NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
23876 |
2jyv   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 7}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 27 and name HA ))
3.200 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.96445E-03 ppm1 9.225 ppm2 5.483 CV 1
ASSI { 10}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 19 and name HA ))
4.000 2.000 2.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.45663E-03 ppm1 7.343 ppm2 3.621 CV 1
ASSI { 24}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 18 and name HB1 ))
3.100 1.200 1.200 peak 24 spectrum 1 weight 0.92308E+00 volume 0.20233E-02 ppm1 2.778 ppm2 3.250 CV 1
ASSI { 25}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 26 and name HN ))
3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13708E-02 ppm1 9.225 ppm2 9.059 CV 1
ASSI { 26}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 16 and name HN ))
2.800 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.17697E-02 ppm1 9.541 ppm2 8.881 CV 1
ASSI { 32}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HA ))
2.200 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.58800E-02 ppm1 9.225 ppm2 5.225 CV 1
ASSI { 33}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 17 and name HA ))
4.500 2.600 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.40201E-03 ppm1 9.541 ppm2 5.223 CV 1
ASSI { 53}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG2%)
3.600 1.600 1.600 peak 53 spectrum 1 weight 0.92308E+00 volume 0.15607E-02 ppm1 7.444 ppm2 0.880 CV 1
ASSI { 54}
(( segid " " and resid 22 and name HN ))
( segid " " and resid 21 and name HG1%)
3.800 1.800 1.800 peak 54 spectrum 1 weight 0.92308E+00 volume 0.14622E-02 ppm1 7.443 ppm2 0.831 CV 1
ASSI { 56}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HA ))
3.400 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 7.443 ppm2 3.673 CV 1
ASSI { 57}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HG2 ))
4.900 2.900 1.100 peak 57 spectrum 1 weight 0.10000E+01 volume 0.56519E-03 ppm1 8.373 ppm2 2.464 CV 1
ASSI { 58}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HA ))
2.200 0.600 0.600 peak 58 spectrum 1 weight 0.92308E+00 volume 0.59307E-02 ppm1 9.541 ppm2 5.485 CV 1
ASSI { 59}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA2 ))
2.100 0.600 0.600 peak 59 spectrum 1 weight 0.86391E+00 volume 0.12139E-01 ppm1 8.398 ppm2 4.271 CV 1
ASSI { 60}
(( segid " " and resid 27 and name HN ))
(( segid " " and resid 26 and name HA1 ))
2.700 0.900 0.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.47730E-02 ppm1 8.398 ppm2 3.811 CV 1
ASSI { 61}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 27 and name HB1 ))
4.200 2.200 1.800 peak 61 spectrum 1 weight 0.10000E+01 volume 0.46121E-03 ppm1 9.538 ppm2 2.665 CV 1
ASSI { 62}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB2 ))
4.400 2.400 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10171E-02 ppm1 9.053 ppm2 2.992 CV 1
ASSI { 63}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HB1 ))
3.400 1.500 1.500 peak 63 spectrum 1 weight 0.10000E+01 volume 0.81003E-03 ppm1 9.053 ppm2 2.682 CV 1
ASSI { 64}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB2 ))
3.100 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.18377E-02 ppm1 8.192 ppm2 3.677 CV 1
ASSI { 65}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HB1 ))
3.000 1.100 1.100 peak 65 spectrum 1 weight 0.10000E+01 volume 0.27045E-02 ppm1 8.190 ppm2 3.815 CV 1
ASSI { 66}
(( segid " " and resid 25 and name HN ))
(( segid " " and resid 24 and name HA ))
2.200 0.600 0.600 peak 66 spectrum 1 weight 0.86391E+00 volume 0.89672E-02 ppm1 8.191 ppm2 4.169 CV 1
ASSI { 67}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG1%)
4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 8.815 ppm2 0.462 CV 1
ASSI { 68}
(( segid " " and resid 20 and name HN ))
( segid " " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.59769E-03 ppm1 8.817 ppm2 -0.017 CV 1
ASSI { 69}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HB ))
4.500 2.600 1.500 peak 69 spectrum 1 weight 0.10000E+01 volume 0.31942E-03 ppm1 8.817 ppm2 1.316 CV 1
ASSI { 70}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 19 and name HA ))
2.100 0.600 0.600 peak 70 spectrum 1 weight 0.92308E+00 volume 0.65692E-02 ppm1 8.814 ppm2 3.622 CV 1
ASSI { 71}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HB ))
2.800 1.000 1.000 peak 71 spectrum 1 weight 0.10000E+01 volume 0.28747E-02 ppm1 7.443 ppm2 1.978 CV 1
