NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
8732 |
1mqz   |
5580 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB1 ))
3.200 1.200 1.200 peak 1 weight 0.11000E+01 volume 0.11766E-02 ppm1 10.475 ppm2 5.632 CV 1
ASSI { 2}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 16 and name HB2 ))
3.400 1.400 1.400 peak 2 weight 0.11000E+01 volume 0.26474E-02 ppm1 10.476 ppm2 5.238 CV 1
ASSI { 3}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.700 0.900 0.900 peak 3 weight 0.11000E+01 volume 0.40515E-02 ppm1 10.475 ppm2 5.025 CV 1
ASSI { 4}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB ))
2.400 0.700 0.700 peak 4 weight 0.11000E+01 volume 0.54229E-02 ppm1 10.475 ppm2 3.678 CV 1
ASSI { 5}
(( segid " " and resid 16 and name HN ))
( segid " " and resid 15 and name HG2%)
3.700 1.700 1.700 peak 5 weight 0.11000E+01 volume 0.18801E-02 ppm1 10.476 ppm2 1.379 CV 1
ASSI { 6}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
2.400 0.700 0.700 peak 6 weight 0.11000E+01 volume 0.55294E-02 ppm1 8.791 ppm2 4.350 CV 1
ASSI { 7}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA1 ))
2.500 0.800 0.800 peak 7 weight 0.11000E+01 volume 0.59847E-02 ppm1 8.791 ppm2 3.964 CV 1
OR { 7}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 7 and name HA2 ))
ASSI { 9}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
3.300 1.400 1.400 peak 9 weight 0.11000E+01 volume 0.11688E-02 ppm1 8.791 ppm2 1.932 CV 1
ASSI { 10}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.000 1.100 1.100 peak 10 weight 0.11000E+01 volume 0.28015E-02 ppm1 8.721 ppm2 2.401 CV 1
ASSI { 11}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG2 ))
3.700 1.700 1.700 peak 11 weight 0.11000E+01 volume 0.16612E-02 ppm1 8.721 ppm2 2.231 CV 1
OR { 11}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 12}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HB1 ))
2.700 0.900 0.900 peak 12 weight 0.11000E+01 volume 0.24651E-02 ppm1 8.720 ppm2 1.995 CV 1
ASSI { 13}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 6 and name HA ))
3.800 1.800 1.800 peak 13 weight 0.11000E+01 volume 0.63562E-03 ppm1 8.715 ppm2 4.354 CV 1
ASSI { 14}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HB ))
4.200 2.200 1.800 peak 14 weight 0.11000E+01 volume 0.55990E-03 ppm1 8.715 ppm2 3.682 CV 1
ASSI { 15}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 17 and name HA ))
2.400 0.700 0.700 peak 15 weight 0.11000E+01 volume 0.78974E-02 ppm1 8.712 ppm2 4.235 CV 1
ASSI { 16}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 16 weight 0.11000E+01 volume 0.19921E-02 ppm1 8.710 ppm2 4.159 CV 1
ASSI { 17}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA1 ))
2.400 0.700 0.700 peak 17 weight 0.11000E+01 volume 0.61091E-02 ppm1 8.709 ppm2 3.963 CV 1
ASSI { 18}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 8 and name HA2 ))
2.900 1.100 1.100 peak 18 weight 0.11000E+01 volume 0.30020E-02 ppm1 8.708 ppm2 3.852 CV 1
ASSI { 19}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 4 and name HB ))
3.100 1.200 1.200 peak 19 weight 0.11000E+01 volume 0.14777E-02 ppm1 8.710 ppm2 3.417 CV 1
ASSI { 20}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB1 ))
2.900 1.100 1.100 peak 20 weight 0.11000E+01 volume 0.25585E-02 ppm1 8.710 ppm2 2.879 CV 1
ASSI { 21}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 12 and name HB2 ))
2.700 0.900 0.900 peak 21 weight 0.11000E+01 volume 0.31204E-02 ppm1 8.710 ppm2 2.774 CV 1
ASSI { 24}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG1%)
3.400 1.500 1.500 peak 24 weight 0.11000E+01 volume 0.27798E-02 ppm1 8.710 ppm2 0.910 CV 1
OR { 24}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 11 and name HG2%)
ASSI { 25}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HA ))
3.000 1.100 1.100 peak 25 weight 0.11000E+01 volume 0.16952E-02 ppm1 8.658 ppm2 4.598 CV 1
ASSI { 26}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.400 0.700 0.700 peak 26 weight 0.11000E+01 volume 0.56472E-02 ppm1 8.658 ppm2 4.354 CV 1
ASSI { 27}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
2.300 0.700 0.700 peak 27 weight 0.11000E+01 volume 0.65633E-02 ppm1 8.658 ppm2 3.433 CV 1
ASSI { 29}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.300 1.400 1.400 peak 29 weight 0.11000E+01 volume 0.32097E-02 ppm1 8.657 ppm2 2.993 CV 1
ASSI { 30}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 2 and name HG2%)
3.100 1.200 1.200 peak 30 weight 0.11000E+01 volume 0.16983E-02 ppm1 8.657 ppm2 1.481 CV 1
ASSI { 32}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB2 ))
4.300 2.300 1.700 peak 32 weight 0.11000E+01 volume 0.64641E-03 ppm1 8.573 ppm2 1.485 CV 1
ASSI { 33}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HG ))
4.100 2.100 1.900 peak 33 weight 0.11000E+01 volume 0.74832E-03 ppm1 8.574 ppm2 0.946 CV 1
ASSI { 34}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HA ))
3.200 1.300 1.300 peak 34 weight 0.11000E+01 volume 0.12449E-02 ppm1 8.571 ppm2 5.025 CV 1
ASSI { 35}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB1 ))
4.400 2.500 1.600 peak 35 weight 0.11000E+01 volume 0.66197E-03 ppm1 8.572 ppm2 3.255 CV 1
ASSI { 36}
(( segid " " and resid 15 and name HN ))
( segid " " and resid 15 and name HG2%)
3.300 1.300 1.300 peak 36 weight 0.11000E+01 volume 0.20986E-02 ppm1 8.572 ppm2 1.380 CV 1
ASSI { 45}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HA ))
2.900 1.100 1.100 peak 45 weight 0.11000E+01 volume 0.19478E-02 ppm1 8.396 ppm2 4.234 CV 1
ASSI { 46}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA1 ))
2.800 1.000 1.000 peak 46 weight 0.11000E+01 volume 0.39161E-02 ppm1 8.398 ppm2 4.035 CV 1
