10000E+01 volume 0.13572E-02 ppm1 5.233 ppm2 0.753 CV 1
OR { 330}
(( segid " " and resid 76 and name HA ))
( segid " " and resid 93 and name HG2%)
ASSI { 331}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 93 and name HG13))
2.700 2.400 2.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.28866E-02 ppm1 5.233 ppm2 0.970 CV 1
ASSI { 332}
(( segid " " and resid 76 and name HA ))
(( segid " " and resid 77 and name HB3 ))
5.300 5.000 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.24575E-03 ppm1 5.233 ppm2 2.622 CV 1
ASSI { 335}
(( segid " " and resid 76 and name HB3 ))
(( segid " " and resid 90 and name HB2 ))
4.700 4.300 1.300 peak 335 spectrum 1 weight 0.10000E+01 volume 0.28311E-03 ppm1 3.280 ppm2 2.825 CV 1
ASSI { 337}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 92 and name HA ))
4.400 3.900 1.600 peak 337 spectrum 1 weight 0.10000E+01 volume 0.56330E-03 ppm1 3.395 ppm2 4.601 CV 1
ASSI { 339}
(( segid " " and resid 78 and name HA ))
( segid " " and resid 91 and name HG2%)
6.000 6.000 0.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.36483E-04 ppm1 5.884 ppm2 1.047 CV 1
ASSI { 340}
(( segid " " and resid 78 and name HB3 ))
(( segid " " and resid 78 and name HB2 ))
1.900 1.900 2.000 peak 340 spectrum 1 weight 0.10000E+01 volume 0.95147E-02 ppm1 2.739 ppm2 2.946 CV 1
ASSI { 344}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB2 ))
2.500 2.300 2.300 peak 344 spectrum 1 weight 0.10000E+01 volume 0.63628E-02 ppm1 4.456 ppm2 4.065 CV 1
ASSI { 345}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 79 and name HB3 ))
2.400 2.200 2.200 peak 345 spectrum 1 weight 0.10000E+01 volume 0.78802E-02 ppm1 4.456 ppm2 3.985 CV 1
ASSI { 346}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 23 and name HG2 ))
3.400 2.900 2.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.13076E-02 ppm1 4.456 ppm2 1.088 CV 1
ASSI { 348}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB2 ))
2.800 2.500 2.500 peak 348 spectrum 1 weight 0.10000E+01 volume 0.23963E-02 ppm1 5.297 ppm2 2.721 CV 1
ASSI { 349}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 77 and name HB3 ))
3.000 2.600 2.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.36775E-02 ppm1 5.297 ppm2 2.621 CV 1
ASSI { 350}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 93 and name HG12))
6.000 6.000 0.000 peak 350 spectrum 1 weight 0.10000E+01 volume 0.66836E-04 ppm1 5.298 ppm2 1.410 CV 1
ASSI { 351}
(( segid " " and resid 87 and name HB3 ))
( segid " " and resid 86 and name HG1%)
2.600 2.300 2.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.20402E-02 ppm1 2.509 ppm2 0.863 CV 1
OR { 351}
(( segid " " and resid 87 and name HB2 ))
( segid " " and resid 86 and name HG1%)
ASSI { 352}
(( segid " " and resid 88 and name HB ))
(( segid " " and resid 88 and name HG12))
3.400 3.000 2.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 1.843 ppm2 1.333 CV 1
ASSI { 355}
( segid " " and resid 88 and name HD1%)
(( segid " " and resid 78 and name HB3 ))
3.100 2.700 2.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.19935E-02 ppm1 0.693 ppm2 2.740 CV 1
ASSI { 356}
( segid " " and resid 88 and name HD1%)
(( segid " " and resid 80 and name HA2 ))
3.300 2.800 2.700 peak 356 spectrum 1 weight 0.10000E+01 volume 0.52536E-03 ppm1 0.693 ppm2 3.924 CV 1
ASSI { 357}
(( segid " " and resid 90 and name HA ))
(( segid " " and resid 90 and name HB2 ))
4.100 3.600 1.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.53995E-03 ppm1 5.834 ppm2 2.824 CV 1
ASSI { 360}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 90 and name HB2 ))
2.000 2.000 2.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.78219E-02 ppm1 2.613 ppm2 2.824 CV 1