ASSI { 72}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HG1 ))
4.900 3.000 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.79980E-03 ppm1 7.446 ppm2 2.199 CV 1
ASSI { 73}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HG2 ))
4.900 3.000 1.100 peak 73 spectrum 1 weight 0.10000E+01 volume 0.90625E-03 ppm1 7.441 ppm2 2.457 CV 1
ASSI { 77}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 25 and name HA ))
2.300 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.53488E-02 ppm1 9.053 ppm2 4.812 CV 1
ASSI { 78}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.900 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.28653E-02 ppm1 7.442 ppm2 2.032 CV 1
ASSI { 79}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB2 ))
3.200 1.300 1.300 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21907E-02 ppm1 8.297 ppm2 3.016 CV 1
ASSI { 80}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HB1 ))
3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.12613E-02 ppm1 8.297 ppm2 3.252 CV 1
ASSI { 81}
(( segid " " and resid 19 and name HN ))
(( segid " " and resid 18 and name HA ))
2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.50835E-02 ppm1 8.297 ppm2 5.050 CV 1
ASSI { 82}
(( segid " " and resid 18 and name HN ))
(( segid " " and resid 17 and name HB1 ))
5.700 4.100 0.300 peak 82 spectrum 1 weight 0.92308E+00 volume 0.17768E-03 ppm1 9.225 ppm2 2.915 CV 1
ASSI { 83}
(( segid " " and resid 17 and name HN ))
( segid " " and resid 16 and name HG2%)
4.000 2.000 2.000 peak 83 spectrum 1 weight 0.10000E+01 volume 0.66018E-03 ppm1 8.433 ppm2 1.058 CV 1
ASSI { 84}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HB ))
4.100 2.100 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14069E-02 ppm1 8.435 ppm2 3.952 CV 1
ASSI { 85}
(( segid " " and resid 17 and name HN ))
(( segid " " and resid 16 and name HA ))
2.500 0.800 0.800 peak 85 spectrum 1 weight 0.10000E+01 volume 0.56692E-02 ppm1 8.434 ppm2 4.619 CV 1
ASSI { 89}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HA ))
2.300 0.600 0.600 peak 89 spectrum 1 weight 0.92308E+00 volume 0.41893E-02 ppm1 8.878 ppm2 5.022 CV 1
ASSI { 90}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 19 and name HA ))
3.500 1.500 1.500 peak 90 spectrum 1 weight 0.10000E+01 volume 0.74919E-03 ppm1 9.053 ppm2 3.617 CV 1
ASSI { 91}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 25 and name HA ))
3.900 1.900 1.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.52716E-03 ppm1 8.816 ppm2 4.815 CV 1
ASSI { 96}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 11 and name HA ))
2.200 0.600 0.600 peak 96 spectrum 1 weight 0.92308E+00 volume 0.40572E-02 ppm1 3.460 ppm2 5.071 CV 1
ASSI { 110}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB1 ))
4.000 2.000 2.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 8.589 ppm2 1.549 CV 1
ASSI { 111}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HB2 ))
2.900 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.17001E-02 ppm1 8.590 ppm2 1.650 CV 1
ASSI { 112}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG1 ))
4.600 2.700 1.400 peak 112 spectrum 1 weight 0.92308E+00 volume 0.63015E-03 ppm1 8.591 ppm2 1.864 CV 1
ASSI { 113}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HG2 ))
5.400 3.600 0.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.38180E-03 ppm1 8.601 ppm2 1.895 CV 1
ASSI { 114}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 10 and name HA ))
2.200 0.600 0.600 peak 114 spectrum 1 weight 0.86391E+00 volume 0.78515E-02 ppm1 8.590 ppm2 4.555 CV 1
ASSI { 116}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HB2 ))
2.900 1.100 1.100 peak 116 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 7.876 ppm2 2.797 CV 1
ASSI { 117}
(( segid " " and resid 10 and name HN ))
(( segid " " and resid 9 and name HA ))
2.400 0.700 0.700 peak 117 spectrum 1 weight 0.92308E+00 volume 0.50724E-02 ppm1 7.872 ppm2 4.402 CV 1
ASSI { 123}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB1 ))
4.600 2.600 1.400 peak 123 spectrum 1 weight 0.10000E+01 volume 0.30489E-03 ppm1 7.774 ppm2 1.701 CV 1
ASSI { 124}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HB2 ))
4.800 2.900 1.200 peak 124 spectrum 1 weight 0.10000E+01 volume 0.22613E-03 ppm1 7.772 ppm2 1.969 CV 1
ASSI { 125}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HG2 ))
5.900 4.300 0.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.18690E-03 ppm1 7.766 ppm2 2.095 CV 1
ASSI { 126}