ASSI { 47}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.700 0.900 0.900 peak 47 weight 0.11000E+01 volume 0.32401E-02 ppm1 8.398 ppm2 3.970 CV 1
ASSI { 48}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 11 and name HB ))
3.200 1.300 1.300 peak 48 weight 0.11000E+01 volume 0.24404E-02 ppm1 8.398 ppm2 2.081 CV 1
ASSI { 49}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG2%)
2.600 0.800 0.800 peak 49 weight 0.11000E+01 volume 0.43703E-02 ppm1 8.398 ppm2 0.914 CV 1
OR { 49}
(( segid " " and resid 11 and name HN ))
( segid " " and resid 11 and name HG1%)
ASSI { 57}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
3.600 1.600 1.600 peak 57 weight 0.11000E+01 volume 0.92551E-03 ppm1 8.321 ppm2 4.245 CV 1
ASSI { 58}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.400 1.500 1.500 peak 58 weight 0.11000E+01 volume 0.20901E-02 ppm1 8.318 ppm2 3.250 CV 1
ASSI { 59}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.100 1.200 1.200 peak 59 weight 0.11000E+01 volume 0.10182E-02 ppm1 8.317 ppm2 2.957 CV 1
ASSI { 60}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB2 ))
3.500 1.500 1.500 peak 60 weight 0.11000E+01 volume 0.71824E-03 ppm1 8.317 ppm2 2.401 CV 1
ASSI { 66}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA1 ))
3.000 1.100 1.100 peak 66 weight 0.11000E+01 volume 0.22710E-02 ppm1 8.284 ppm2 4.117 CV 1
ASSI { 68}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 9 and name HA2 ))
2.600 0.900 0.900 peak 68 weight 0.11000E+01 volume 0.45150E-02 ppm1 8.284 ppm2 3.841 CV 1
ASSI { 75}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
2.900 1.000 1.000 peak 75 weight 0.11000E+01 volume 0.27793E-02 ppm1 8.267 ppm2 2.119 CV 1
ASSI { 76}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
3.200 1.300 1.300 peak 76 weight 0.11000E+01 volume 0.13829E-02 ppm1 8.267 ppm2 3.897 CV 1
ASSI { 77}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HD1%)
3.300 1.400 1.400 peak 77 weight 0.11000E+01 volume 0.12352E-02 ppm1 8.266 ppm2 0.902 CV 1
ASSI { 78}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD1%)
3.800 1.800 1.800 peak 78 weight 0.11000E+01 volume 0.93712E-03 ppm1 8.204 ppm2 0.875 CV 1
OR { 78}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 5 and name HD2%)
ASSI { 79}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HA ))
2.900 1.000 1.000 peak 79 weight 0.11000E+01 volume 0.24610E-02 ppm1 8.201 ppm2 4.476 CV 1
ASSI { 80}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HG ))
2.800 1.000 1.000 peak 80 weight 0.11000E+01 volume 0.23529E-02 ppm1 8.201 ppm2 1.581 CV 1
ASSI { 81}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB2 ))
3.000 1.100 1.100 peak 81 weight 0.11000E+01 volume 0.22931E-02 ppm1 8.202 ppm2 1.458 CV 1
OR { 81}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 5 and name HB1 ))
ASSI { 82}
(( segid " " and resid 5 and name HN ))
( segid " " and resid 4 and name HG2%)
3.600 1.600 1.600 peak 82 weight 0.11000E+01 volume 0.78442E-03 ppm1 8.196 ppm2 0.590 CV 1
ASSI { 83}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HA ))
3.400 1.400 1.400 peak 83 weight 0.11000E+01 volume 0.85779E-03 ppm1 8.182 ppm2 4.696 CV 1
ASSI { 84}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.400 0.700 0.700 peak 84 weight 0.11000E+01 volume 0.53090E-02 ppm1 8.177 ppm2 4.159 CV 1
ASSI { 85}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 13 and name HG2%)
3.000 1.100 1.100 peak 85 weight 0.11000E+01 volume 0.18730E-02 ppm1 8.176 ppm2 1.315 CV 1
ASSI { 86}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HB ))
3.700 1.700 1.700 peak 86 weight 0.11000E+01 volume 0.86546E-03 ppm1 8.167 ppm2 3.415 CV 1
ASSI { 87}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB1 ))
3.800 1.800 1.800 peak 87 weight 0.11000E+01 volume 0.69260E-03 ppm1 8.168 ppm2 2.878 CV 1
ASSI { 88}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
3.600 1.600 1.600 peak 88 weight 0.11000E+01 volume 0.66948E-03 ppm1 8.169 ppm2 2.776 CV 1
ASSI { 89}
(( segid " " and resid 4 and name HN ))
( segid " " and resid 4 and name HG2%)
3.000 1.100 1.100 peak 89 weight 0.11000E+01 volume 0.19334E-02 ppm1 8.166 ppm2 0.590 CV 1
ASSI { 90}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.400 0.700 0.700 peak 90 weight 0.11000E+01 volume 0.59595E-02 ppm1 8.165 ppm2 4.596 CV 1
ASSI { 91}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 4 and name HA ))
3.000 1.200 1.200 peak 91 weight 0.11000E+01 volume 0.17147E-02 ppm1 8.165 ppm2 4.478 CV 1
ASSI { 92}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
4.300 2.400 1.700 peak 92 weight 0.11000E+01 volume 0.66438E-03 ppm1 8.163 ppm2 3.140 CV 1
ASSI { 93}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.600 1.600 1.600 peak 93 weight 0.11000E+01 volume 0.57803E-03 ppm1 8.164 ppm2 2.995 CV 1
ASSI { 94}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HA ))
3.400 1.400 1.400 peak 94 weight 0.11000E+01 volume 0.77193E-03 ppm1 8.108 ppm2 4.947 CV 1
ASSI { 95}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HA ))
3.400 1.400 1.400 peak 95 weight 0.11000E+01 volume 0.90261E-03 ppm1 8.105 ppm2 4.693 CV 1
ASSI { 96}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 12 and name HA ))
3.600 1.600 1.600 peak 96 weight 0.11000E+01 volume 0.90261E-03 ppm1 8.105 ppm2 4.157 CV 1
ASSI { 97}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB1 ))
3.200 1.300 1.300 peak 97 weight 0.11000E+01 volume 0.15239E-02 ppm1 8.108 ppm2 1.709 CV 1
ASSI { 98}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HB2 ))
2.900 1.100 1.100 peak 98 weight 0.11000E+01 volume 0.26968E-02 ppm1 8.106 ppm2 1.485 CV 1
ASSI { 100}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA1 ))
3.100 1.200 1.200 peak 100 weight 0.11000E+01 volume 0.16581E-02 ppm1 8.064 ppm2 4.117 CV 1
ASSI { 101}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA1 ))
