NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8729 |
1mqy   |
5582 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
ASSI { 5}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.200 0.600 0.600 peak 5 weight 0.10000E+01 volume 0.94368E-02 ppm1 10.476 ppm2 4.993 CV 1
ASSI { 6}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB ))
2.200 0.600 0.600 peak 6 weight 0.10000E+01 volume 0.88421E-02 ppm1 10.476 ppm2 3.675 CV 1
ASSI { 12}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.300 1.400 1.400 peak 12 weight 0.10000E+01 volume 0.77266E-03 ppm1 8.689 ppm2 2.202 CV 1
ASSI { 13}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.000 1.200 1.200 peak 13 weight 0.10000E+01 volume 0.12776E-02 ppm1 8.689 ppm2 1.937 CV 1
ASSI { 14}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA2 ))
2.500 0.800 0.800 peak 14 weight 0.10000E+01 volume 0.37715E-02 ppm1 8.683 ppm2 3.868 CV 1
ASSI { 15}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HA ))
2.100 0.600 0.600 peak 15 weight 0.10000E+01 volume 0.10534E-01 ppm1 8.671 ppm2 4.261 CV 1
ASSI { 16}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.700 0.900 0.900 peak 16 weight 0.10000E+01 volume 0.26875E-02 ppm1 8.671 ppm2 4.181 CV 1
ASSI { 18}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.600 0.800 0.800 peak 18 weight 0.10000E+01 volume 0.32791E-02 ppm1 8.671 ppm2 2.876 CV 1
ASSI { 19}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.400 0.700 0.700 peak 19 weight 0.10000E+01 volume 0.46264E-02 ppm1 8.671 ppm2 2.765 CV 1
ASSI { 20}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB ))
2.900 1.100 1.100 peak 20 weight 0.10000E+01 volume 0.15730E-02 ppm1 8.671 ppm2 2.111 CV 1
ASSI { 21}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG2%)
2.600 0.900 0.900 peak 21 weight 0.10000E+01 volume 0.30895E-02 ppm1 8.671 ppm2 0.911 CV 1
ASSI { 22}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 22 weight 0.10000E+01 volume 0.25095E-02 ppm1 8.642 ppm2 4.611 CV 1
ASSI { 23}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.200 0.600 0.600 peak 23 weight 0.10000E+01 volume 0.85838E-02 ppm1 8.643 ppm2 4.353 CV 1
ASSI { 24}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
2.200 0.600 0.600 peak 24 weight 0.10000E+01 volume 0.88603E-02 ppm1 8.643 ppm2 3.423 CV 1
ASSI { 26}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
2.500 0.800 0.800 peak 26 weight 0.10000E+01 volume 0.39525E-02 ppm1 8.643 ppm2 3.006 CV 1
ASSI { 27}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 2 and name HG2%)
3.100 1.200 1.200 peak 27 weight 0.10000E+01 volume 0.11392E-02 ppm1 8.643 ppm2 1.475 CV 1
ASSI { 28}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.700 0.900 0.900 peak 28 weight 0.10000E+01 volume 0.24374E-02 ppm1 8.635 ppm2 4.260 CV 1
ASSI { 29}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
2.600 0.900 0.900 peak 29 weight 0.10000E+01 volume 0.30034E-02 ppm1 8.634 ppm2 2.447 CV 1
OR { 29}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 30}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.900 1.100 1.100 peak 30 weight 0.10000E+01 volume 0.16167E-02 ppm1 8.634 ppm2 2.231 CV 1
ASSI { 31}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
2.600 0.900 0.900 peak 31 weight 0.10000E+01 volume 0.29349E-02 ppm1 8.634 ppm2 2.012 CV 1
ASSI { 32}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 32 weight 0.10000E+01 volume 0.25875E-02 ppm1 8.584 ppm2 4.994 CV 1
ASSI { 33}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.200 0.600 0.600 peak 33 weight 0.10000E+01 volume 0.83701E-02 ppm1 8.584 ppm2 4.940 CV 1
ASSI { 34}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 34 weight 0.10000E+01 volume 0.89864E-03 ppm1 8.583 ppm2 3.241 CV 1
ASSI { 35}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.500 1.600 1.600 peak 35 weight 0.10000E+01 volume 0.50659E-03 ppm1 8.585 ppm2 1.485 CV 1
ASSI { 36}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HG2%)
2.700 0.900 0.900 peak 36 weight 0.10000E+01 volume 0.26520E-02 ppm1 8.584 ppm2 1.382 CV 1
ASSI { 38}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.800 1.000 1.000 peak 38 weight 0.10000E+01 volume 0.19439E-02 ppm1 8.392 ppm2 4.262 CV 1
ASSI { 39}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA1 ))
2.400 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.49790E-02 ppm1 8.391 ppm2 4.028 CV 1
ASSI { 41}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB ))
2.600 0.900 0.900 peak 41 weight 0.10000E+01 volume 0.30173E-02 ppm1 8.391 ppm2 2.109 CV 1
ASSI { 42}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG1%)
! loosen 'caue 14/30 ciolation
! 2.400 0.700 0.700 peak 42 weight 0.10000E+01 volume 0.53023E-02 ppm1 8.391 ppm2 0.913 CV 1
2.800 1.000 1.000 peak 42 weight 0.10000E+01 volume 0.53023E-02 ppm1 8.391 ppm2 0.913 CV 1
ASSI { 44}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA1 ))
2.900 1.000 1.000 peak 44 weight 0.10000E+01 volume 0.17102E-02 ppm1 8.325 ppm2 3.954 CV 1
ASSI { 46}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.100 1.200 1.200 peak 46 weight 0.10000E+01 volume 0.10293E-02 ppm1 8.316 ppm2 4.259 CV 1
ASSI { 47}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HA ))
2.900 1.000 1.000 peak 47 weight 0.10000E+01 volume 0.16810E-02 ppm1 8.314 ppm2 4.765 CV 1
ASSI { 48}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.600 0.900 0.900 peak 48 weight 0.10000E+01 volume 0.29012E-02 ppm1 8.314 ppm2 3.239 CV 1