(( segid " " and resid 9 and name HN ))
(( segid " " and resid 8 and name HA ))
3.200 1.300 1.300 peak 126 spectrum 1 weight 0.92308E+00 volume 0.18710E-02 ppm1 7.769 ppm2 4.204 CV 1
ASSI { 127}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB2 ))
3.900 1.900 1.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.92061E-03 ppm1 8.270 ppm2 3.439 CV 1
ASSI { 128}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HB1 ))
3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.16699E-02 ppm1 8.273 ppm2 3.562 CV 1
ASSI { 132}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HA ))
3.000 1.100 1.100 peak 132 spectrum 1 weight 0.10000E+01 volume 0.29179E-02 ppm1 7.689 ppm2 4.243 CV 1
ASSI { 135}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB2 ))
4.300 2.300 1.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.33217E-03 ppm1 7.691 ppm2 2.534 CV 1
ASSI { 136}
(( segid " " and resid 7 and name HN ))
(( segid " " and resid 6 and name HB1 ))
5.800 4.300 0.200 peak 136 spectrum 1 weight 0.67545E+00 volume 0.71520E-04 ppm1 7.689 ppm2 2.664 CV 1
ASSI { 141}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA1 ))
4.100 2.100 1.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.75212E-03 ppm1 7.818 ppm2 3.195 CV 1
ASSI { 142}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 23 and name HA2 ))
3.600 1.600 1.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.10260E-02 ppm1 7.816 ppm2 4.050 CV 1
ASSI { 145}
( segid " " and resid 1 and name HT% )
(( segid " " and resid 2 and name HG12))
3.000 1.100 1.100 peak 145 spectrum 1 weight 0.78200E+00 volume 0.40097E-02 ppm1 8.302 ppm2 1.260 CV 1
ASSI { 148}
(( segid " " and resid 2 and name HN ))
( segid " " and resid 1 and name HB% )
4.100 2.100 1.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.19525E-02 ppm1 8.239 ppm2 1.125 CV 1
ASSI { 159}
(( segid " " and resid 2 and name HN ))
(( segid " " and resid 1 and name HA ))
2.200 0.600 0.600 peak 159 spectrum 1 weight 0.86391E+00 volume 0.59848E-02 ppm1 8.240 ppm2 4.247 CV 1
ASSI { 160}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HA ))
2.000 0.500 0.500 peak 160 spectrum 1 weight 0.92308E+00 volume 0.10911E-01 ppm1 8.201 ppm2 4.048 CV 1
ASSI { 161}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HB ))
3.200 1.300 1.300 peak 161 spectrum 1 weight 0.86391E+00 volume 0.16406E-02 ppm1 8.201 ppm2 1.661 CV 1
ASSI { 162}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG12))
5.900 4.400 0.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.21338E-03 ppm1 8.201 ppm2 1.263 CV 1
ASSI { 164}
(( segid " " and resid 3 and name HN ))
( segid " " and resid 2 and name HG2%)
3.500 1.500 1.500 peak 164 spectrum 1 weight 0.10000E+01 volume 0.18901E-02 ppm1 8.201 ppm2 0.715 CV 1
ASSI { 179}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HA ))
2.100 0.600 0.600 peak 179 spectrum 1 weight 0.86391E+00 volume 0.10077E-01 ppm1 8.359 ppm2 4.247 CV 1
ASSI { 204}
(( segid " " and resid 30 and name HG1 ))
(( segid " " and resid 16 and name HB ))
2.300 0.700 0.700 peak 204 spectrum 1 weight 0.88658E+00 volume 0.43015E-02 ppm1 1.929 ppm2 3.935 CV 1
ASSI { 248}
(( segid " " and resid 27 and name HB1 ))
(( segid " " and resid 11 and name HB2 ))
3.100 1.200 1.200 peak 248 spectrum 1 weight 0.86391E+00 volume 0.26115E-02 ppm1 2.660 ppm2 3.104 CV 1
ASSI { 260}
(( segid " " and resid 15 and name HB1 ))
(( segid " " and resid 18 and name HB2 ))
4.300 2.300 1.700 peak 260 spectrum 1 weight 0.88658E+00 volume 0.11317E-02 ppm1 3.472 ppm2 3.020 CV 1
ASSI { 264}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 27 and name HB1 ))
4.100 2.100 1.900 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10208E-02 ppm1 3.458 ppm2 2.658 CV 1
ASSI { 265}
(( segid " " and resid 12 and name HD2 ))
(( segid " " and resid 27 and name HB2 ))
3.800 1.800 1.800 peak 265 spectrum 1 weight 0.95411E+00 volume 0.10425E-02 ppm1 3.460 ppm2 2.808 CV 1
ASSI { 268}
(( segid " " and resid 22 and name HB2 ))
(( segid " " and resid 20 and name HB1 ))
2.600 0.900 0.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.73203E-02 ppm1 2.914 ppm2 2.086 CV 1
ASSI { 290}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 20 and name HA ))
4.800 2.900 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.42545E-03 ppm1 7.443 ppm2 4.411 CV 1
ASSI { 310}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 17 and name HB1 ))
3.500 1.600 1.600 peak 310 spectrum 1 weight 0.72651E+00 volume 0.10641E-02 ppm1 7.340 ppm2 2.927 CV 1
ASSI { 312}