2.900 1.000 1.000 peak 101 weight 0.11000E+01 volume 0.28521E-02 ppm1 8.064 ppm2 4.037 CV 1
ASSI { 102}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA2 ))
3.100 1.200 1.200 peak 102 weight 0.11000E+01 volume 0.19040E-02 ppm1 8.064 ppm2 3.837 CV 1
ASSI { 103}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 10 and name HA2 ))
2.700 0.900 0.900 peak 103 weight 0.11000E+01 volume 0.34193E-02 ppm1 8.064 ppm2 3.970 CV 1
ASSI { 104}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HA ))
2.300 0.700 0.700 peak 104 weight 0.11000E+01 volume 0.91751E-02 ppm1 8.040 ppm2 4.356 CV 1
ASSI { 105}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 2 and name HB ))
3.800 1.800 1.800 peak 105 weight 0.11000E+01 volume 0.97252E-03 ppm1 8.040 ppm2 3.432 CV 1
ASSI { 106}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 2 and name HG2%)
3.200 1.300 1.300 peak 106 weight 0.11000E+01 volume 0.31474E-02 ppm1 8.039 ppm2 1.480 CV 1
ASSI { 107}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 107 weight 0.11000E+01 volume 0.35544E-02 ppm1 8.033 ppm2 3.901 CV 1
ASSI { 110}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HB ))
2.600 0.900 0.900 peak 110 weight 0.11000E+01 volume 0.29068E-02 ppm1 8.034 ppm2 2.119 CV 1
ASSI { 111}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG12))
3.000 1.100 1.100 peak 111 weight 0.11000E+01 volume 0.13581E-02 ppm1 8.034 ppm2 1.625 CV 1
ASSI { 112}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 19 and name HG11))
3.400 1.500 1.500 peak 112 weight 0.11000E+01 volume 0.98468E-03 ppm1 8.034 ppm2 1.239 CV 1
ASSI { 113}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 19 and name HD1%)
3.700 1.700 1.700 peak 113 weight 0.11000E+01 volume 0.13650E-02 ppm1 8.035 ppm2 0.892 CV 1
!lowering weight
ASSI { 129}
( segid " " and resid 3 and name HD% )
( segid " " and resid 13 and name HG2%)
3.500 1.500 1.500 peak 129 weight 0.10000E+01 volume 0.11595E-02 ppm1 7.285 ppm2 1.316 CV 1
ASSI { 131}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HA ))
3.200 1.300 1.300 peak 131 weight 0.11000E+01 volume 0.37129E-02 ppm1 7.266 ppm2 4.597 CV 1
ASSI { 132}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 4 and name HA ))
4.000 2.000 2.000 peak 132 weight 0.11000E+01 volume 0.55507E-03 ppm1 7.266 ppm2 4.478 CV 1
ASSI { 133}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HB2 ))
2.600 0.800 0.800 peak 133 weight 0.11000E+01 volume 0.43794E-02 ppm1 7.266 ppm2 3.141 CV 1
ASSI { 134}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HB1 ))
2.500 0.800 0.800 peak 134 weight 0.11000E+01 volume 0.53297E-02 ppm1 7.266 ppm2 2.993 CV 1
ASSI { 135}
( segid " " and resid 3 and name HD% )
( segid " " and resid 4 and name HG2%)
3.000 1.100 1.100 peak 135 weight 0.11000E+01 volume 0.18306E-02 ppm1 7.268 ppm2 0.589 CV 1
!lowering weight
ASSI { 136}
( segid " " and resid 3 and name HE% )
( segid " " and resid 13 and name HG2%)
3.600 1.600 1.600 peak 136 weight 0.10000E+01 volume 0.70372E-03 ppm1 7.184 ppm2 1.319 CV 1
ASSI { 137}
( segid " " and resid 3 and name HE% )
( segid " " and resid 4 and name HG2%)
3.600 1.600 1.600 peak 137 weight 0.11000E+01 volume 0.10091E-02 ppm1 7.184 ppm2 0.590 CV 1
ASSI { 138}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB1 ))
3.600 1.600 1.600 peak 138 weight 0.11000E+01 volume 0.80804E-03 ppm1 6.801 ppm2 5.629 CV 1
ASSI { 140}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 16 and name HB2 ))
2.900 1.000 1.000 peak 140 weight 0.11000E+01 volume 0.94792E-03 ppm1 6.802 ppm2 5.236 CV 1
ASSI { 141}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 15 and name HB ))
3.900 1.900 1.900 peak 141 weight 0.11000E+01 volume 0.84102E-03 ppm1 6.802 ppm2 3.677 CV 1
ASSI { 142}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 19 and name HD1%)
3.500 1.500 1.500 peak 142 weight 0.11000E+01 volume 0.86771E-03 ppm1 6.802 ppm2 0.904 CV 1
ASSI { 144}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HN ))
2.900 1.000 1.000 peak 144 weight 0.11000E+01 volume 0.21209E-02 ppm1 8.318 ppm2 8.721 CV 1
ASSI { 145}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HN ))
3.500 1.500 1.500 peak 145 weight 0.11000E+01 volume 0.76185E-03 ppm1 8.284 ppm2 8.703 CV 1
ASSI { 146}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 3 and name HN ))
4.500 2.600 1.500 peak 146 weight 0.11000E+01 volume 0.58674E-03 ppm1 8.040 ppm2 8.659 CV 1
ASSI { 149}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HN ))
3.500 1.500 1.500 peak 149 weight 0.11000E+01 volume 0.10917E-02 ppm1 8.062 ppm2 8.282 CV 1
ASSI { 150}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HN ))
3.600 1.700 1.700 peak 150 weight 0.11000E+01 volume 0.62948E-03 ppm1 8.034 ppm2 8.323 CV 1
ASSI { 151}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 20 and name HN ))
2.600 0.800 0.800 peak 151 weight 0.11000E+01 volume 0.19902E-02 ppm1 8.035 ppm2 8.265 CV 1
ASSI { 154}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 4 and name HN ))
3.600 1.700 1.700 peak 154 weight 0.11000E+01 volume 0.80804E-03 ppm1 7.267 ppm2 8.166 CV 1
ASSI { 156}
( segid " " and resid 3 and name HE% )
( segid " " and resid 3 and name HD% )
2.200 0.600 0.600 peak 156 weight 0.11000E+01 volume 0.10651E-01 ppm1 7.186 ppm2 7.284 CV 1
ASSI { 165}
(( segid " " and resid 16 and name HB2 ))
(( segid " " and resid 15 and name HB ))
4.300 2.300 1.700 peak 165 weight 0.11000E+01 volume 0.10543E-02 ppm1 5.235 ppm2 3.677 CV 1
ASSI { 167}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 15 and name HB ))
2.400 0.700 0.700 peak 167 weight 0.11000E+01 volume 0.80968E-02 ppm1 5.022 ppm2 3.677 CV 1
!lowering weight & increase center by 0.5 Angstrom
ASSI { 181}