ASSI { 363}
(( segid " " and resid 90 and name HB2 ))
(( segid " " and resid 44 and name HG12))
5.800 5.700 0.200 peak 363 spectrum 1 weight 0.10000E+01 volume 0.38526E-04 ppm1 2.824 ppm2 1.410 CV 1
ASSI { 365}
(( segid " " and resid 93 and name HG12))
(( segid " " and resid 93 and name HG13))
1.700 1.700 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.98944E-02 ppm1 1.414 ppm2 0.972 CV 1
ASSI { 366}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HG2 ))
5.100 4.800 0.900 peak 366 spectrum 1 weight 0.10000E+01 volume 0.37067E-03 ppm1 4.237 ppm2 2.046 CV 1
ASSI { 367}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB2 ))
2.400 2.200 2.200 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11791E-01 ppm1 4.237 ppm2 2.307 CV 1
ASSI { 368}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HB3 ))
2.200 2.100 2.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.60416E-02 ppm1 4.237 ppm2 1.860 CV 1
ASSI { 369}
(( segid " " and resid 55 and name HA ))
(( segid " " and resid 55 and name HG3 ))
3.000 2.600 2.600 peak 369 spectrum 1 weight 0.10000E+01 volume 0.43780E-02 ppm1 4.237 ppm2 1.952 CV 1
ASSI { 371}
(( segid " " and resid 62 and name HB3 ))
(( segid " " and resid 58 and name HN ))
5.400 5.100 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.85223E-03 ppm1 2.392 ppm2 7.066 CV 1
ASSI { 372}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 27 and name HN ))
6.000 6.000 0.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.13251E-04 ppm1 5.278 ppm2 9.167 CV 1
ASSI { 373}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 28 and name HB3 ))
5.100 4.800 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.39986E-03 ppm1 5.278 ppm2 2.453 CV 1
ASSI { 374}
(( segid " " and resid 51 and name HA ))
( segid " " and resid 54 and name HD1%)
5.500 5.300 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.25042E-03 ppm1 5.278 ppm2 0.701 CV 1
ASSI { 375}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HG3 ))
6.000 6.000 0.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.95147E-04 ppm1 5.278 ppm2 1.375 CV 1
OR { 375}
(( segid " " and resid 51 and name HA ))
(( segid " " and resid 52 and name HG2 ))
ASSI { 377}
( segid " " and resid 24 and name HG1%)
(( segid " " and resid 80 and name HA2 ))
6.000 6.000 0.000 peak 377 spectrum 1 weight 0.10000E+01 volume 0.16812E-03 ppm1 0.678 ppm2 3.933 CV 1
ASSI { 380}
(( segid " " and resid 90 and name HA ))
( segid " " and resid 42 and name HG2%)
4.300 3.800 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.54579E-03 ppm1 5.834 ppm2 0.707 CV 1
ASSI { 384}
(( segid " " and resid 90 and name HB2 ))
( segid " " and resid 88 and name HD1%)
3.000 2.600 2.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.91357E-03 ppm1 2.824 ppm2 0.693 CV 1
ASSI { 385}
(( segid " " and resid 90 and name HB3 ))
( segid " " and resid 42 and name HG2%)
5.800 5.700 0.200 peak 385 spectrum 1 weight 0.10000E+01 volume 0.18942E-03 ppm1 2.613 ppm2 0.714 CV 1
ASSI { 386}
(( segid " " and resid 90 and name HB2 ))
( segid " " and resid 42 and name HG2%)
3.500 3.100 2.500 peak 386 spectrum 1 weight 0.10000E+01 volume 0.77054E-03 ppm1 2.824 ppm2 0.713 CV 1
ASSI { 387}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 76 and name HB3 ))
3.400 3.000 2.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.91063E-03 ppm1 2.613 ppm2 3.280 CV 1
ASSI { 388}
(( segid " " and resid 90 and name HB3 ))
(( segid " " and resid 76 and name HB2 ))
3.800 3.300 2.200 peak 388 spectrum 1 weight 0.10000E+01 volume 0.10507E-02 ppm1 2.613 ppm2 3.393 CV 1
ASSI { 390}
(( segid " " and resid 90 and name HB2 ))
(( segid " " and resid 76 and name HB2 ))