(( segid " " and resid 25 and name HZ3 ))
(( segid " " and resid 17 and name HB1 ))
3.400 1.500 1.500 peak 312 spectrum 1 weight 0.92308E+00 volume 0.10845E-02 ppm1 6.631 ppm2 2.927 CV 1
ASSI { 313}
(( segid " " and resid 25 and name HZ3 ))
(( segid " " and resid 17 and name HB2 ))
3.100 1.200 1.200 peak 313 spectrum 1 weight 0.92308E+00 volume 0.97377E-03 ppm1 6.631 ppm2 2.987 CV 1
ASSI { 358}
(( segid " " and resid 31 and name HG2 ))
(( segid " " and resid 30 and name HB1 ))
4.100 2.100 1.900 peak 358 spectrum 1 weight 0.92308E+00 volume 0.48253E-02 ppm1 1.880 ppm2 2.414 CV 1
ASSI { 367}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB1 ))
4.000 2.000 2.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.74407E-03 ppm1 8.286 ppm2 2.241 CV 1
ASSI { 368}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HB2 ))
3.200 1.300 1.300 peak 368 spectrum 1 weight 0.92308E+00 volume 0.26849E-02 ppm1 8.288 ppm2 1.753 CV 1
ASSI { 392}
(( segid " " and resid 25 and name HH2 ))
(( segid " " and resid 6 and name HB1 ))
4.200 2.200 1.800 peak 392 spectrum 1 weight 0.10000E+01 volume 0.77777E-03 ppm1 7.010 ppm2 2.671 CV 1
ASSI { 396}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 25 and name HB2 ))
3.900 1.900 1.900 peak 396 spectrum 1 weight 0.10000E+01 volume 0.39603E-03 ppm1 7.243 ppm2 2.984 CV 1
ASSI { 416}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HA ))
2.200 0.600 0.600 peak 416 spectrum 1 weight 0.10000E+01 volume 0.62046E-02 ppm1 8.370 ppm2 4.418 CV 1
ASSI { 417}
(( segid " " and resid 21 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.500 1.500 1.500 peak 417 spectrum 1 weight 0.10000E+01 volume 0.24255E-02 ppm1 8.369 ppm2 2.041 CV 1
ASSI { 418}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.200 1.200 1.200 peak 418 spectrum 1 weight 0.10000E+01 volume 0.12288E-02 ppm1 8.881 ppm2 3.550 CV 1
ASSI { 419}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 15 and name HB1 ))
3.300 1.400 1.400 peak 419 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 8.879 ppm2 3.468 CV 1
ASSI { 420}
(( segid " " and resid 11 and name HN ))
(( segid " " and resid 3 and name HA ))
3.900 1.900 1.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.64162E-03 ppm1 8.591 ppm2 4.247 CV 1
ASSI { 421}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 15 and name HB1 ))
4.000 2.000 2.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.46278E-03 ppm1 9.540 ppm2 3.458 CV 1
ASSI { 422}
(( segid " " and resid 28 and name HN ))
(( segid " " and resid 15 and name HB2 ))
3.700 1.700 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.54519E-03 ppm1 9.541 ppm2 3.551 CV 1
ASSI { 423}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 20 and name HG2 ))
4.000 2.000 2.000 peak 423 spectrum 1 weight 0.10000E+01 volume 0.42120E-03 ppm1 9.055 ppm2 2.462 CV 1
ASSI { 424}
(( segid " " and resid 26 and name HN ))
(( segid " " and resid 20 and name HG1 ))
3.800 1.800 1.800 peak 424 spectrum 1 weight 0.10000E+01 volume 0.70171E-03 ppm1 9.054 ppm2 2.203 CV 1
ASSI { 426}
(( segid " " and resid 23 and name HN ))
( segid " " and resid 19 and name HG1%)
4.400 2.400 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.77559E-03 ppm1 7.972 ppm2 0.461 CV 1
ASSI { 427}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB2 ))
4.400 2.400 1.600 peak 427 spectrum 1 weight 0.10000E+01 volume 0.47334E-03 ppm1 7.971 ppm2 1.979 CV 1
ASSI { 428}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 20 and name HB1 ))
3.900 1.900 1.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.38041E-03 ppm1 7.972 ppm2 2.041 CV 1
ASSI { 429}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HB2 ))
4.600 2.600 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.58585E-03 ppm1 7.820 ppm2 1.971 CV 1
ASSI { 430}
(( segid " " and resid 24 and name HN ))
(( segid " " and resid 20 and name HB1 ))
2.900 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.12341E-02 ppm1 7.820 ppm2 2.048 CV 1
ASSI { 435}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HA ))
2.300 0.700 0.700 peak 435 spectrum 1 weight 0.86391E+00 volume 0.71446E-02 ppm1 8.212 ppm2 4.368 CV 1
ASSI { 436}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 29 and name HA ))
2.000 0.500 0.500 peak 436 spectrum 1 weight 0.92308E+00 volume 0.61324E-02 ppm1 8.286 ppm2 4.443 CV 1
ASSI { 437}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HA ))
3.400 1.500 1.500 peak 437 spectrum 1 weight 0.92308E+00 volume 0.11969E-02 ppm1 7.973 ppm2 4.352 CV 1