ASSI { 51}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.200 1.200 1.200 peak 51 weight 0.10000E+01 volume 0.99892E-03 ppm1 8.288 ppm2 3.890 CV 1
ASSI { 53}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HD1%)
3.100 1.200 1.200 peak 53 weight 0.10000E+01 volume 0.11936E-02 ppm1 8.285 ppm2 0.895 CV 1
ASSI { 54}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
3.500 1.500 1.500 peak 54 weight 0.10000E+01 volume 0.52620E-03 ppm1 8.195 ppm2 3.412 CV 1
ASSI { 55}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.900 1.100 1.100 peak 55 weight 0.10000E+01 volume 0.16244E-02 ppm1 8.193 ppm2 4.826 CV 1
ASSI { 56}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 3 and name HA ))
3.100 1.200 1.200 peak 56 weight 0.10000E+01 volume 0.10776E-02 ppm1 8.189 ppm2 4.609 CV 1
ASSI { 57}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HA ))
2.600 0.800 0.800 peak 57 weight 0.10000E+01 volume 0.33215E-02 ppm1 8.194 ppm2 4.494 CV 1
ASSI { 58}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG ))
2.600 0.800 0.800 peak 58 weight 0.10000E+01 volume 0.34747E-02 ppm1 8.194 ppm2 1.587 CV 1
ASSI { 59}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
2.700 0.900 0.900 peak 59 weight 0.10000E+01 volume 0.27938E-02 ppm1 8.194 ppm2 1.471 CV 1
OR { 59}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 60}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD1%)
3.200 1.300 1.300 peak 60 weight 0.10000E+01 volume 0.86584E-03 ppm1 8.193 ppm2 0.875 CV 1
OR { 60}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD2%)
ASSI { 61}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
3.400 1.400 1.400 peak 61 weight 0.10000E+01 volume 0.65152E-03 ppm1 8.193 ppm2 0.617 CV 1
ASSI { 62}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.200 0.600 0.600 peak 62 weight 0.10000E+01 volume 0.95591E-02 ppm1 8.150 ppm2 4.609 CV 1
ASSI { 63}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.100 1.200 1.200 peak 63 weight 0.10000E+01 volume 0.10526E-02 ppm1 8.151 ppm2 3.414 CV 1
ASSI { 64}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
2.800 1.000 1.000 peak 64 weight 0.10000E+01 volume 0.22293E-02 ppm1 8.150 ppm2 4.494 CV 1
ASSI { 65}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.600 1.600 1.600 peak 65 weight 0.10000E+01 volume 0.45659E-03 ppm1 8.150 ppm2 3.138 CV 1
ASSI { 66}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
2.700 0.900 0.900 peak 66 weight 0.10000E+01 volume 0.24102E-02 ppm1 8.150 ppm2 0.617 CV 1
ASSI { 70}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.500 1.500 1.500 peak 70 weight 0.10000E+01 volume 0.58227E-03 ppm1 8.077 ppm2 2.766 CV 1
ASSI { 71}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.800 1.000 1.000 peak 71 weight 0.10000E+01 volume 0.19087E-02 ppm1 8.074 ppm2 1.695 CV 1
ASSI { 74}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.900 1.000 1.000 peak 74 weight 0.10000E+01 volume 0.17610E-02 ppm1 8.065 ppm2 4.121 CV 1
ASSI { 75}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA1 ))
2.500 0.800 0.800 peak 75 weight 0.10000E+01 volume 0.41341E-02 ppm1 8.066 ppm2 4.028 CV 1
ASSI { 77}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA1 ))
2.800 1.000 1.000 peak 77 weight 0.10000E+01 volume 0.20824E-02 ppm1 8.066 ppm2 3.843 CV 1
ASSI { 78}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB ))
3.300 1.400 1.400 peak 78 weight 0.10000E+01 volume 0.74240E-03 ppm1 8.062 ppm2 3.422 CV 1
ASSI { 79}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HG2%)
2.400 0.700 0.700 peak 79 weight 0.10000E+01 volume 0.53970E-02 ppm1 8.065 ppm2 1.477 CV 1
ASSI { 80}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HD2%)
2.900 1.100 1.100 peak 80 weight 0.10000E+01 volume 0.15942E-02 ppm1 8.067 ppm2 0.911 CV 1
OR { 80}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 14 and name HD1%)
ASSI { 81}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.100 0.500 0.500 peak 81 weight 0.10000E+01 volume 0.12729E-01 ppm1 8.060 ppm2 4.355 CV 1
ASSI { 87}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
2.500 0.800 0.800 peak 87 weight 0.10000E+01 volume 0.39806E-02 ppm1 8.053 ppm2 2.118 CV 1
ASSI { 88}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG11))
2.900 1.000 1.000 peak 88 weight 0.10000E+01 volume 0.17984E-02 ppm1 8.053 ppm2 1.617 CV 1
OR { 88}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG12))
OR { 88}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HG2%)
ASSI { 90}
( segid " " and resid 3 and name HE% )
( segid " " and resid 4 and name HG2%)
3.000 1.100 1.100 peak 90 weight 0.10000E+01 volume 0.14310E-02 ppm1 7.297 ppm2 1.309 CV 1
ASSI { 96}
( segid " " and resid 3 and name HD% )
( segid " " and resid 4 and name HG2%)
2.800 1.000 1.000 peak 96 weight 0.10000E+01 volume 0.21583E-02 ppm1 7.275 ppm2 0.617 CV 1
ASSI { 99}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.300 1.400 1.400 peak 99 weight 0.10000E+01 volume 0.71328E-03 ppm1 6.800 ppm2 5.640 CV 1
ASSI { 102}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 15 and name HB ))
3.300 1.400 1.400 peak 102 weight 0.10000E+01 volume 0.72936E-03 ppm1 6.799 ppm2 3.675 CV 1
ASSI { 107}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 107 weight 0.10000E+01 volume 0.56963E-03 ppm1 8.390 ppm2 8.071 CV 1
ASSI { 109}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HN ))
2.600 0.800 0.800 peak 109 weight 0.10000E+01 volume 0.32385E-02 ppm1 8.284 ppm2 8.058 CV 1
ASSI { 110}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 20 and name HA ))