4.600 4.200 1.400 peak 390 spectrum 1 weight 0.10000E+01 volume 0.53995E-03 ppm1 2.824 ppm2 3.394 CV 1
ASSI { 391}
(( segid " " and resid 23 and name HA ))
( segid " " and resid 24 and name HG1%)
6.000 6.000 0.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.34440E-04 ppm1 4.564 ppm2 0.678 CV 1
ASSI { 392}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG3 ))
4.800 4.400 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.28253E-03 ppm1 4.602 ppm2 2.046 CV 1
OR { 392}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HG2 ))
ASSI { 393}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB2 ))
2.700 2.400 2.400 peak 393 spectrum 1 weight 0.10000E+01 volume 0.56330E-02 ppm1 4.602 ppm2 1.998 CV 1
ASSI { 395}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 76 and name HB3 ))
4.200 3.700 1.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.73257E-03 ppm1 4.602 ppm2 3.282 CV 1
ASSI { 397}
( segid " " and resid 65 and name HD1%)
( segid " " and resid 65 and name HG2%)
2.600 2.300 2.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.56330E-02 ppm1 0.789 ppm2 1.025 CV 1
ASSI { 398}
( segid " " and resid 65 and name HD1%)
( segid " " and resid 70 and name HE% )
2.700 2.400 2.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.69755E-02 ppm1 0.789 ppm2 7.107 CV 1
ASSI { 399}
(( segid " " and resid 54 and name HB ))
( segid " " and resid 59 and name HD1%)
4.500 4.100 1.500 peak 399 spectrum 1 weight 0.10000E+01 volume 0.27815E-03 ppm1 1.494 ppm2 0.466 CV 1
ASSI { 400}
(( segid " " and resid 70 and name HA ))
( segid " " and resid 70 and name HD% )
3.400 2.900 2.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.26823E-02 ppm1 4.608 ppm2 7.117 CV 1
ASSI { 403}
( segid " " and resid 88 and name HD1%)
(( segid " " and resid 78 and name HB2 ))
3.500 3.000 2.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 0.693 ppm2 2.946 CV 1
ASSI { 404}
(( segid " " and resid 91 and name HA ))
( segid " " and resid 33 and name HD1%)
4.500 4.100 1.500 peak 404 spectrum 1 weight 0.10000E+01 volume 0.39110E-03 ppm1 4.863 ppm2 0.615 CV 1
ASSI { 406}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 13 and name HA ))
4.600 4.200 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.40569E-03 ppm1 3.510 ppm2 4.195 CV 1
ASSI { 407}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 15 and name HB% )
3.200 2.700 2.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.23845E-02 ppm1 3.510 ppm2 1.358 CV 1
ASSI { 408}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 67 and name HB ))
2.600 2.300 2.300 peak 408 spectrum 1 weight 0.10000E+01 volume 0.74429E-02 ppm1 3.510 ppm2 1.558 CV 1
OR { 408}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 67 and name HG12))
ASSI { 409}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 12 and name HB ))
3.900 3.400 2.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.18883E-03 ppm1 1.559 ppm2 2.352 CV 1
ASSI { 410}
( segid " " and resid 12 and name HG1%)
( segid " " and resid 70 and name HE% )
2.600 2.300 2.300 peak 410 spectrum 1 weight 0.10000E+01 volume 0.96024E-02 ppm1 1.054 ppm2 7.117 CV 1
OR { 410}
( segid " " and resid 12 and name HG1%)
( segid " " and resid 70 and name HD% )
OR { 410}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 70 and name HZ ))
ASSI { 413}
(( segid " " and resid 67 and name HB ))
(( segid " " and resid 67 and name HG13))
3.100 2.700 2.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.12521E-02 ppm1 1.559 ppm2 1.248 CV 1
ASSI { 415}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 67 and name HG13))
6.000 6.000 0.000 peak 415 spectrum 1 weight 0.10000E+01 volume 0.38234E-04 ppm1 2.357 ppm2 1.245 CV 1
ASSI { 416}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 14 and name HA ))