ASSI { 439}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 21 and name HA ))
3.600 1.600 1.600 peak 439 spectrum 1 weight 0.10000E+01 volume 0.65296E-03 ppm1 7.973 ppm2 3.673 CV 1
ASSI { 440}
(( segid " " and resid 15 and name HN ))
(( segid " " and resid 14 and name HA ))
3.000 1.100 1.100 peak 440 spectrum 1 weight 0.10000E+01 volume 0.22524E-02 ppm1 8.031 ppm2 4.289 CV 1
ASSI { 441}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 26 and name HA2 ))
3.300 1.400 1.400 peak 441 spectrum 1 weight 0.10000E+01 volume 0.88790E-03 ppm1 7.241 ppm2 4.290 CV 1
ASSI { 442}
(( segid " " and resid 9 and name HZ ))
(( segid " " and resid 26 and name HA2 ))
3.700 1.700 1.700 peak 442 spectrum 1 weight 0.10000E+01 volume 0.58569E-03 ppm1 7.167 ppm2 4.287 CV 1
ASSI { 446}
(( segid " " and resid 13 and name HN ))
(( segid " " and resid 12 and name HB2 ))
4.000 2.000 2.000 peak 446 spectrum 1 weight 0.92308E+00 volume 0.11955E-02 ppm1 8.212 ppm2 1.590 CV 1
ASSI { 447}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 21 and name HA ))
3.900 1.900 1.900 peak 447 spectrum 1 weight 0.92308E+00 volume 0.11169E-02 ppm1 8.813 ppm2 3.670 CV 1
ASSI { 448}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 22 and name HB1 ))
5.100 3.300 0.900 peak 448 spectrum 1 weight 0.83523E+00 volume 0.11227E-03 ppm1 7.971 ppm2 2.403 CV 1
ASSI { 449}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HA1 ))
5.900 4.400 0.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.27745E-03 ppm1 7.445 ppm2 3.200 CV 1
ASSI { 451}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 23 and name HN ))
2.500 0.800 0.800 peak 451 spectrum 1 weight 0.10000E+01 volume 0.29139E-02 ppm1 7.444 ppm2 7.979 CV 1
ASSI { 452}
(( segid " " and resid 22 and name HN ))
(( segid " " and resid 21 and name HN ))
2.600 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.19668E-02 ppm1 7.444 ppm2 8.371 CV 1
ASSI { 456}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HN ))
3.700 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.23264E-02 ppm1 8.270 ppm2 7.687 CV 1
ASSI { 457}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 9 and name HN ))
2.700 0.900 0.900 peak 457 spectrum 1 weight 0.10000E+01 volume 0.17208E-02 ppm1 8.270 ppm2 7.769 CV 1
ASSI { 459}
(( segid " " and resid 23 and name HN ))
(( segid " " and resid 24 and name HN ))
2.400 0.700 0.700 peak 459 spectrum 1 weight 0.92308E+00 volume 0.48810E-02 ppm1 7.973 ppm2 7.819 CV 1
ASSI { 460}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 18 and name HN ))
3.500 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.99811E-03 ppm1 7.341 ppm2 9.228 CV 1
ASSI { 461}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 26 and name HN ))
3.400 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.84244E-03 ppm1 7.342 ppm2 9.054 CV 1
ASSI { 467}
(( segid " " and resid 20 and name HN ))
(( segid " " and resid 26 and name HN ))
4.200 2.200 1.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.63452E-03 ppm1 8.814 ppm2 9.054 CV 1
ASSI { 468}
(( segid " " and resid 8 and name HN ))
(( segid " " and resid 7 and name HA ))
2.400 0.700 0.700 peak 468 spectrum 1 weight 0.92308E+00 volume 0.48876E-02 ppm1 8.275 ppm2 4.344 CV 1
ASSI { 469}
(( segid " " and resid 3 and name HN ))
(( segid " " and resid 2 and name HG11))
6.000 4.900 0.000 peak 469 spectrum 1 weight 0.84095E+00 volume 0.11479E-03 ppm1 8.201 ppm2 0.995 CV 1
ASSI { 474}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB2 ))
4.400 2.400 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.44298E-03 ppm1 8.359 ppm2 1.740 CV 1
ASSI { 475}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 3 and name HB1 ))
3.900 1.900 1.900 peak 475 spectrum 1 weight 0.10000E+01 volume 0.11913E-02 ppm1 8.360 ppm2 1.828 CV 1
ASSI { 476}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 29 and name HA ))
5.000 3.100 1.000 peak 476 spectrum 1 weight 0.10000E+01 volume 0.19082E-03 ppm1 8.888 ppm2 4.434 CV 1
ASSI { 477}
(( segid " " and resid 16 and name HN ))
(( segid " " and resid 28 and name HB1 ))
5.200 3.400 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.20707E-03 ppm1 8.881 ppm2 2.847 CV 1
ASSI { 478}
(( segid " " and resid 28 and name HN ))
( segid " " and resid 16 and name HG2%)
3.800 1.800 1.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.51355E-03 ppm1 9.541 ppm2 1.057 CV 1
ASSI { 479}
(( segid " " and resid 30 and name HN ))
(( segid " " and resid 15 and name HA ))
2.400 0.700 0.700 peak 479 spectrum 1 weight 0.10000E+01 volume 0.52807E-02 ppm1 8.287 ppm2 5.023 CV 1