2.800 1.000 1.000 peak 110 weight 0.10000E+01 volume 0.22368E-02 ppm1 8.293 ppm2 6.805 CV 1
ASSI { 113}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
1.800 0.400 0.400 peak 113 weight 0.10000E+01 volume 0.29370E-01 ppm1 5.641 ppm2 5.242 CV 1
ASSI { 119}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 119 weight 0.10000E+01 volume 0.21854E-02 ppm1 3.243 ppm2 4.764 CV 1
ASSI { 122}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 2 and name HB ))
3.100 1.200 1.200 peak 122 weight 0.10000E+01 volume 0.11082E-02 ppm1 3.140 ppm2 3.422 CV 1
ASSI { 123}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.400 0.700 0.700 peak 123 weight 0.10000E+01 volume 0.47185E-02 ppm1 3.007 ppm2 4.609 CV 1
ASSI { 124}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 124 weight 0.10000E+01 volume 0.52366E-02 ppm1 2.962 ppm2 4.764 CV 1
ASSI { 129}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HB ))
2.400 0.700 0.700 peak 129 weight 0.10000E+01 volume 0.50704E-02 ppm1 2.880 ppm2 3.411 CV 1
ASSI { 131}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 131 weight 0.10000E+01 volume 0.50512E-02 ppm1 2.769 ppm2 4.181 CV 1
ASSI { 132}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 6 and name HD1 ))
3.100 1.200 1.200 peak 132 weight 0.10000E+01 volume 0.10779E-02 ppm1 2.767 ppm2 3.710 CV 1
ASSI { 133}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 4 and name HB ))
2.500 0.800 0.800 peak 133 weight 0.10000E+01 volume 0.38727E-02 ppm1 2.769 ppm2 3.411 CV 1
ASSI { 134}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HA ))
2.500 0.800 0.800 peak 134 weight 0.10000E+01 volume 0.41264E-02 ppm1 2.452 ppm2 4.258 CV 1
ASSI { 137}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
3.200 1.300 1.300 peak 137 weight 0.10000E+01 volume 0.99336E-03 ppm1 2.208 ppm2 3.710 CV 1
ASSI { 146}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HA ))
3.100 1.200 1.200 peak 146 weight 0.10000E+01 volume 0.10201E-02 ppm1 1.839 ppm2 4.351 CV 1
ASSI { 148}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD2 ))
2.600 0.800 0.800 peak 148 weight 0.10000E+01 volume 0.35297E-02 ppm1 1.839 ppm2 3.710 CV 1
ASSI { 149}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD1 ))
2.900 1.100 1.100 peak 149 weight 0.10000E+01 volume 0.15259E-02 ppm1 1.839 ppm2 3.631 CV 1
ASSI { 151}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 5 and name HA ))
3.000 1.100 1.100 peak 151 weight 0.10000E+01 volume 0.14797E-02 ppm1 1.594 ppm2 4.821 CV 1
ASSI { 156}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
3.200 1.300 1.300 peak 156 weight 0.10000E+01 volume 0.90911E-03 ppm1 1.474 ppm2 3.709 CV 1
OR { 156}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 6 and name HD2 ))
ASSI { 162}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 162 weight 0.10000E+01 volume 0.22450E-02 ppm1 1.234 ppm2 3.890 CV 1
ASSI { 165}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 11 and name HA ))
2.100 0.600 0.600 peak 165 weight 0.10000E+01 volume 0.11631E-01 ppm1 0.917 ppm2 4.261 CV 1
OR { 165}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 11 and name HA ))
ASSI { 166}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 12 and name HA ))
3.500 1.500 1.500 peak 166 weight 0.10000E+01 volume 0.54145E-03 ppm1 0.920 ppm2 4.184 CV 1
OR { 166}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HA ))
ASSI { 167}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 10 and name HA1 ))
3.300 1.400 1.400 peak 167 weight 0.10000E+01 volume 0.75117E-03 ppm1 0.917 ppm2 4.028 CV 1
OR { 167}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 10 and name HA1 ))
ASSI { 168}
( segid " " and resid 11 and name HG1%)
(( segid " " and resid 10 and name HA2 ))
3.400 1.400 1.400 peak 168 weight 0.10000E+01 volume 0.66010E-03 ppm1 0.918 ppm2 3.977 CV 1
ASSI { 173}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 2 and name HA ))
3.400 1.400 1.400 peak 173 weight 0.10000E+01 volume 0.69369E-03 ppm1 0.877 ppm2 4.353 CV 1
OR { 173}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 2 and name HA ))
ASSI { 174}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 174 weight 0.10000E+01 volume 0.89521E-02 ppm1 0.624 ppm2 3.411 CV 1
ASSI { 175}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.200 0.600 0.600 peak 175 weight 0.10000E+01 volume 0.83506E-02 ppm1 0.623 ppm2 4.494 CV 1
ASSI { 178}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 178 weight 0.10000E+01 volume 0.42664E-02 ppm1 1.490 ppm2 4.940 CV 1
ASSI { 181}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 14 and name HA ))
3.100 1.200 1.200 peak 181 weight 0.10000E+01 volume 0.10882E-02 ppm1 1.389 ppm2 4.943 CV 1
ASSI { 182}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 182 weight 0.10000E+01 volume 0.36864E-02 ppm1 0.952 ppm2 4.940 CV 1
ASSI { 187}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 5 and name HA ))
2.400 0.700 0.700 peak 187 weight 0.10000E+01 volume 0.56061E-02 ppm1 3.712 ppm2 4.826 CV 1
ASSI { 188}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 5 and name HA ))
2.400 0.700 0.700 peak 188 weight 0.10000E+01 volume 0.48665E-02 ppm1 3.633 ppm2 4.825 CV 1
ASSI { 190}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 4 and name HA ))
2.200 0.600 0.600 peak 190 weight 0.10000E+01 volume 0.77473E-02 ppm1 3.414 ppm2 4.494 CV 1
ASSI { 191}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HA ))
2.100 0.600 0.600 peak 191 weight 0.10000E+01 volume 0.10135E-01 ppm1 3.425 ppm2 4.353 CV 1