3.000 2.700 2.700 peak 416 spectrum 1 weight 0.10000E+01 volume 0.21482E-02 ppm1 2.121 ppm2 4.134 CV 1
OR { 416}
(( segid " " and resid 17 and name HB3 ))
(( segid " " and resid 14 and name HA ))
ASSI { 417}
(( segid " " and resid 76 and name HB2 ))
(( segid " " and resid 77 and name HB3 ))
4.200 3.700 1.800 peak 417 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 3.395 ppm2 2.632 CV 1
ASSI { 419}
( segid " " and resid 93 and name HD1%)
(( segid " " and resid 15 and name HA ))
3.400 2.900 2.600 peak 419 spectrum 1 weight 0.10000E+01 volume 0.21102E-02 ppm1 0.755 ppm2 3.874 CV 1
ASSI { 420}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 19 and name HB3 ))
3.400 2.900 2.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.13776E-02 ppm1 3.728 ppm2 2.753 CV 1
ASSI { 421}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 19 and name HB2 ))
3.500 3.100 2.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.11704E-02 ppm1 3.728 ppm2 2.845 CV 1
ASSI { 422}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HN ))
2.100 2.100 2.100 peak 422 spectrum 1 weight 0.10000E+01 volume 0.58373E-02 ppm1 4.461 ppm2 7.772 CV 1
ASSI { 423}
(( segid " " and resid 54 and name HG12))
(( segid " " and resid 26 and name HB2 ))
6.000 6.000 0.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.37651E-04 ppm1 1.470 ppm2 3.283 CV 1
ASSI { 424}
(( segid " " and resid 54 and name HA ))
(( segid " " and resid 55 and name HD2 ))
3.000 2.600 2.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.25130E-02 ppm1 4.367 ppm2 4.026 CV 1
ASSI { 425}
(( segid " " and resid 62 and name HA ))
( segid " " and resid 65 and name HG2%)
5.900 5.900 0.100 peak 425 spectrum 1 weight 0.10000E+01 volume 0.28632E-03 ppm1 5.103 ppm2 1.032 CV 1
ASSI { 427}
(( segid " " and resid 59 and name HA ))
(( segid " " and resid 58 and name HG13))
4.700 4.200 1.300 peak 427 spectrum 1 weight 0.10000E+01 volume 0.22736E-03 ppm1 3.699 ppm2 1.109 CV 1
ASSI { 428}
( segid " " and resid 65 and name HG2%)
(( segid " " and resid 66 and name HD3 ))
3.600 3.100 2.400 peak 428 spectrum 1 weight 0.10000E+01 volume 0.26793E-02 ppm1 1.023 ppm2 3.457 CV 1
ASSI { 430}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 25 and name HA ))
2.900 2.600 2.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.29478E-02 ppm1 5.298 ppm2 4.388 CV 1
ASSI { 431}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 92 and name HD3 ))
2.500 2.300 2.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.33273E-02 ppm1 4.863 ppm2 3.575 CV 1
ASSI { 432}
(( segid " " and resid 91 and name HA ))
(( segid " " and resid 92 and name HD2 ))
3.500 3.000 2.500 peak 432 spectrum 1 weight 0.10000E+01 volume 0.12171E-02 ppm1 4.863 ppm2 3.775 CV 1
ASSI { 434}
( segid " " and resid 12 and name HG1%)
(( segid " " and resid 63 and name HA ))
4.300 3.800 1.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.48450E-03 ppm1 1.054 ppm2 3.805 CV 1
ASSI { 435}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HD2 ))
2.600 2.300 2.300 peak 435 spectrum 1 weight 0.10000E+01 volume 0.60124E-02 ppm1 4.367 ppm2 3.812 CV 1
ASSI { 436}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 4 and name HD3 ))
1.300 1.300 1.700 peak 436 spectrum 1 weight 0.10000E+01 volume 0.75300E-01 ppm1 4.367 ppm2 3.597 CV 1
ASSI { 437}
(( segid " " and resid 53 and name HA ))
(( segid " " and resid 54 and name HG12))
5.400 5.100 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.30062E-03 ppm1 4.461 ppm2 1.473 CV 1
ASSI { 438}
(( segid " " and resid 62 and name HB2 ))
(( segid " " and resid 58 and name HN ))
5.600 5.500 0.400 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25830E-03 ppm1 2.928 ppm2 7.066 CV 1