ASSI { 481}
(( segid " " and resid 4 and name HN ))
(( segid " " and resid 10 and name HA ))
4.100 2.100 1.900 peak 481 spectrum 1 weight 0.92308E+00 volume 0.46542E-03 ppm1 8.360 ppm2 4.559 CV 1
ASSI { 482}
(( segid " " and resid 25 and name HE1 ))
(( segid " " and resid 6 and name HB2 ))
4.600 2.600 1.400 peak 482 spectrum 1 weight 0.10000E+01 volume 0.23741E-03 ppm1 10.029 ppm2 2.527 CV 1
ASSI { 483}
(( segid " " and resid 25 and name HE1 ))
(( segid " " and resid 6 and name HB1 ))
5.800 4.200 0.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.30312E-03 ppm1 10.030 ppm2 2.683 CV 1
ASSI { 484}
(( segid " " and resid 25 and name HE1 ))
(( segid " " and resid 7 and name HB2 ))
5.000 3.100 1.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.23838E-03 ppm1 10.031 ppm2 3.433 CV 1
ASSI { 485}
(( segid " " and resid 25 and name HE1 ))
(( segid " " and resid 7 and name HB1 ))
5.600 3.900 0.400 peak 485 spectrum 1 weight 0.78978E+00 volume 0.91050E-04 ppm1 10.030 ppm2 3.560 CV 1
ASSI { 487}
(( segid " " and resid 25 and name HH2 ))
(( segid " " and resid 7 and name HB2 ))
4.200 2.200 1.800 peak 487 spectrum 1 weight 0.10000E+01 volume 0.27176E-03 ppm1 7.009 ppm2 3.438 CV 1
ASSI { 488}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 7 and name HB1 ))
4.800 2.900 1.200 peak 488 spectrum 1 weight 0.10000E+01 volume 0.19738E-03 ppm1 7.084 ppm2 3.551 CV 1
ASSI { 489}
(( segid " " and resid 25 and name HH2 ))
(( segid " " and resid 7 and name HB1 ))
4.200 2.200 1.800 peak 489 spectrum 1 weight 0.68282E+00 volume 0.75562E-04 ppm1 7.010 ppm2 3.555 CV 1
ASSI { 491}
(( segid " " and resid 25 and name HZ3 ))
(( segid " " and resid 18 and name HA ))
3.400 1.400 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.90452E-03 ppm1 6.632 ppm2 5.049 CV 1
ASSI { 494}
(( segid " " and resid 24 and name HN ))
( segid " " and resid 19 and name HG1%)
5.100 3.200 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.36151E-03 ppm1 7.815 ppm2 0.464 CV 1
ASSI { 1}
(( segid " " and resid 27 and name HA ))
(( segid " " and resid 17 and name HA ))
3.000 1.100 1.100 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14233E-02 ppm1 5.512 ppm2 5.247 CV 1
ASSI { 13}
(( segid " " and resid 29 and name HD2 ))
(( segid " " and resid 28 and name HA ))
2.300 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.63518E-02 ppm1 3.749 ppm2 5.127 CV 1
ASSI { 15}
(( segid " " and resid 29 and name HD1 ))
(( segid " " and resid 28 and name HA ))
2.100 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.56094E-02 ppm1 3.570 ppm2 5.124 CV 1
ASSI { 16}
(( segid " " and resid 12 and name HD1 ))
(( segid " " and resid 11 and name HA ))
2.000 0.500 0.500 peak 16 spectrum 1 weight 0.92308E+00 volume 0.56816E-02 ppm1 3.480 ppm2 5.093 CV 1
ASSI { 33}
(( segid " " and resid 31 and name HD2 ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.59146E-02 ppm1 3.717 ppm2 4.514 CV 1
ASSI { 34}
(( segid " " and resid 31 and name HD1 ))
(( segid " " and resid 30 and name HA ))
2.200 0.600 0.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.51697E-02 ppm1 3.565 ppm2 4.517 CV 1
ASSI { 102}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
3.600 1.600 1.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.94527E-03 ppm1 2.240 ppm2 3.670 CV 1
ASSI { 105}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HD1 ))
3.800 1.800 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.22916E-02 ppm1 2.241 ppm2 3.474 CV 1
ASSI { 130}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HD2 ))
4.600 2.600 1.400 peak 130 spectrum 1 weight 0.92308E+00 volume 0.10119E-02 ppm1 3.119 ppm2 3.667 CV 1
ASSI { 133}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 12 and name HD1 ))
4.000 2.000 2.000 peak 133 spectrum 1 weight 0.92308E+00 volume 0.30458E-02 ppm1 3.120 ppm2 3.474 CV 1
ASSI { 184}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 29 and name HA ))
2.200 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.33797E-02 ppm1 5.038 ppm2 4.457 CV 1
ASSI { 191}
(( segid " " and resid 25 and name HA ))
(( segid " " and resid 19 and name HA ))
2.500 0.800 0.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.31528E-02 ppm1 4.821 ppm2 3.617 CV 1
ASSI { 200}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HG1 ))
5.200 3.400 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.10138E-02 ppm1 5.101 ppm2 1.843 CV 1
ASSI { 201}
(( segid " " and resid 10 and name HA ))
(( segid " " and resid 3 and name HA ))