ASSI { 193}
(( segid " " and resid 10 and name HA2 ))
(( segid " " and resid 10 and name HA1 ))
1.800 0.400 0.400 peak 193 weight 0.10000E+01 volume 0.29212E-01 ppm1 3.984 ppm2 4.027 CV 1
ASSI { 194}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 7 and name HA2 ))
1.900 0.400 0.400 peak 194 weight 0.10000E+01 volume 0.22673E-01 ppm1 3.915 ppm2 4.012 CV 1
ASSI { 196}
(( segid " " and resid 9 and name HA1 ))
(( segid " " and resid 9 and name HA2 ))
2.000 0.500 0.500 peak 196 weight 0.10000E+01 volume 0.17766E-01 ppm1 3.829 ppm2 4.121 CV 1
ASSI { 197}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 8 and name HA1 ))
2.000 0.500 0.500 peak 197 weight 0.10000E+01 volume 0.16815E-01 ppm1 3.854 ppm2 3.955 CV 1
ASSI { 198}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HD2 ))
1.800 0.400 0.400 peak 198 weight 0.10000E+01 volume 0.30558E-01 ppm1 3.633 ppm2 3.710 CV 1
ASSI { 199}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
1.800 0.400 0.400 peak 199 weight 0.10000E+01 volume 0.26501E-01 ppm1 2.961 ppm2 3.240 CV 1
ASSI { 200}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HB1 ))
1.700 0.400 0.500 peak 200 weight 0.10000E+01 volume 0.42815E-01 ppm1 3.007 ppm2 3.138 CV 1
ASSI { 201}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HB1 ))
1.700 0.400 0.500 peak 201 weight 0.10000E+01 volume 0.35322E-01 ppm1 2.769 ppm2 2.876 CV 1
ASSI { 207}
(( segid " " and resid 14 and name HG ))
(( segid " " and resid 12 and name HB1 ))
3.200 1.300 1.300 peak 207 weight 0.10000E+01 volume 0.86261E-03 ppm1 1.315 ppm2 2.877 CV 1
ASSI { 209}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
2.900 1.100 1.100 peak 209 weight 0.10000E+01 volume 0.15495E-02 ppm1 0.623 ppm2 2.876 CV 1
ASSI { 212}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG1 ))
2.400 0.700 0.700 peak 212 weight 0.10000E+01 volume 0.55009E-02 ppm1 2.012 ppm2 2.447 CV 1
OR { 212}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 215}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HB2 ))
2.600 0.900 0.900 peak 215 weight 0.10000E+01 volume 0.29456E-02 ppm1 1.839 ppm2 2.202 CV 1
ASSI { 216}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 11 and name HB ))
2.800 1.000 1.000 peak 216 weight 0.10000E+01 volume 0.18935E-02 ppm1 1.699 ppm2 2.110 CV 1
ASSI { 219}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 11 and name HB ))
2.800 1.000 1.000 peak 219 weight 0.10000E+01 volume 0.19549E-02 ppm1 1.489 ppm2 2.110 CV 1
ASSI { 220}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HB ))
2.600 0.900 0.900 peak 220 weight 0.10000E+01 volume 0.29456E-02 ppm1 1.240 ppm2 2.119 CV 1
OR { 220}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 19 and name HB ))
OR { 220}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HB ))
ASSI { 223}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 14 and name HB2 ))
1.800 0.400 0.400 peak 223 weight 0.10000E+01 volume 0.32942E-01 ppm1 1.490 ppm2 1.694 CV 1
ASSI { 225}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 14 and name HB2 ))
2.900 1.100 1.100 peak 225 weight 0.10000E+01 volume 0.15516E-02 ppm1 1.388 ppm2 1.695 CV 1
ASSI { 230}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB2 ))
2.300 0.700 0.700 peak 230 weight 0.10000E+01 volume 0.62017E-02 ppm1 0.918 ppm2 1.695 CV 1
ASSI { 232}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HG ))
2.400 0.700 0.700 peak 232 weight 0.10000E+01 volume 0.58991E-02 ppm1 0.877 ppm2 1.588 CV 1
OR { 232}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HG ))
ASSI { 233}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HB1 ))
2.100 0.500 0.500 peak 233 weight 0.10000E+01 volume 0.12463E-01 ppm1 0.946 ppm2 1.482 CV 1
ASSI { 239}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB2 ))
2.000 0.500 0.500 peak 239 weight 0.10000E+01 volume 0.14541E-01 ppm1 0.872 ppm2 1.468 CV 1
OR { 239}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB1 ))
OR { 239}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB2 ))
ASSI { 240}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 19 and name HA ))
3.600 1.600 1.600 peak 240 weight 0.10000E+01 volume 0.43652E-03 ppm1 6.795 ppm2 3.887 CV 1
ASSI { 242}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 17 and name HB1 ))
! loosen 'cause 4/30 violation
! 3.800 1.800 1.800 peak 242 weight 0.10000E+01 volume 0.31503E-03 ppm1 7.271 ppm2 2.230 CV 1
3.800 1.800 1.800 peak 242 weight 0.10000E+01 volume 0.31503E-03 ppm1 7.271 ppm2 2.230 CV 1
ASSI { 246}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB2 ))
4.100 2.100 1.900 peak 246 weight 0.10000E+01 volume 0.20233E-03 ppm1 8.630 ppm2 5.237 CV 1
ASSI { 247}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.900 1.900 1.900 peak 247 weight 0.10000E+01 volume 0.29185E-03 ppm1 8.633 ppm2 5.640 CV 1
ASSI { 249}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
3.500 1.500 1.500 peak 249 weight 0.10000E+01 volume 0.53004E-03 ppm1 8.630 ppm2 4.993 CV 1
ASSI { 250}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HD2 ))
3.600 1.600 1.600 peak 250 weight 0.10000E+01 volume 0.48794E-03 ppm1 8.669 ppm2 3.711 CV 1
ASSI { 252}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB ))
3.600 1.600 1.600 peak 252 weight 0.10000E+01 volume 0.47596E-03 ppm1 8.585 ppm2 3.673 CV 1
ASSI { 253}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.500 1.500 1.500 peak 253 weight 0.10000E+01 volume 0.58072E-03 ppm1 8.584 ppm2 1.694 CV 1