(( segid " " and resid 19 and name HA ))
(( segid " " and resid 13 and name HA ))
3.500 1.100 1.100 peak 181 weight 0.10000E+01 volume 0.52705E-02 ppm1 3.905 ppm2 4.693 CV 1
ASSI { 183}
(( segid " " and resid 9 and name HA2 ))
(( segid " " and resid 9 and name HA1 ))
1.800 0.400 0.400 peak 183 weight 0.11000E+01 volume 0.14905E-01 ppm1 3.826 ppm2 4.115 CV 1
ASSI { 189}
(( segid " " and resid 2 and name HB ))
(( segid " " and resid 2 and name HA ))
2.300 0.700 0.700 peak 189 weight 0.11000E+01 volume 0.90661E-02 ppm1 3.432 ppm2 4.354 CV 1
ASSI { 198}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 19 and name HA ))
3.300 1.300 1.300 peak 198 weight 0.11000E+01 volume 0.33270E-02 ppm1 3.250 ppm2 3.903 CV 1
ASSI { 199}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 19 and name HA ))
3.100 1.200 1.200 peak 199 weight 0.11000E+01 volume 0.66871E-02 ppm1 2.958 ppm2 3.903 CV 1
ASSI { 202}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 202 weight 0.11000E+01 volume 0.30910E-02 ppm1 3.141 ppm2 4.597 CV 1
ASSI { 203}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 12 and name HA ))
2.600 0.800 0.800 peak 203 weight 0.11000E+01 volume 0.33299E-02 ppm1 2.880 ppm2 4.159 CV 1
ASSI { 204}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HA ))
2.800 1.000 1.000 peak 204 weight 0.11000E+01 volume 0.33981E-02 ppm1 2.775 ppm2 4.159 CV 1
ASSI { 208}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HA ))
2.400 0.700 0.700 peak 208 weight 0.11000E+01 volume 0.45997E-02 ppm1 2.188 ppm2 4.350 CV 1
ASSI { 210}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 210 weight 0.11000E+01 volume 0.53739E-02 ppm1 2.078 ppm2 4.473 CV 1
ASSI { 211}
(( segid " " and resid 11 and name HB ))
(( segid " " and resid 11 and name HA ))
2.700 0.900 0.900 peak 211 weight 0.11000E+01 volume 0.29241E-02 ppm1 2.081 ppm2 4.233 CV 1
ASSI { 216}
(( segid " " and resid 6 and name HB2 ))
(( segid " " and resid 6 and name HA ))
2.900 1.100 1.100 peak 216 weight 0.11000E+01 volume 0.34368E-02 ppm1 1.931 ppm2 4.350 CV 1
ASSI { 219}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HA ))
2.300 0.700 0.700 peak 219 weight 0.11000E+01 volume 0.84447E-02 ppm1 1.481 ppm2 4.354 CV 1
ASSI { 227}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HA ))
2.700 0.900 0.900 peak 227 weight 0.11000E+01 volume 0.65381E-02 ppm1 0.590 ppm2 4.477 CV 1
ASSI { 237}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD2 ))
3.200 1.300 1.300 peak 237 weight 0.11000E+01 volume 0.22696E-02 ppm1 1.810 ppm2 3.686 CV 1
ASSI { 242}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 2 and name HB ))
2.200 0.600 0.600 peak 242 weight 0.11000E+01 volume 0.11370E-01 ppm1 1.481 ppm2 3.432 CV 1
ASSI { 243}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 1 and name HA ))
2.900 1.000 1.000 peak 243 weight 0.11000E+01 volume 0.52969E-02 ppm1 1.481 ppm2 3.078 CV 1
ASSI { 244}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 1 and name HB2 ))
3.200 1.300 1.300 peak 244 weight 0.11000E+01 volume 0.23103E-02 ppm1 1.481 ppm2 2.617 CV 1
OR { 244}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 1 and name HB1 ))
ASSI { 245}
( segid " " and resid 2 and name HG2%)
(( segid " " and resid 3 and name HB1 ))
4.200 2.200 1.800 peak 245 weight 0.11000E+01 volume 0.16311E-02 ppm1 1.476 ppm2 2.982 CV 1
ASSI { 252}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 15 and name HB ))
2.300 0.700 0.700 peak 252 weight 0.11000E+01 volume 0.93291E-02 ppm1 1.381 ppm2 3.677 CV 1
ASSI { 255}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HA ))
3.000 1.100 1.100 peak 255 weight 0.11000E+01 volume 0.29795E-02 ppm1 0.921 ppm2 3.897 CV 1
ASSI { 256}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 256 weight 0.11000E+01 volume 0.76908E-02 ppm1 0.899 ppm2 3.896 CV 1
ASSI { 258}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
3.200 1.300 1.300 peak 258 weight 0.11000E+01 volume 0.19524E-02 ppm1 0.590 ppm2 2.880 CV 1
ASSI { 259}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
3.300 1.400 1.400 peak 259 weight 0.11000E+01 volume 0.17202E-02 ppm1 0.591 ppm2 2.774 CV 1
ASSI { 260}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HB2 ))
1.700 0.400 0.500 peak 260 weight 0.11000E+01 volume 0.17256E-01 ppm1 2.994 ppm2 3.142 CV 1
ASSI { 261}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HB1 ))
1.700 0.300 0.500 peak 261 weight 0.11000E+01 volume 0.14062E-01 ppm1 2.958 ppm2 3.249 CV 1
ASSI { 262}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HB ))
2.500 0.800 0.800 peak 262 weight 0.11000E+01 volume 0.38209E-02 ppm1 2.880 ppm2 3.414 CV 1
ASSI { 263}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 4 and name HB ))
2.600 0.800 0.800 peak 263 weight 0.11000E+01 volume 0.34621E-02 ppm1 2.775 ppm2 3.415 CV 1
ASSI { 264}
(( segid " " and resid 1 and name HB2 ))
(( segid " " and resid 1 and name HA ))
2.100 0.600 0.600 peak 264 weight 0.11000E+01 volume 0.14893E-01 ppm1 2.625 ppm2 3.079 CV 1
OR { 264}
(( segid " " and resid 1 and name HB1 ))
(( segid " " and resid 1 and name HA ))
ASSI { 266}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 12 and name HB1 ))
1.700 0.400 0.500 peak 266 weight 0.11000E+01 volume 0.17052E-01 ppm1 2.775 ppm2 2.879 CV 1
ASSI { 267}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 13 and name HA ))
2.500 0.800 0.800 peak 267 weight 0.11000E+01 volume 0.66575E-02 ppm1 1.316 ppm2 4.693 CV 1
ASSI { 268}
( segid " " and resid 15 and name HG2%)
(( segid " " and resid 15 and name HA ))
2.500 0.800 0.800 peak 268 weight 0.11000E+01 volume 0.62389E-02 ppm1 1.381 ppm2 5.026 CV 1
ASSI { 272}
(( segid " " and resid 8 and name HA2 ))
(( segid " " and resid 8 and name HA1 ))
1.800 0.400 0.400 peak 272 weight 0.11000E+01 volume 0.15559E-01 ppm1 3.840 ppm2 3.959 CV 1