ASSI { 441}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 93 and name HD1%)
3.100 2.700 2.700 peak 441 spectrum 1 weight 0.10000E+01 volume 0.49909E-02 ppm1 5.298 ppm2 0.755 CV 1
OR { 441}
(( segid " " and resid 77 and name HA ))
( segid " " and resid 93 and name HG2%)
ASSI { 442}
(( segid " " and resid 77 and name HA ))
(( segid " " and resid 26 and name HN ))
3.200 2.800 2.800 peak 442 spectrum 1 weight 0.10000E+01 volume 0.15469E-02 ppm1 5.298 ppm2 9.439 CV 1
ASSI { 443}
(( segid " " and resid 94 and name HA ))
( segid " " and resid 94 and name HD2%)
2.000 2.000 2.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.81433E-01 ppm1 4.451 ppm2 0.815 CV 1
ASSI { 444}
( segid " " and resid 5 and name HB% )
(( segid " " and resid 8 and name HB2 ))
5.200 4.900 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.18271E-03 ppm1 1.277 ppm2 1.910 CV 1
ASSI { 445}
(( segid " " and resid 8 and name HA ))
(( segid " " and resid 6 and name HD3 ))
6.000 6.000 0.000 peak 445 spectrum 1 weight 0.10000E+01 volume 0.10157E-04 ppm1 4.328 ppm2 3.579 CV 1
ASSI { 446}
(( segid " " and resid 16 and name HG2 ))
( segid " " and resid 25 and name HG1%)
3.800 3.300 2.200 peak 446 spectrum 1 weight 0.10000E+01 volume 0.29012E-02 ppm1 2.393 ppm2 0.852 CV 1
ASSI { 448}
(( segid " " and resid 92 and name HA ))
(( segid " " and resid 92 and name HB3 ))
2.500 2.300 2.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.29478E-02 ppm1 4.602 ppm2 1.789 CV 1
ASSI { 450}
(( segid " " and resid 4 and name HD2 ))
(( segid " " and resid 5 and name HA ))
3.800 3.300 2.200 peak 450 spectrum 1 weight 0.10000E+01 volume 0.98944E-03 ppm1 3.812 ppm2 4.511 CV 1
ASSI { 451}
(( segid " " and resid 4 and name HD2 ))
( segid " " and resid 65 and name HD1%)
3.400 2.900 2.600 peak 451 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 3.812 ppm2 0.788 CV 1
ASSI { 453}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 76 and name HB3 ))
5.300 5.000 0.700 peak 453 spectrum 1 weight 0.10000E+01 volume 0.14301E-03 ppm1 0.615 ppm2 3.280 CV 1
ASSI { 454}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 76 and name HA ))
5.600 5.500 0.400 peak 454 spectrum 1 weight 0.10000E+01 volume 0.16549E-03 ppm1 0.615 ppm2 5.232 CV 1
ASSI { 455}
( segid " " and resid 33 and name HD1%)
(( segid " " and resid 30 and name HA ))
4.100 3.600 1.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.12726E-03 ppm1 0.615 ppm2 4.543 CV 1
ASSI { 456}
(( segid " " and resid 52 and name HE3 ))
( segid " " and resid 54 and name HG2%)
6.000 6.000 0.000 peak 456 spectrum 1 weight 0.10000E+01 volume 0.61584E-04 ppm1 2.942 ppm2 0.745 CV 1
OR { 456}
(( segid " " and resid 52 and name HE2 ))
( segid " " and resid 54 and name HG2%)
ASSI { 457}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 41 and name HG2 ))
3.300 2.900 2.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.45823E-03 ppm1 0.711 ppm2 2.309 CV 1
ASSI { 458}
( segid " " and resid 88 and name HG2%)
(( segid " " and resid 79 and name HB3 ))
3.700 3.200 2.300 peak 458 spectrum 1 weight 0.10000E+01 volume 0.61292E-03 ppm1 0.711 ppm2 3.985 CV 1
ASSI { 459}
(( segid " " and resid 23 and name HD2 ))
(( segid " " and resid 23 and name HA ))
4.400 4.000 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.53995E-03 ppm1 1.478 ppm2 4.563 CV 1
OR { 459}
(( segid " " and resid 23 and name HD3 ))
(( segid " " and resid 23 and name HA ))
ASSI { 460}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 23 and name HD2 ))
4.200 3.700 1.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.11003E-02 ppm1 4.456 ppm2 1.478 CV 1
OR { 460}
(( segid " " and resid 79 and name HA ))