ASSI { 255}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
3.700 1.700 1.700 peak 255 weight 0.10000E+01 volume 0.38189E-03 ppm1 8.316 ppm2 2.229 CV 1
ASSI { 256}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.600 1.600 1.600 peak 256 weight 0.10000E+01 volume 0.48754E-03 ppm1 8.314 ppm2 2.014 CV 1
ASSI { 258}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HA ))
3.800 1.800 1.800 peak 258 weight 0.10000E+01 volume 0.32908E-03 ppm1 8.143 ppm2 4.350 CV 1
ASSI { 259}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 2 and name HA ))
4.100 2.100 1.900 peak 259 weight 0.10000E+01 volume 0.21093E-03 ppm1 8.189 ppm2 4.352 CV 1
ASSI { 261}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HD1 ))
3.800 1.800 1.800 peak 261 weight 0.10000E+01 volume 0.31766E-03 ppm1 8.190 ppm2 3.631 CV 1
ASSI { 262}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
3.400 1.400 1.400 peak 262 weight 0.10000E+01 volume 0.68227E-03 ppm1 8.149 ppm2 3.002 CV 1
ASSI { 263}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 263 weight 0.10000E+01 volume 0.28734E-03 ppm1 8.191 ppm2 2.760 CV 1
ASSI { 264}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.900 1.900 1.900 peak 264 weight 0.10000E+01 volume 0.28258E-03 ppm1 8.074 ppm2 2.450 CV 1
OR { 264}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 265}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HG ))
4.000 2.000 2.000 peak 265 weight 0.10000E+01 volume 0.24935E-03 ppm1 8.148 ppm2 1.582 CV 1
ASSI { 267}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HG1 ))
3.800 1.800 1.800 peak 267 weight 0.10000E+01 volume 0.34619E-03 ppm1 8.670 ppm2 1.835 CV 1
ASSI { 268}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB2 ))
3.700 1.700 1.700 peak 268 weight 0.10000E+01 volume 0.37372E-03 ppm1 8.389 ppm2 1.694 CV 1
ASSI { 269}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.800 1.800 1.800 peak 269 weight 0.10000E+01 volume 0.31229E-03 ppm1 8.389 ppm2 1.488 CV 1
ASSI { 270}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 4 and name HA ))
3.800 1.800 1.800 peak 270 weight 0.10000E+01 volume 0.33206E-03 ppm1 7.275 ppm2 4.492 CV 1
ASSI { 271}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 6 and name HB1 ))
3.900 1.900 1.900 peak 271 weight 0.10000E+01 volume 0.27746E-03 ppm1 8.064 ppm2 1.937 CV 1
ASSI { 272}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 6 and name HB1 ))
4.200 2.200 1.800 peak 272 weight 0.10000E+01 volume 0.19031E-03 ppm1 8.321 ppm2 1.932 CV 1
ASSI { 275}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HN ))
3.300 1.300 1.300 peak 275 weight 0.10000E+01 volume 0.82741E-03 ppm1 8.669 ppm2 8.394 CV 1
ASSI { 277}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 4 and name HN ))
3.600 1.700 1.700 peak 277 weight 0.10000E+01 volume 0.42551E-03 ppm1 8.640 ppm2 8.150 CV 1
ASSI { 280}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB1 ))
2.100 0.500 0.500 peak 280 weight 0.10000E+01 volume 0.13045E-01 ppm1 0.912 ppm2 1.480 CV 1
ASSI { 287}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 20 and name HN ))
3.300 1.400 1.400 peak 287 weight 0.10000E+01 volume 0.70519E-03 ppm1 8.581 ppm2 8.292 CV 1
ASSI { 288}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 18 and name HA ))
3.600 1.600 1.600 peak 288 weight 0.10000E+01 volume 0.43591E-03 ppm1 3.896 ppm2 4.765 CV 1
ASSI { 289}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 6 and name HA ))
3.600 1.600 1.600 peak 289 weight 0.10000E+01 volume 0.47133E-03 ppm1 3.709 ppm2 4.348 CV 1
ASSI { 292}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HA ))
3.900 1.900 1.900 peak 292 weight 0.10000E+01 volume 0.26382E-03 ppm1 3.628 ppm2 4.351 CV 1
ASSI { 293}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 11 and name HA ))
3.300 1.400 1.400 peak 293 weight 0.10000E+01 volume 0.71600E-03 ppm1 3.630 ppm2 4.261 CV 1
ASSI { 297}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 14 and name HA ))
3.400 1.500 1.500 peak 297 weight 0.10000E+01 volume 0.61855E-03 ppm1 3.241 ppm2 4.941 CV 1
ASSI { 299}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.400 1.500 1.500 peak 299 weight 0.10000E+01 volume 0.59189E-03 ppm1 3.243 ppm2 4.690 CV 1
ASSI { 300}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 2 and name HA ))
3.900 1.900 1.900 peak 300 weight 0.10000E+01 volume 0.28010E-03 ppm1 3.139 ppm2 4.352 CV 1
ASSI { 301}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 14 and name HA ))
4.100 2.100 1.900 peak 301 weight 0.10000E+01 volume 0.19883E-03 ppm1 2.956 ppm2 4.940 CV 1
ASSI { 307}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 2 and name HB ))
3.700 1.700 1.700 peak 307 weight 0.10000E+01 volume 0.40473E-03 ppm1 2.616 ppm2 3.417 CV 1
ASSI { 311}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 5 and name HA ))
4.300 2.300 1.700 peak 311 weight 0.10000E+01 volume 0.16092E-03 ppm1 1.835 ppm2 4.815 CV 1
ASSI { 312}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 12 and name HB2 ))
3.900 1.900 1.900 peak 312 weight 0.10000E+01 volume 0.26630E-03 ppm1 1.836 ppm2 2.763 CV 1
ASSI { 317}
(( segid " " and resid 14 and name HB1 ))
(( segid " " and resid 11 and name HA ))
4.000 2.000 2.000 peak 317 weight 0.10000E+01 volume 0.22933E-03 ppm1 1.483 ppm2 4.262 CV 1
ASSI { 318}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HA ))
3.700 1.700 1.700 peak 318 weight 0.10000E+01 volume 0.41937E-03 ppm1 0.622 ppm2 4.608 CV 1
ASSI { 322}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