2.700 0.900 0.900 peak 201 spectrum 1 weight 0.10000E+01 volume 0.31021E-02 ppm1 4.600 ppm2 4.254 CV 1
ASSI { 202}
(( segid " " and resid 12 and name HA ))
(( segid " " and resid 1 and name HA ))
3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 4.383 ppm2 4.253 CV 1
ASSI { 227}
(( segid " " and resid 30 and name HA ))
( segid " " and resid 16 and name HG2%)
3.300 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.13726E-02 ppm1 4.523 ppm2 1.064 CV 1
ASSI { 228}
(( segid " " and resid 12 and name HA ))
( segid " " and resid 1 and name HB% )
3.600 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.10134E-02 ppm1 4.384 ppm2 1.120 CV 1
ASSI { 248}
(( segid " " and resid 3 and name HA ))
(( segid " " and resid 10 and name HB2 ))
3.600 1.600 1.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.50769E-03 ppm1 4.260 ppm2 1.545 CV 1
ASSI { 333}
(( segid " " and resid 10 and name HB1 ))
( segid " " and resid 1 and name HB% )
3.900 1.900 1.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.55150E-03 ppm1 1.659 ppm2 1.124 CV 1
ASSI { 334}
(( segid " " and resid 10 and name HB2 ))
( segid " " and resid 1 and name HB% )
4.700 2.700 1.300 peak 334 spectrum 1 weight 0.10000E+01 volume 0.33699E-03 ppm1 1.549 ppm2 1.118 CV 1
ASSI { 338}
(( segid " " and resid 30 and name HG2 ))
( segid " " and resid 16 and name HG2%)
3.200 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 1.949 ppm2 1.064 CV 1
ASSI { 380}
(( segid " " and resid 18 and name HB2 ))
( segid " " and resid 16 and name HG2%)
3.700 1.700 1.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.58169E-03 ppm1 3.256 ppm2 1.064 CV 1
ASSI { 382}
(( segid " " and resid 31 and name HD2 ))
( segid " " and resid 16 and name HG2%)
4.500 2.600 1.500 peak 382 spectrum 1 weight 0.70170E+00 volume 0.47804E-04 ppm1 3.715 ppm2 1.065 CV 1
ASSI { 383}
(( segid " " and resid 18 and name HB1 ))
( segid " " and resid 16 and name HG2%)
4.600 2.600 1.400 peak 383 spectrum 1 weight 0.10000E+01 volume 0.46608E-03 ppm1 3.035 ppm2 1.063 CV 1
ASSI { 384}
(( segid " " and resid 28 and name HB2 ))
( segid " " and resid 16 and name HG2%)
4.200 2.200 1.800 peak 384 spectrum 1 weight 0.10000E+01 volume 0.66080E-03 ppm1 2.854 ppm2 1.063 CV 1
ASSI { 385}
(( segid " " and resid 28 and name HB1 ))
( segid " " and resid 16 and name HG2%)
4.100 2.100 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.33980E-03 ppm1 2.793 ppm2 1.061 CV 1
ASSI { 386}
(( segid " " and resid 30 and name HB2 ))
( segid " " and resid 16 and name HG2%)
4.900 3.000 1.100 peak 386 spectrum 1 weight 0.10000E+01 volume 0.70077E-03 ppm1 2.393 ppm2 1.064 CV 1
ASSI { 387}
(( segid " " and resid 30 and name HB1 ))
( segid " " and resid 16 and name HG2%)
4.800 2.800 1.200 peak 387 spectrum 1 weight 0.10000E+01 volume 0.62809E-03 ppm1 2.332 ppm2 1.066 CV 1
ASSI { 401}
(( segid " " and resid 26 and name HA1 ))
(( segid " " and resid 20 and name HG1 ))
3.100 1.200 1.200 peak 401 spectrum 1 weight 0.92308E+00 volume 0.74803E-03 ppm1 3.823 ppm2 2.211 CV 1
ASSI { 404}
(( segid " " and resid 26 and name HA1 ))
(( segid " " and resid 20 and name HG2 ))
3.300 1.400 1.400 peak 404 spectrum 1 weight 0.92308E+00 volume 0.58008E-03 ppm1 3.806 ppm2 2.459 CV 1
ASSI { 408}
(( segid " " and resid 15 and name HA ))
( segid " " and resid 16 and name HG2%)
5.600 3.900 0.400 peak 408 spectrum 1 weight 0.10000E+01 volume 0.23958E-03 ppm1 5.038 ppm2 1.056 CV 1
ASSI { 409}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 12 and name HG2 ))
6.000 4.700 0.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.26743E-03 ppm1 5.097 ppm2 1.654 CV 1
ASSI { 410}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 30 and name HG2 ))
5.200 3.400 0.800 peak 410 spectrum 1 weight 0.92308E+00 volume 0.15375E-03 ppm1 5.038 ppm2 1.936 CV 1
ASSI { 411}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 29 and name HB1 ))
6.000 4.800 0.000 peak 411 spectrum 1 weight 0.96095E+00 volume 0.18156E-03 ppm1 5.037 ppm2 2.240 CV 1
ASSI { 412}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 30 and name HB1 ))
5.000 3.100 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.79415E-03 ppm1 5.038 ppm2 2.318 CV 1
ASSI { 413}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 30 and name HB2 ))
5.200 3.400 0.800 peak 413 spectrum 1 weight 0.92308E+00 volume 0.22155E-03 ppm1 5.036 ppm2 2.388 CV 1
ASSI { 419}
(( segid " " and resid 25 and name HH2 ))
( segid " " and resid 19 and name HG2%)
2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10756E-02 ppm1 7.006 ppm2 -0.020 CV 1