(( segid " " and resid 23 and name HD3 ))
ASSI { 461}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 55 and name HG3 ))
3.000 2.600 2.600 peak 461 spectrum 1 weight 0.10000E+01 volume 0.81433E-03 ppm1 0.731 ppm2 1.955 CV 1
ASSI { 462}
( segid " " and resid 33 and name HD2%)
(( segid " " and resid 34 and name HA ))
3.300 2.900 2.700 peak 462 spectrum 1 weight 0.10000E+01 volume 0.45239E-03 ppm1 0.729 ppm2 3.977 CV 1
ASSI { 463}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HG ))
2.400 2.200 2.200 peak 463 spectrum 1 weight 0.10000E+01 volume 0.70050E-02 ppm1 0.731 ppm2 1.570 CV 1
ASSI { 464}
( segid " " and resid 59 and name HD2%)
(( segid " " and resid 59 and name HA ))
3.100 2.700 2.700 peak 464 spectrum 1 weight 0.10000E+01 volume 0.29770E-02 ppm1 0.731 ppm2 3.700 CV 1
ASSI { 465}
(( segid " " and resid 90 and name HB3 ))
( segid " " and resid 44 and name HD1%)
3.300 2.800 2.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.50785E-03 ppm1 2.613 ppm2 0.825 CV 1
ASSI { 466}
(( segid " " and resid 91 and name HB ))
(( segid " " and resid 92 and name HD3 ))
4.100 3.600 1.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.18125E-02 ppm1 3.940 ppm2 3.576 CV 1
ASSI { 467}
(( segid " " and resid 91 and name HB ))
( segid " " and resid 42 and name HG2%)
4.900 4.600 1.100 peak 467 spectrum 1 weight 0.10000E+01 volume 0.42612E-04 ppm1 3.940 ppm2 0.711 CV 1
ASSI { 468}
( segid " " and resid 33 and name HD2%)
(( segid " " and resid 90 and name HB2 ))
4.000 3.500 2.000 peak 468 spectrum 1 weight 0.10000E+01 volume 0.62751E-03 ppm1 0.729 ppm2 2.824 CV 1
ASSI { 471}
( segid " " and resid 42 and name HG2%)
(( segid " " and resid 41 and name HG3 ))
4.300 3.800 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.96902E-04 ppm1 0.711 ppm2 2.243 CV 1
ASSI { 472}
(( segid " " and resid 26 and name HB2 ))
(( segid " " and resid 78 and name HB3 ))
4.500 4.000 1.500 peak 472 spectrum 1 weight 0.10000E+01 volume 0.53119E-03 ppm1 3.275 ppm2 2.741 CV 1
ASSI { 475}
(( segid " " and resid 26 and name HB3 ))
(( segid " " and resid 27 and name HN ))
4.900 4.400 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.30938E-03 ppm1 3.453 ppm2 9.167 CV 1
ASSI { 479}
(( segid " " and resid 10 and name HD3 ))
(( segid " " and resid 9 and name HA2 ))
2.800 2.500 2.500 peak 479 spectrum 1 weight 0.10000E+01 volume 0.31521E-02 ppm1 3.529 ppm2 4.091 CV 1
ASSI { 480}
(( segid " " and resid 10 and name HD2 ))
(( segid " " and resid 9 and name HA1 ))
4.000 3.500 2.000 peak 480 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 3.564 ppm2 3.986 CV 1
ASSI { 481}
(( segid " " and resid 9 and name HA2 ))
(( segid " " and resid 10 and name HD2 ))
2.200 2.100 2.100 peak 481 spectrum 1 weight 0.10000E+01 volume 0.10624E-01 ppm1 4.091 ppm2 3.564 CV 1
ASSI { 483}
(( segid " " and resid 66 and name HA ))
(( segid " " and resid 11 and name HA ))
2.200 2.100 2.100 peak 483 spectrum 1 weight 0.10000E+01 volume 0.97772E-02 ppm1 4.368 ppm2 4.565 CV 1
ASSI { 486}
(( segid " " and resid 86 and name HA ))
(( segid " " and resid 87 and name HA ))
5.200 4.900 0.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.17658E-03 ppm1 4.089 ppm2 5.369 CV 1
ASSI { 487}
( segid " " and resid 21 and name HB% )
(( segid " " and resid 22 and name HG2 ))
4.100 3.600 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.13805E-02 ppm1 1.350 ppm2 2.226 CV 1
ASSI { 488}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HG2 ))
6.000 6.000 0.000 peak 488 spectrum 1 weight 0.10000E+01 volume 0.17629E-03 ppm1 4.195 ppm2 2.399 CV 1
ASSI { 489}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB3 ))
4.100 3.600 1.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.30062E-03 ppm1 4.195 ppm2 1.954 CV 1