4.200 2.200 1.800 peak 322 weight 0.10000E+01 volume 0.18596E-03 ppm1 0.921 ppm2 2.965 CV 1
ASSI { 323}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
3.800 1.800 1.800 peak 323 weight 0.10000E+01 volume 0.31025E-03 ppm1 0.912 ppm2 2.875 CV 1
ASSI { 324}
( segid " " and resid 11 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
4.000 2.000 2.000 peak 324 weight 0.10000E+01 volume 0.22933E-03 ppm1 0.913 ppm2 2.768 CV 1
ASSI { 332}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 18 and name HB2 ))
3.900 1.900 1.900 peak 332 weight 0.10000E+01 volume 0.28001E-03 ppm1 2.115 ppm2 3.235 CV 1
ASSI { 333}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 18 and name HB1 ))
4.100 2.100 1.900 peak 333 weight 0.10000E+01 volume 0.21169E-03 ppm1 2.121 ppm2 2.960 CV 1
ASSI { 341}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
3.900 1.900 1.900 peak 341 weight 0.10000E+01 volume 0.30488E-03 ppm1 2.884 ppm2 3.626 CV 1
ASSI { 342}
(( segid " " and resid 7 and name HA2 ))
(( segid " " and resid 6 and name HA ))
3.800 1.800 1.800 peak 342 weight 0.10000E+01 volume 0.34782E-03 ppm1 4.033 ppm2 4.349 CV 1
ASSI { 343}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 6 and name HA ))
4.300 2.300 1.700 peak 343 weight 0.10000E+01 volume 0.15896E-03 ppm1 3.930 ppm2 4.348 CV 1
ASSI { 344}
(( segid " " and resid 10 and name HA1 ))
(( segid " " and resid 6 and name HA ))
3.800 1.800 1.800 peak 344 weight 0.10000E+01 volume 0.32422E-03 ppm1 4.042 ppm2 4.264 CV 1
ASSI { 345}
(( segid " " and resid 10 and name HA2 ))
(( segid " " and resid 6 and name HA ))
3.800 1.800 1.800 peak 345 weight 0.10000E+01 volume 0.32474E-03 ppm1 3.981 ppm2 4.264 CV 1
ASSI { 349}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 18 and name HA ))
4.200 2.200 1.800 peak 349 weight 0.10000E+01 volume 0.17063E-03 ppm1 1.620 ppm2 4.763 CV 1
ASSI { 351}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 12 and name HA ))
3.900 1.900 1.900 peak 351 weight 0.10000E+01 volume 0.27116E-03 ppm1 1.949 ppm2 4.180 CV 1
ASSI { 352}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HA ))
3.600 1.600 1.600 peak 352 weight 0.10000E+01 volume 0.49579E-03 ppm1 8.394 ppm2 4.178 CV 1
ASSI { 1}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
2.900 1.000 1.000 peak 1 weight 0.10000E+01 volume 0.18505E-02 ppm1 10.477 ppm2 5.642 CV 1
ASSI { 2}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
3.100 1.200 1.200 peak 2 weight 0.10000E+01 volume 0.12116E-02 ppm1 10.476 ppm2 8.638 CV 1
ASSI { 7}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HG2%)
2.700 0.900 0.900 peak 7 weight 0.10000E+01 volume 0.24427E-02 ppm1 10.477 ppm2 1.382 CV 1
ASSI { 9}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.200 0.600 0.600 peak 9 weight 0.10000E+01 volume 0.94035E-02 ppm1 8.690 ppm2 4.351 CV 1
ASSI { 25}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
2.300 0.700 0.700 peak 25 weight 0.10000E+01 volume 0.61477E-02 ppm1 8.642 ppm2 3.138 CV 1
ASSI { 39}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.300 0.700 0.700 peak 39 weight 0.10000E+01 volume 0.59255E-02 ppm1 8.391 ppm2 4.028 CV 1
ASSI { 43}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.600 0.800 0.800 peak 43 weight 0.10000E+01 volume 0.36095E-02 ppm1 8.325 ppm2 4.122 CV 1
ASSI { 49}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.900 1.100 1.100 peak 49 weight 0.10000E+01 volume 0.15904E-02 ppm1 8.314 ppm2 2.962 CV 1
ASSI { 50}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.300 1.400 1.400 peak 50 weight 0.10000E+01 volume 0.74438E-03 ppm1 8.313 ppm2 2.448 CV 1
OR { 50}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 52}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
2.500 0.800 0.800 peak 52 weight 0.10000E+01 volume 0.38943E-02 ppm1 8.286 ppm2 2.119 CV 1
ASSI { 68}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.200 0.600 0.600 peak 68 weight 0.10000E+01 volume 0.97862E-02 ppm1 8.077 ppm2 4.181 CV 1
ASSI { 69}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.200 1.300 1.300 peak 69 weight 0.10000E+01 volume 0.88929E-03 ppm1 8.074 ppm2 2.877 CV 1
! ASSI { 72}
! (( segid " " and resid 14 and name HN ))
! (( segid " " and resid 14 and name HG ))
! 2.600 0.800 0.800 peak 72 weight 0.10000E+01 volume 0.31819E-02 ppm1 8.076 ppm2 1.310 CV 1
ASSI { 72}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG ))
3.500 1.000 1.000 peak 72 weight 0.10000E+01 volume 0.31819E-02 ppm1 8.076 ppm2 1.310 CV 1
ASSI { 73}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
2.800 0.900 0.900 peak 73 weight 0.10000E+01 volume 0.22933E-02 ppm1 8.073 ppm2 4.941 CV 1
ASSI { 75}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.400 0.700 0.700 peak 75 weight 0.10000E+01 volume 0.46963E-02 ppm1 8.066 ppm2 4.028 CV 1
ASSI { 83}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.800 1.000 1.000 peak 83 weight 0.10000E+01 volume 0.21302E-02 ppm1 8.053 ppm2 4.764 CV 1
ASSI { 84}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.400 0.700 0.700 peak 84 weight 0.10000E+01 volume 0.56383E-02 ppm1 8.053 ppm2 3.893 CV 1
ASSI { 85}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.300 0.700 0.700 peak 85 weight 0.10000E+01 volume 0.65214E-02 ppm1 8.052 ppm2 3.240 CV 1
ASSI { 86}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.400 0.700 0.700 peak 86 weight 0.10000E+01 volume 0.58138E-02 ppm1 8.052 ppm2 2.963 CV 1
ASSI { 98}
(( segid " " and resid 3 and name HZ ))
( segid " " and resid 4 and name HG2%)