ASSI { 275}
(( segid " " and resid 10 and name HA2 ))
(( segid " " and resid 10 and name HA1 ))
1.900 0.400 0.400 peak 275 weight 0.11000E+01 volume 0.13453E-01 ppm1 3.956 ppm2 4.033 CV 1
ASSI { 276}
(( segid " " and resid 17 and name HG2 ))
(( segid " " and resid 17 and name HB2 ))
2.400 0.700 0.700 peak 276 weight 0.11000E+01 volume 0.64241E-02 ppm1 2.232 ppm2 2.399 CV 1
OR { 276}
(( segid " " and resid 17 and name HG1 ))
(( segid " " and resid 17 and name HB2 ))
ASSI { 278}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG2 ))
2.300 0.600 0.600 peak 278 weight 0.11000E+01 volume 0.11088E-01 ppm1 1.993 ppm2 2.230 CV 1
OR { 278}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HG1 ))
ASSI { 285}
(( segid " " and resid 19 and name HG12))
(( segid " " and resid 19 and name HB ))
2.700 0.900 0.900 peak 285 weight 0.11000E+01 volume 0.31742E-02 ppm1 1.648 ppm2 2.116 CV 1
ASSI { 290}
(( segid " " and resid 14 and name HB2 ))
(( segid " " and resid 14 and name HB1 ))
1.600 0.300 0.600 peak 290 weight 0.11000E+01 volume 0.21609E-01 ppm1 1.485 ppm2 1.706 CV 1
ASSI { 291}
(( segid " " and resid 5 and name HB2 ))
(( segid " " and resid 5 and name HG ))
2.000 0.500 0.500 peak 291 weight 0.11000E+01 volume 0.20715E-01 ppm1 1.458 ppm2 1.583 CV 1
OR { 291}
(( segid " " and resid 5 and name HB1 ))
(( segid " " and resid 5 and name HG ))
ASSI { 294}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HB1 ))
2.400 0.700 0.700 peak 294 weight 0.11000E+01 volume 0.51388E-02 ppm1 0.919 ppm2 1.709 CV 1
ASSI { 295}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HG12))
2.500 0.800 0.800 peak 295 weight 0.11000E+01 volume 0.66652E-02 ppm1 0.926 ppm2 1.621 CV 1
ASSI { 296}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HG12))
2.600 0.800 0.800 peak 296 weight 0.11000E+01 volume 0.44413E-02 ppm1 0.901 ppm2 1.618 CV 1
ASSI { 298}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB2 ))
2.300 0.700 0.700 peak 298 weight 0.11000E+01 volume 0.76963E-02 ppm1 0.951 ppm2 1.485 CV 1
ASSI { 300}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB1 ))
2.300 0.600 0.600 peak 300 weight 0.11000E+01 volume 0.12087E-01 ppm1 0.874 ppm2 1.456 CV 1
OR { 300}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB2 ))
OR { 300}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 5 and name HB1 ))
OR { 300}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 5 and name HB2 ))
ASSI { 301}
( segid " " and resid 19 and name HG2%)
(( segid " " and resid 19 and name HG11))
2.600 0.800 0.800 peak 301 weight 0.11000E+01 volume 0.56658E-02 ppm1 0.927 ppm2 1.237 CV 1
ASSI { 302}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HG11))
2.600 0.800 0.800 peak 302 weight 0.11000E+01 volume 0.44360E-02 ppm1 0.899 ppm2 1.238 CV 1
ASSI { 304}
( segid " " and resid 19 and name HD1%)
(( segid " " and resid 19 and name HB ))
2.300 0.700 0.700 peak 304 weight 0.11000E+01 volume 0.10576E-01 ppm1 0.901 ppm2 2.112 CV 1
ASSI { 308}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HB1 ))
3.700 1.700 1.700 peak 308 weight 0.11000E+01 volume 0.89543E-03 ppm1 1.315 ppm2 2.881 CV 1
!lowering weight
ASSI { 309}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 18 and name HB2 ))
3.300 1.300 1.300 peak 309 weight 0.10000E+01 volume 0.13198E-02 ppm1 1.315 ppm2 2.959 CV 1
ASSI { 312}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD2 ))
3.000 1.100 1.100 peak 312 weight 0.11000E+01 volume 0.75977E-03 ppm1 0.877 ppm2 3.684 CV 1
OR { 312}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD2 ))
ASSI { 325}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HA ))
4.000 2.000 2.000 peak 325 weight 0.11000E+01 volume 0.10531E-02 ppm1 1.807 ppm2 4.347 CV 1
ASSI { 328}
(( segid " " and resid 18 and name HB1 ))
(( segid " " and resid 18 and name HA ))
3.300 1.400 1.400 peak 328 weight 0.11000E+01 volume 0.72542E-03 ppm1 3.243 ppm2 4.756 CV 1
ASSI { 329}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 18 and name HA ))
3.500 1.500 1.500 peak 329 weight 0.11000E+01 volume 0.10840E-02 ppm1 2.961 ppm2 4.756 CV 1
!lowering weight
ASSI { 330}
(( segid " " and resid 18 and name HB2 ))
(( segid " " and resid 13 and name HA ))
3.300 1.400 1.400 peak 330 weight 0.10000E+01 volume 0.79966E-03 ppm1 2.957 ppm2 4.696 CV 1
ASSI { 331}
(( segid " " and resid 3 and name HB1 ))
(( segid " " and resid 3 and name HA ))
2.900 1.000 1.000 peak 331 weight 0.11000E+01 volume 0.19392E-02 ppm1 2.993 ppm2 4.595 CV 1
ASSI { 332}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 4 and name HA ))
3.600 1.600 1.600 peak 332 weight 0.11000E+01 volume 0.15738E-02 ppm1 2.879 ppm2 4.478 CV 1
ASSI { 333}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 4 and name HA ))
3.300 1.400 1.400 peak 333 weight 0.11000E+01 volume 0.12324E-02 ppm1 2.775 ppm2 4.475 CV 1
ASSI { 334}
(( segid " " and resid 4 and name HB ))
(( segid " " and resid 12 and name HA ))
3.800 1.800 1.800 peak 334 weight 0.11000E+01 volume 0.10361E-02 ppm1 3.419 ppm2 4.162 CV 1
ASSI { 336}
(( segid " " and resid 7 and name HA1 ))
(( segid " " and resid 6 and name HA ))
4.300 2.400 1.700 peak 336 weight 0.11000E+01 volume 0.60570E-03 ppm1 3.964 ppm2 4.351 CV 1
ASSI { 339}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 11 and name HA ))
3.800 1.800 1.800 peak 339 weight 0.11000E+01 volume 0.60570E-03 ppm1 3.638 ppm2 4.234 CV 1
!lowering weight
ASSI { 348}
( segid " " and resid 4 and name HG2%)
( segid " " and resid 13 and name HG2%)
3.300 1.400 1.400 peak 348 weight 0.10000E+01 volume 0.17769E-02 ppm1 0.591 ppm2 1.317 CV 1
!lowering weight
ASSI { 349}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 18 and name HB1 ))