ASSI { 490}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 16 and name HB2 ))
4.300 3.800 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.32105E-03 ppm1 4.195 ppm2 2.202 CV 1
ASSI { 491}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HB2 ))
4.600 4.200 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.57498E-03 ppm1 4.195 ppm2 2.120 CV 1
OR { 491}
(( segid " " and resid 13 and name HA ))
(( segid " " and resid 17 and name HB3 ))
ASSI { 492}
(( segid " " and resid 62 and name HA ))
(( segid " " and resid 65 and name HG13))
4.100 3.600 1.900 peak 492 spectrum 1 weight 0.10000E+01 volume 0.48742E-03 ppm1 5.103 ppm2 1.407 CV 1
ASSI { 494}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 92 and name HB3 ))
2.700 2.400 2.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.38526E-02 ppm1 0.975 ppm2 1.787 CV 1
ASSI { 495}
( segid " " and resid 74 and name HG2%)
(( segid " " and resid 92 and name HB2 ))
3.400 2.900 2.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.49033E-02 ppm1 0.975 ppm2 1.998 CV 1
ASSI { 496}
( segid " " and resid 60 and name HG2%)
( segid " " and resid 61 and name HG2%)
3.400 2.900 2.600 peak 496 spectrum 1 weight 0.10000E+01 volume 0.31230E-02 ppm1 1.136 ppm2 0.836 CV 1
ASSI { 497}
(( segid " " and resid 16 and name HA ))
( segid " " and resid 25 and name HG1%)
2.700 2.400 2.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.63628E-02 ppm1 3.728 ppm2 0.851 CV 1
ASSI { 498}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 70 and name HD% )
2.900 2.600 2.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.35608E-02 ppm1 4.224 ppm2 7.123 CV 1
OR { 498}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 70 and name HE% )
ASSI { 499}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 65 and name HG2%)
3.700 3.200 2.300 peak 499 spectrum 1 weight 0.10000E+01 volume 0.85223E-03 ppm1 4.224 ppm2 1.025 CV 1
ASSI { 500}
(( segid " " and resid 67 and name HA ))
( segid " " and resid 12 and name HG1%)
5.400 5.100 0.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.87855E-04 ppm1 4.224 ppm2 1.054 CV 1
ASSI { 501}
(( segid " " and resid 70 and name HB3 ))
( segid " " and resid 54 and name HG2%)
4.100 3.600 1.900 peak 501 spectrum 1 weight 0.10000E+01 volume 0.10419E-02 ppm1 2.543 ppm2 0.744 CV 1
ASSI { 502}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HG ))
2.700 2.400 2.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.35024E-02 ppm1 4.568 ppm2 1.517 CV 1
ASSI { 503}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB3 ))
2.600 2.300 2.300 peak 503 spectrum 1 weight 0.10000E+01 volume 0.54871E-02 ppm1 4.568 ppm2 1.624 CV 1
ASSI { 504}
(( segid " " and resid 85 and name HA ))
(( segid " " and resid 85 and name HB2 ))
2.700 2.400 2.400 peak 504 spectrum 1 weight 0.10000E+01 volume 0.57498E-02 ppm1 4.568 ppm2 1.684 CV 1
ASSI { 505}
(( segid " " and resid 85 and name HA ))
( segid " " and resid 85 and name HD2%)
3.300 2.900 2.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.41445E-02 ppm1 4.568 ppm2 0.826 CV 1
ASSI { 507}
(( segid " " and resid 26 and name HA ))
(( segid " " and resid 53 and name HB2 ))
4.400 4.000 1.600 peak 507 spectrum 1 weight 0.10000E+01 volume 0.11616E-02 ppm1 5.001 ppm2 2.593 CV 1
ASSI { 508}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 13 and name HB3 ))
4.200 3.700 1.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 2.356 ppm2 3.823 CV 1
ASSI { 509}
(( segid " " and resid 12 and name HB ))
(( segid " " and resid 63 and name HA ))
3.600 3.100 2.400 peak 509 spectrum 1 weight 0.10000E+01 volume 0.15002E-02 ppm1 2.357 ppm2 3.796 CV 1
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