3.100 1.200 1.200 peak 98 weight 0.10000E+01 volume 0.12280E-02 ppm1 7.195 ppm2 0.618 CV 1
ASSI { 101}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.900 1.000 1.000 peak 101 weight 0.10000E+01 volume 0.17279E-02 ppm1 6.799 ppm2 5.242 CV 1
ASSI { 103}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 19 and name HG2%)
3.200 1.300 1.300 peak 103 weight 0.10000E+01 volume 0.94831E-03 ppm1 6.799 ppm2 0.893 CV 1
ASSI { 104}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.900 1.100 1.100 peak 104 weight 0.10000E+01 volume 0.16649E-02 ppm1 8.684 ppm2 8.330 CV 1
ASSI { 105}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 18 and name HN ))
2.600 0.800 0.800 peak 105 weight 0.10000E+01 volume 0.32193E-02 ppm1 8.634 ppm2 8.321 CV 1
ASSI { 106}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HN ))
3.400 1.400 1.400 peak 106 weight 0.10000E+01 volume 0.69069E-03 ppm1 8.642 ppm2 8.064 CV 1
ASSI { 108}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 10 and name HN ))
2.600 0.900 0.900 peak 108 weight 0.10000E+01 volume 0.30748E-02 ppm1 8.323 ppm2 8.066 CV 1
ASSI { 121}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HA ))
2.500 0.800 0.800 peak 121 weight 0.10000E+01 volume 0.43554E-02 ppm1 3.139 ppm2 4.610 CV 1
ASSI { 125}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 13 and name HA ))
3.100 1.200 1.200 peak 125 weight 0.10000E+01 volume 0.12316E-02 ppm1 2.962 ppm2 4.690 CV 1
ASSI { 128}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 128 weight 0.10000E+01 volume 0.49278E-02 ppm1 2.880 ppm2 4.181 CV 1
ASSI { 136}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.300 0.600 0.600 peak 136 weight 0.10000E+01 volume 0.71746E-02 ppm1 2.208 ppm2 4.350 CV 1
ASSI { 138}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HD1 ))
3.200 1.300 1.300 peak 138 weight 0.10000E+01 volume 0.94351E-03 ppm1 2.208 ppm2 3.632 CV 1
ASSI { 139}
(( segid " " and resid 19 and name HB ))
(( segid " " and resid 19 and name HA ))
2.800 1.000 1.000 peak 139 weight 0.10000E+01 volume 0.20323E-02 ppm1 2.123 ppm2 3.890 CV 1
ASSI { 140}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HA ))
2.500 0.800 0.800 peak 140 weight 0.10000E+01 volume 0.42189E-02 ppm1 2.114 ppm2 4.260 CV 1
ASSI { 142}
(( segid " " and resid 17 and name HB2 ))
(( segid " " and resid 17 and name HA ))
2.500 0.800 0.800 peak 142 weight 0.10000E+01 volume 0.40045E-02 ppm1 2.016 ppm2 4.258 CV 1
ASSI { 146}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 146 weight 0.10000E+01 volume 0.13187E-02 ppm1 1.839 ppm2 4.351 CV 1
ASSI { 148}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HD2 ))
2.500 0.800 0.800 peak 148 weight 0.10000E+01 volume 0.39829E-02 ppm1 1.839 ppm2 3.710 CV 1
ASSI { 149}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HD1 ))
2.700 0.900 0.900 peak 149 weight 0.10000E+01 volume 0.27832E-02 ppm1 1.839 ppm2 3.631 CV 1
ASSI { 150}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 19 and name HA ))
2.900 1.100 1.100 peak 150 weight 0.10000E+01 volume 0.15720E-02 ppm1 1.622 ppm2 3.891 CV 1
ASSI { 152}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD1 ))
3.200 1.300 1.300 peak 152 weight 0.10000E+01 volume 0.88450E-03 ppm1 1.595 ppm2 3.631 CV 1
ASSI { 164}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 13 and name HA ))
3.300 1.300 1.300 peak 164 weight 0.10000E+01 volume 0.81519E-03 ppm1 0.919 ppm2 4.693 CV 1
OR { 164}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 13 and name HA ))
ASSI { 171}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD2 ))
2.800 1.000 1.000 peak 171 weight 0.10000E+01 volume 0.19081E-02 ppm1 0.884 ppm2 3.710 CV 1
OR { 171}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD2 ))
ASSI { 172}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD1 ))
2.700 0.900 0.900 peak 172 weight 0.10000E+01 volume 0.25600E-02 ppm1 0.883 ppm2 3.631 CV 1
OR { 172}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD1 ))
ASSI { 173}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 2 and name HA ))
3.200 1.300 1.300 peak 173 weight 0.10000E+01 volume 0.96996E-03 ppm1 0.877 ppm2 4.353 CV 1
ASSI { 177}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HA ))
2.700 0.900 0.900 peak 177 weight 0.10000E+01 volume 0.27845E-02 ppm1 1.700 ppm2 4.941 CV 1
ASSI { 186}
(( segid " " and resid 15 and name HB ))
(( segid " " and resid 15 and name HA ))
2.200 0.600 0.600 peak 186 weight 0.10000E+01 volume 0.88376E-02 ppm1 3.677 ppm2 4.994 CV 1
ASSI { 192}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 12 and name HA ))
2.900 1.100 1.100 peak 192 weight 0.10000E+01 volume 0.15552E-02 ppm1 3.413 ppm2 4.181 CV 1
ASSI { 202}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HB2 ))
1.900 0.400 0.400 peak 202 weight 0.10000E+01 volume 0.23391E-01 ppm1 2.616 ppm2 3.084 CV 1
ASSI { 210}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
2.800 1.000 1.000 peak 210 weight 0.10000E+01 volume 0.19987E-02 ppm1 0.624 ppm2 2.766 CV 1
ASSI { 215}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 6 and name HB2 ))
2.500 0.800 0.800 peak 215 weight 0.10000E+01 volume 0.41511E-02 ppm1 1.839 ppm2 2.202 CV 1
ASSI { 241}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 15 and name HG2%)
3.500 1.600 1.600 peak 241 weight 0.10000E+01 volume 0.50607E-03 ppm1 6.801 ppm2 1.382 CV 1
ASSI { 243}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 17 and name HG1 ))
3.800 1.800 1.800 peak 243 weight 0.10000E+01 volume 0.35226E-03 ppm1 7.275 ppm2 2.443 CV 1