3.800 1.800 1.800 peak 349 weight 0.10000E+01 volume 0.61151E-03 ppm1 1.316 ppm2 3.247 CV 1
ASSI { 350}
( segid " " and resid 13 and name HG2%)
(( segid " " and resid 12 and name HB2 ))
3.600 1.700 1.700 peak 350 weight 0.11000E+01 volume 0.58022E-03 ppm1 1.316 ppm2 2.775 CV 1
ASSI { 351}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 12 and name HA ))
4.400 2.400 1.600 peak 351 weight 0.11000E+01 volume 0.76476E-03 ppm1 0.591 ppm2 4.159 CV 1
! ASSI { 352}
! ( segid " " and resid 4 and name HG2%)
! (( segid " " and resid 3 and name HA ))
! 4.400 2.400 1.600 peak 352 weight 0.11000E+01 volume 0.52243E-03 ppm1 0.590 ppm2 4.594 CV 1
ASSI { 355}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HA ))
3.600 1.600 1.600 peak 355 weight 0.11000E+01 volume 0.12381E-02 ppm1 0.920 ppm2 4.947 CV 1
ASSI { 356}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HA ))
3.900 1.900 1.900 peak 356 weight 0.11000E+01 volume 0.15514E-02 ppm1 0.950 ppm2 4.945 CV 1
ASSI { 366}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 17 and name HN ))
3.700 1.700 1.700 peak 366 weight 0.11000E+01 volume 0.51782E-03 ppm1 10.475 ppm2 8.716 CV 1
ASSI { 367}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 11 and name HN ))
3.800 1.800 1.800 peak 367 weight 0.11000E+01 volume 0.52790E-03 ppm1 8.061 ppm2 8.401 CV 1
! ASSI { 368}
! (( segid " " and resid 19 and name HN ))
! (( segid " " and resid 15 and name HN ))
! 4.300 2.300 1.700 peak 368 weight 0.11000E+01 volume 0.29140E-03 ppm1 8.038 ppm2 8.572 CV 1
! ASSI { 380}
! (( segid " " and resid 3 and name HB1 ))
! (( segid " " and resid 2 and name HA ))
! 5.800 4.200 0.200 peak 380 weight 0.11000E+01 volume 0.26387E-03 ppm1 2.994 ppm2 4.353 CV 1
ASSI { 382}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 382 weight 0.11000E+01 volume 0.84804E-03 ppm1 2.188 ppm2 3.684 CV 1
ASSI { 383}
(( segid " " and resid 6 and name HB1 ))
(( segid " " and resid 6 and name HD1 ))
3.000 1.100 1.100 peak 383 weight 0.11000E+01 volume 0.72142E-02 ppm1 2.192 ppm2 3.626 CV 1
ASSI { 407}
( segid " " and resid 4 and name HG2%)
( segid " " and resid 5 and name HD2%)
3.700 1.700 1.700 peak 407 weight 0.11000E+01 volume 0.98863E-03 ppm1 0.590 ppm2 0.879 CV 1
OR { 407}
( segid " " and resid 4 and name HG2%)
( segid " " and resid 5 and name HD1%)
ASSI { 408}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HB2 ))
4.600 2.600 1.400 peak 408 weight 0.11000E+01 volume 0.32577E-03 ppm1 0.588 ppm2 1.459 CV 1
OR { 408}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 5 and name HB1 ))
ASSI { 410}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB1 ))
4.900 3.000 1.100 peak 410 weight 0.11000E+01 volume 0.12364E-03 ppm1 0.591 ppm2 2.991 CV 1
ASSI { 418}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HG ))
2.900 1.100 1.100 peak 418 weight 0.11000E+01 volume 0.19174E-02 ppm1 0.950 ppm2 1.380 CV 1
ASSI { 424}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 19 and name HB ))
5.000 3.100 1.000 peak 424 weight 0.11000E+01 volume 0.18640E-03 ppm1 6.800 ppm2 2.118 CV 1
ASSI { 427}
( segid " " and resid 3 and name HD% )
( segid " " and resid 2 and name HG2%)
4.600 2.700 1.400 peak 427 weight 0.11000E+01 volume 0.30012E-03 ppm1 7.267 ppm2 1.477 CV 1
ASSI { 430}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 2 and name HA ))
4.800 2.800 1.200 peak 430 weight 0.11000E+01 volume 0.28678E-03 ppm1 7.266 ppm2 4.353 CV 1
ASSI { 433}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
4.800 2.900 1.200 peak 433 weight 0.11000E+01 volume 0.26353E-03 ppm1 8.033 ppm2 4.756 CV 1
ASSI { 435}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 15 and name HA ))
4.300 2.300 1.700 peak 435 weight 0.11000E+01 volume 0.27276E-03 ppm1 8.719 ppm2 5.026 CV 1
ASSI { 436}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 4 and name HA ))
4.000 2.000 2.000 peak 436 weight 0.11000E+01 volume 0.37229E-03 ppm1 8.708 ppm2 4.476 CV 1
ASSI { 437}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 11 and name HA ))
4.800 2.900 1.200 peak 437 weight 0.11000E+01 volume 0.15100E-03 ppm1 8.795 ppm2 4.240 CV 1
ASSI { 438}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 13 and name HB ))
3.700 1.700 1.700 peak 438 weight 0.11000E+01 volume 0.48088E-03 ppm1 8.176 ppm2 3.902 CV 1
! ASSI { 439}
! (( segid " " and resid 14 and name HN ))
! (( segid " " and resid 19 and name HA ))
! 4.600 2.700 1.400 peak 439 weight 0.11000E+01 volume 0.30337E-03 ppm1 8.103 ppm2 3.902 CV 1
ASSI { 440}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HB1 ))
4.800 2.800 1.200 peak 440 weight 0.11000E+01 volume 0.46754E-03 ppm1 8.267 ppm2 3.251 CV 1
ASSI { 441}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.400 2.400 1.600 peak 441 weight 0.11000E+01 volume 0.33056E-03 ppm1 8.269 ppm2 2.960 CV 1
ASSI { 442}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG1 ))
4.800 2.900 1.200 peak 442 weight 0.11000E+01 volume 0.30389E-03 ppm1 8.317 ppm2 2.230 CV 1
OR { 442}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HG2 ))
ASSI { 444}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.700 2.800 1.300 peak 444 weight 0.11000E+01 volume 0.49592E-03 ppm1 8.570 ppm2 1.708 CV 1
ASSI { 447}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG12))
3.900 1.900 1.900 peak 447 weight 0.11000E+01 volume 0.29037E-03 ppm1 8.274 ppm2 1.625 CV 1
ASSI { 452}
(( segid " " and resid 14 and name HN ))
( segid " " and resid 13 and name HG2%)
4.600 2.700 1.400 peak 452 weight 0.11000E+01 volume 0.34646E-03 ppm1 8.104 ppm2 1.316 CV 1
ASSI { 454}
(( segid " " and resid 12 and name HN ))
( segid " " and resid 4 and name HG2%)
4.500 2.500 1.500 peak 454 weight 0.11000E+01 volume 0.44924E-03 ppm1 8.710 ppm2 0.591 CV 1
!lowering weight
ASSI { 455}