OR { 243}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 17 and name HG2 ))
ASSI { 251}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HD1 ))
3.500 1.500 1.500 peak 251 weight 0.10000E+01 volume 0.53596E-03 ppm1 8.668 ppm2 3.631 CV 1
ASSI { 257}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG2%)
3.600 1.600 1.600 peak 257 weight 0.10000E+01 volume 0.43822E-03 ppm1 8.287 ppm2 1.613 CV 1
OR { 257}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG11))
ASSI { 260}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HD2 ))
3.400 1.500 1.500 peak 260 weight 0.10000E+01 volume 0.62126E-03 ppm1 8.193 ppm2 3.710 CV 1
ASSI { 266}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HB2 ))
3.600 1.600 1.600 peak 266 weight 0.10000E+01 volume 0.49404E-03 ppm1 8.149 ppm2 1.475 CV 1
OR { 266}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 267}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 6 and name HG2 ))
3.600 1.600 1.600 peak 267 weight 0.10000E+01 volume 0.45967E-03 ppm1 8.670 ppm2 1.835 CV 1
ASSI { 273}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 3 and name HD% )
3.400 1.400 1.400 peak 273 weight 0.10000E+01 volume 0.67103E-03 ppm1 8.641 ppm2 7.276 CV 1
ASSI { 274}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 3 and name HD% )
3.400 1.500 1.500 peak 274 weight 0.10000E+01 volume 0.60367E-03 ppm1 8.149 ppm2 7.275 CV 1
ASSI { 276}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 10 and name HN ))
3.500 1.500 1.500 peak 276 weight 0.10000E+01 volume 0.53096E-03 ppm1 8.678 ppm2 8.070 CV 1
ASSI { 278}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 19 and name HN ))
3.700 1.700 1.700 peak 278 weight 0.10000E+01 volume 0.38283E-03 ppm1 8.585 ppm2 8.061 CV 1
ASSI { 279}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HA ))
3.300 1.400 1.400 peak 279 weight 0.10000E+01 volume 0.76442E-03 ppm1 8.067 ppm2 4.258 CV 1
ASSI { 290}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 11 and name HA ))
3.400 1.500 1.500 peak 290 weight 0.10000E+01 volume 0.62512E-03 ppm1 3.705 ppm2 4.258 CV 1
ASSI { 291}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 12 and name HA ))
3.400 1.400 1.400 peak 291 weight 0.10000E+01 volume 0.63820E-03 ppm1 3.710 ppm2 4.180 CV 1
ASSI { 295}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 3 and name HA ))
3.600 1.600 1.600 peak 295 weight 0.10000E+01 volume 0.46300E-03 ppm1 3.419 ppm2 4.606 CV 1
ASSI { 302}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 11 and name HA ))
3.500 1.600 1.600 peak 302 weight 0.10000E+01 volume 0.50853E-03 ppm1 2.879 ppm2 4.258 CV 1
ASSI { 303}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 11 and name HA ))
3.500 1.500 1.500 peak 303 weight 0.10000E+01 volume 0.56395E-03 ppm1 2.768 ppm2 4.261 CV 1
ASSI { 305}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
3.500 1.500 1.500 peak 305 weight 0.10000E+01 volume 0.52397E-03 ppm1 2.616 ppm2 4.852 CV 1
ASSI { 311}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 5 and name HA ))
3.700 1.700 1.700 peak 311 weight 0.10000E+01 volume 0.41259E-03 ppm1 1.835 ppm2 4.815 CV 1
ASSI { 312}
(( segid " " and resid 6 and name HG2 ))
(( segid " " and resid 12 and name HB2 ))
3.600 1.600 1.600 peak 312 weight 0.10000E+01 volume 0.43453E-03 ppm1 1.836 ppm2 2.763 CV 1
ASSI { 313}
(( segid " " and resid 19 and name HG11))
(( segid " " and resid 18 and name HB1 ))
3.400 1.400 1.400 peak 313 weight 0.10000E+01 volume 0.70040E-03 ppm1 1.625 ppm2 2.961 CV 1
ASSI { 314}
(( segid " " and resid 5 and name HG ))
(( segid " " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 314 weight 0.10000E+01 volume 0.41678E-03 ppm1 1.591 ppm2 3.712 CV 1
ASSI { 319}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB1 ))
3.800 1.800 1.800 peak 319 weight 0.10000E+01 volume 0.33442E-03 ppm1 0.624 ppm2 3.130 CV 1
ASSI { 320}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB2 ))
3.500 1.600 1.600 peak 320 weight 0.10000E+01 volume 0.49729E-03 ppm1 0.619 ppm2 2.994 CV 1
ASSI { 321}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 4 and name HB ))
3.500 1.600 1.600 peak 321 weight 0.10000E+01 volume 0.50534E-03 ppm1 0.882 ppm2 3.416 CV 1
OR { 321}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 4 and name HB ))
ASSI { 330}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 20 and name HN ))
3.800 1.800 1.800 peak 330 weight 0.10000E+01 volume 0.31184E-03 ppm1 10.474 ppm2 8.297 CV 1
ASSI { 331}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 20 and name HA ))
3.800 1.800 1.800 peak 331 weight 0.10000E+01 volume 0.34669E-03 ppm1 10.475 ppm2 6.804 CV 1
ASSI { 334}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 4 and name HA ))
3.400 1.400 1.400 peak 334 weight 0.10000E+01 volume 0.70250E-03 ppm1 0.880 ppm2 4.491 CV 1
OR { 334}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 4 and name HA ))
ASSI { 338}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HD2 ))
3.600 1.600 1.600 peak 338 weight 0.10000E+01 volume 0.44663E-03 ppm1 8.688 ppm2 3.713 CV 1
ASSI { 347}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 18 and name HB1 ))
3.700 1.700 1.700 peak 347 weight 0.10000E+01 volume 0.40315E-03 ppm1 1.242 ppm2 2.963 CV 1
ASSI { 351}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 12 and name HA ))
3.500 1.600 1.600 peak 351 weight 0.10000E+01 volume 0.51476E-03 ppm1 1.949 ppm2 4.180 CV 1
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