(( segid " " and resid 13 and name HN ))
( segid " " and resid 19 and name HG2%)
4.500 2.500 1.500 peak 455 weight 0.10000E+01 volume 0.31774E-03 ppm1 8.179 ppm2 0.915 CV 1
ASSI { 456}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 14 and name HB2 ))
4.800 2.900 1.200 peak 456 weight 0.11000E+01 volume 0.37588E-03 ppm1 8.171 ppm2 1.467 CV 1
ASSI { 457}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 18 and name HB2 ))
4.300 2.300 1.700 peak 457 weight 0.11000E+01 volume 0.39742E-03 ppm1 8.575 ppm2 2.956 CV 1
ASSI { 458}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 15 and name HB ))
4.000 2.000 2.000 peak 458 weight 0.11000E+01 volume 0.42171E-03 ppm1 8.572 ppm2 3.678 CV 1
ASSI { 459}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HA2 ))
4.100 2.100 1.900 peak 459 weight 0.11000E+01 volume 0.33877E-03 ppm1 8.395 ppm2 3.886 CV 1
ASSI { 460}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 4 and name HB ))
3.700 1.700 1.700 peak 460 weight 0.11000E+01 volume 0.46224E-03 ppm1 8.198 ppm2 3.415 CV 1
ASSI { 461}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 15 and name HN ))
3.700 1.700 1.700 peak 461 weight 0.11000E+01 volume 0.33655E-03 ppm1 8.268 ppm2 8.572 CV 1
! ASSI { 462}
! (( segid " " and resid 13 and name HN ))
! (( segid " " and resid 12 and name HN ))
! 5.200 3.300 0.800 peak 462 weight 0.11000E+01 volume 0.13202E-03 ppm1 8.170 ppm2 8.710 CV 1
ASSI { 466}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 20 and name HA ))
4.700 2.800 1.300 peak 466 weight 0.11000E+01 volume 0.14707E-03 ppm1 10.473 ppm2 6.805 CV 1
ASSI { 469}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 17 and name HA ))
5.000 3.100 1.000 peak 469 weight 0.11000E+01 volume 0.28935E-03 ppm1 5.631 ppm2 4.246 CV 1
ASSI { 470}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 15 and name HB ))
3.900 1.900 1.900 peak 470 weight 0.11000E+01 volume 0.39383E-03 ppm1 5.631 ppm2 3.676 CV 1
! ASSI { 471}
! (( segid " " and resid 16 and name HB1 ))
! (( segid " " and resid 17 and name HB2 ))
! 5.300 3.500 0.700 peak 471 weight 0.11000E+01 volume 0.26660E-03 ppm1 5.629 ppm2 2.399 CV 1
! ASSI { 472}
! (( segid " " and resid 16 and name HB1 ))
! ( segid " " and resid 15 and name HG2%)
! 6.000 4.500 0.000 peak 472 weight 0.11000E+01 volume 0.00000E+00 ppm1 5.631 ppm2 1.378 CV 1
! ASSI { 490}
! ( segid " " and resid 3 and name HD% )
! (( segid " " and resid 17 and name HB2 ))
! 4.400 2.400 1.600 peak 490 weight 0.11000E+01 volume 0.24574E-03 ppm1 7.268 ppm2 2.402 CV 1
ASSI { 491}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 17 and name HG2 ))
4.900 2.900 1.100 peak 491 weight 0.11000E+01 volume 0.16331E-03 ppm1 7.266 ppm2 2.227 CV 1
OR { 491}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 17 and name HG1 ))
ASSI { 492}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HG1 ))
4.500 2.600 1.500 peak 492 weight 0.11000E+01 volume 0.28576E-03 ppm1 8.791 ppm2 1.807 CV 1
ASSI { 494}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 14 and name HB1 ))
4.600 2.600 1.400 peak 494 weight 0.11000E+01 volume 0.18999E-03 ppm1 8.397 ppm2 1.710 CV 1
ASSI { 495}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HG11))
4.700 2.700 1.300 peak 495 weight 0.11000E+01 volume 0.24985E-03 ppm1 8.266 ppm2 1.238 CV 1
! ASSI { 496}
! (( segid " " and resid 18 and name HN ))
! ( segid " " and resid 19 and name HG2%)
! 5.500 3.800 0.500 peak 496 weight 0.11000E+01 volume 0.14125E-03 ppm1 8.326 ppm2 0.904 CV 1
!lowering weight
ASSI { 497}
(( segid " " and resid 19 and name HN ))
( segid " " and resid 13 and name HG2%)
4.900 3.000 1.100 peak 497 weight 0.10000E+01 volume 0.33535E-03 ppm1 8.033 ppm2 1.314 CV 1
ASSI { 498}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 17 and name HB2 ))
4.500 2.500 2.500 peak 498 weight 0.11000E+01 volume 0.25207E-03 ppm1 8.175 ppm2 2.403 CV 1
ASSI { 502}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HA ))
4.600 2.600 1.400 peak 502 weight 0.11000E+01 volume 0.22676E-03 ppm1 8.201 ppm2 4.350 CV 1
! ASSI { 509}
! (( segid " " and resid 17 and name HN ))
! (( segid " " and resid 16 and name HB2 ))
! 4.700 2.800 1.300 peak 509 weight 0.11000E+01 volume 0.12039E-03 ppm1 8.718 ppm2 5.235 CV 1
ASSI { 510}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB1 ))
4.300 2.300 1.700 peak 510 weight 0.11000E+01 volume 0.32817E-03 ppm1 8.721 ppm2 5.633 CV 1
! ASSI { 516}
! (( segid " " and resid 19 and name HN ))
! (( segid " " and resid 13 and name HA ))
! 5.500 3.800 0.500 peak 516 weight 0.11000E+01 volume 0.72164E-04 ppm1 8.030 ppm2 4.694 CV 1
! ASSI { 517}
! (( segid " " and resid 10 and name HN ))
! (( segid " " and resid 6 and name HG2 ))
! 4.600 2.600 1.400 peak 517 weight 0.11000E+01 volume 0.23975E-03 ppm1 8.063 ppm2 1.929 CV 1
ASSI { 518}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HA ))
4.300 2.300 1.700 peak 518 weight 0.11000E+01 volume 0.41863E-03 ppm1 3.635 ppm2 4.350 CV 1
ASSI { 519}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 11 and name HA ))
3.900 1.900 1.900 peak 519 weight 0.11000E+01 volume 0.45574E-03 ppm1 3.689 ppm2 4.235 CV 1
ASSI { 520}
(( segid " " and resid 6 and name HD2 ))
(( segid " " and resid 12 and name HA ))
4.400 2.400 1.600 peak 520 weight 0.11000E+01 volume 0.25959E-03 ppm1 3.685 ppm2 4.153 CV 1
ASSI { 521}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 12 and name HA ))
4.600 2.700 1.400 peak 521 weight 0.11000E+01 volume 0.29379E-03 ppm1 3.639 ppm2 4.158 CV 1
ASSI { 524}
(( segid " " and resid 3 and name HB2 ))
(( segid " " and resid 2 and name HA ))
5.000 3.200 1.000 peak 524 weight 0.11000E+01 volume 0.40204E-03 ppm1 3.138 ppm2 4.354 CV 1
ASSI { 8}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
4.300 2.300 1.700 peak 8 weight 0.11000E+01 volume 0.83664E-03 ppm1 8.792 ppm2 2.187 CV 1
ASSI { 22}
(( segid " " and resid 12 and name HN ))
(( segid " " and resid 11 and name HB ))
2.700 0.900 0.900 peak 22 weight 0.11000E+01 volume 0.14559E-02 ppm1 8.711 ppm2 2.083 CV 1
ASSI { 28}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 3 and name HB2 ))
2.400 0.700 0.700 peak 28 weight 0.11000E+01 volume 0.44872E-02 ppm1 8.657 ppm2 3.142 CV 1
ASSI { 31}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
2.500 0.800 0.800 peak 31 weight 0.11000E+01 volume 0.30472E-02 ppm1 8.573 ppm2 4.944 CV 1
ASSI { 99}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 14 and name HG ))
3.000 1.100 1.100 peak 99 weight 0.11000E+01 volume 0.13604E-02 ppm1 8.102 ppm2 0.916 CV 1
ASSI { 108}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
2.500 0.800 0.800 peak 108 weight 0.11000E+01 volume 0.40002E-02 ppm1 8.033 ppm2 3.250 CV 1
ASSI { 109}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
2.000 0.500 0.500 peak 109 weight 0.11000E+01 volume 0.38405E-02 ppm1 8.033 ppm2 2.958 CV 1
ASSI { 143}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 12 and name HN ))
4.600 2.600 1.400 peak 143 weight 0.11000E+01 volume 0.68673E-03 ppm1 8.399 ppm2 8.705 CV 1
ASSI { 148}
( segid " " and resid 3 and name HD% )
(( segid " " and resid 3 and name HN ))
3.400 1.400 1.400 peak 148 weight 0.11000E+01 volume 0.75122E-03 ppm1 7.267 ppm2 8.660 CV 1
ASSI { 153}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 20 and name HN ))
2.400 0.700 0.700 peak 153 weight 0.11000E+01 volume 0.20228E-02 ppm1 6.807 ppm2 8.266 CV 1
ASSI { 158}
(( segid " " and resid 16 and name HB1 ))
(( segid " " and resid 16 and name HB2 ))
1.600 0.300 0.600 peak 158 weight 0.11000E+01 volume 0.41236E-01 ppm1 5.631 ppm2 5.237 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 0.11000E+01 volume 0.79056E-02 ppm1 3.416 ppm2 4.476 CV 1
ASSI { 233}
(( segid " " and resid 17 and name HB1 ))
(( segid " " and resid 17 and name HB2 ))
2.000 0.500 0.500 peak 233 weight 0.11000E+01 volume 0.45984E-02 ppm1 1.991 ppm2 2.400 CV 1
ASSI { 238}
(( segid " " and resid 6 and name HG1 ))
(( segid " " and resid 6 and name HD1 ))
2.600 0.800 0.800 peak 238 weight 0.11000E+01 volume 0.24036E-02 ppm1 1.811 ppm2 3.636 CV 1
ASSI { 257}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 4 and name HB ))
2.200 0.600 0.600 peak 257 weight 0.11000E+01 volume 0.88995E-02 ppm1 0.590 ppm2 3.415 CV 1
ASSI { 294}
( segid " " and resid 14 and name HD1%)
(( segid " " and resid 14 and name HB1 ))
2.500 0.800 0.800 peak 294 weight 0.11000E+01 volume 0.61129E-02 ppm1 0.919 ppm2 1.709 CV 1
ASSI { 298}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HB2 ))
2.300 0.700 0.700 peak 298 weight 0.11000E+01 volume 0.91548E-02 ppm1 0.951 ppm2 1.485 CV 1
ASSI { 311}
( segid " " and resid 5 and name HD1%)
(( segid " " and resid 6 and name HD1 ))
2.700 0.900 0.900 peak 311 weight 0.11000E+01 volume 0.13226E-02 ppm1 0.879 ppm2 3.634 CV 1
OR { 311}
( segid " " and resid 5 and name HD2%)
(( segid " " and resid 6 and name HD1 ))
ASSI { 320}
(( segid " " and resid 14 and name HG ))
(( segid " " and resid 13 and name HB ))
4.600 2.600 1.400 peak 320 weight 0.11000E+01 volume 0.68328E-03 ppm1 1.374 ppm2 3.906 CV 1
ASSI { 377}
(( segid " " and resid 12 and name HB2 ))
(( segid " " and resid 11 and name HA ))
3.300 1.300 1.300 peak 377 weight 0.11000E+01 volume 0.44752E-03 ppm1 2.773 ppm2 4.233 CV 1
ASSI { 378}
(( segid " " and resid 12 and name HB1 ))
(( segid " " and resid 11 and name HA ))
3.200 1.300 1.300 peak 378 weight 0.11000E+01 volume 0.51200E-03 ppm1 2.879 ppm2 4.234 CV 1
ASSI { 411}
( segid " " and resid 4 and name HG2%)
(( segid " " and resid 3 and name HB2 ))
3.300 1.300 1.300 peak 411 weight 0.11000E+01 volume 0.45789E-03 ppm1 0.589 ppm2 3.143 CV 1
ASSI { 418}
( segid " " and resid 14 and name HD2%)
(( segid " " and resid 14 and name HG ))
2.900 1.100 1.100 peak 418 weight 0.11000E+01 volume 0.22807E-02 ppm1 0.950 ppm2 1.380 CV 1
ASSI { 423}
(( segid " " and resid 20 and name HA ))
(( segid " " and resid 19 and name HA ))
4.400 2.400 1.600 peak 423 weight 0.11000E+01 volume 0.41761E-03 ppm1 6.804 ppm2 3.897 CV 1
ASSI { 425}
(( segid " " and resid 20 and name HA ))
( segid " " and resid 15 and name HG2%)
3.100 1.200 1.200 peak 425 weight 0.11000E+01 volume 0.58565E-03 ppm1 6.799 ppm2 1.381 CV 1
ASSI { 463}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HN ))
4.800 2.900 1.200 peak 463 weight 0.11000E+01 volume 0.31651E-03 ppm1 8.166 ppm2 8.659 CV 1
ASSI { 499}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 11 and name HB ))
3.900 1.900 1.900 peak 499 weight 0.11000E+01 volume 0.16761E-03 ppm1 8.108 ppm2 2.082 CV 1
ASSI { 501}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 2 and name HA ))
3.700 1.700 1.700 peak 501 weight 0.11000E+01 volume 0.20810E-03 ppm1 8.163 ppm2 4.356 CV 1
ASSI { 508}
(( segid " " and resid 5 and name HN ))
(( segid " " and resid 6 and name HD2 ))
3.700 1.700 1.700 peak 508 weight 0.11000E+01 volume 0.36880E-03 ppm1 8.200 ppm2 3.689 CV 1
ASSI { 514}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 9 and name HA1 ))
3.700 1.700 1.700 peak 514 weight 0.11000E+01 volume 0.21278E-03 ppm1 8.403 ppm2 4.138 CV 1
ASSI { 525}
(( segid " " and resid 6 and name HD1 ))
(( segid " " and resid 6 and name HD2 ))
1.600 0.300 0.600 peak 525 weight 0.11000E+01 volume 0.15875E-01 ppm1 3.639 ppm2 3.685 CV 1
ASSI { 526}
(( segid " " and resid 14 and name HN ))
(( segid " " and resid 13 and name HN ))
2.600 0.800 0.800 peak 526 weight 0.11000E+01 volume 0.33222E-02 ppm1 8.106 ppm2 8.176 CV 1
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