ASSI { 420}
(( segid " " and resid 25 and name HZ3 ))
( segid " " and resid 19 and name HG2%)
2.600 0.900 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.12393E-02 ppm1 6.635 ppm2 -0.018 CV 1
ASSI { 421}
(( segid " " and resid 25 and name HZ2 ))
( segid " " and resid 19 and name HG2%)
4.000 2.000 2.000 peak 421 spectrum 1 weight 0.10000E+01 volume 0.46484E-03 ppm1 7.301 ppm2 -0.021 CV 1
ASSI { 422}
(( segid " " and resid 25 and name HE3 ))
( segid " " and resid 19 and name HG2%)
4.300 2.300 1.700 peak 422 spectrum 1 weight 0.10000E+01 volume 0.44013E-03 ppm1 7.364 ppm2 -0.021 CV 1
ASSI { 437}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 24 and name HA ))
4.900 3.000 1.100 peak 437 spectrum 1 weight 0.80966E+00 volume 0.15379E-03 ppm1 7.097 ppm2 4.164 CV 1
ASSI { 466}
(( segid " " and resid 9 and name HZ ))
(( segid " " and resid 25 and name HD1 ))
5.300 3.600 0.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.41415E-03 ppm1 7.172 ppm2 7.082 CV 1
ASSI { 468}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 27 and name HB2 ))
4.200 2.200 1.800 peak 468 spectrum 1 weight 0.10000E+01 volume 0.73314E-03 ppm1 2.238 ppm2 2.816 CV 1
ASSI { 469}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 27 and name HB1 ))
4.000 2.000 2.000 peak 469 spectrum 1 weight 0.92308E+00 volume 0.71038E-03 ppm1 3.125 ppm2 2.661 CV 1
ASSI { 470}
(( segid " " and resid 11 and name HB1 ))
(( segid " " and resid 27 and name HB2 ))
4.200 2.300 1.800 peak 470 spectrum 1 weight 0.92308E+00 volume 0.13056E-02 ppm1 3.106 ppm2 2.820 CV 1
ASSI { 513}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 18 and name HA ))
5.000 3.100 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.17468E-03 ppm1 7.361 ppm2 5.060 CV 1
ASSI { 514}
(( segid " " and resid 25 and name HE3 ))
(( segid " " and resid 17 and name HA ))
4.400 2.400 1.600 peak 514 spectrum 1 weight 0.10000E+01 volume 0.34297E-03 ppm1 7.362 ppm2 5.250 CV 1
ASSI { 515}
(( segid " " and resid 25 and name HD1 ))
( segid " " and resid 19 and name HG1%)
5.600 3.900 0.400 peak 515 spectrum 1 weight 0.92308E+00 volume 0.12899E-03 ppm1 7.098 ppm2 0.466 CV 1
ASSI { 520}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 26 and name HA1 ))
5.500 3.800 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.33585E-03 ppm1 7.261 ppm2 3.808 CV 1
ASSI { 521}
(( segid " " and resid 9 and name HZ ))
(( segid " " and resid 26 and name HA1 ))
5.100 3.200 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.43820E-03 ppm1 7.189 ppm2 3.804 CV 1
ASSI { 523}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 7 and name HB1 ))
5.600 4.000 0.400 peak 523 spectrum 1 weight 0.10000E+01 volume 0.17392E-03 ppm1 7.260 ppm2 3.426 CV 1
ASSI { 524}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 7 and name HB2 ))
4.800 2.800 1.200 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17280E-03 ppm1 7.256 ppm2 3.550 CV 1
ASSI { 526}
( segid " " and resid 9 and name HE% )
(( segid " " and resid 25 and name HB1 ))
3.800 1.800 1.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.46595E-03 ppm1 7.260 ppm2 2.987 CV 1
ASSI { 527}
(( segid " " and resid 9 and name HZ ))
(( segid " " and resid 25 and name HB1 ))
3.900 1.900 1.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.47734E-03 ppm1 7.185 ppm2 2.998 CV 1
ASSI { 529}
(( segid " " and resid 9 and name HZ ))
(( segid " " and resid 25 and name HB2 ))
4.400 2.400 1.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.21798E-03 ppm1 7.189 ppm2 2.664 CV 1
ASSI { 530}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 6 and name HB1 ))
5.500 3.800 0.500 peak 530 spectrum 1 weight 0.10000E+01 volume 0.24635E-03 ppm1 7.098 ppm2 2.541 CV 1
ASSI { 532}
(( segid " " and resid 25 and name HD1 ))
(( segid " " and resid 7 and name HB2 ))
4.300 2.400 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.36424E-03 ppm1 7.098 ppm2 3.561 CV 1
ASSI { 534}
( segid " " and resid 14 and name HE% )
(( segid " " and resid 13 and name HB1 ))
3.800 1.800 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14585E-03 ppm1 7.234 ppm2 2.274 CV 1
ASSI { 535}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 11 and name HB2 ))
3.400 1.400 1.400 peak 535 spectrum 1 weight 0.66667E+00 volume 0.00000E+00 ppm1 4.622 ppm2 2.235 CV 1
ASSI { 536}
(( segid " " and resid 16 and name HA ))
(( segid " " and resid 11 and name HB1 ))
3.400 1.400 1.400 peak 536 spectrum 1 weight 0.66667E+00 volume 0.00000E+00 ppm1 4.622 ppm2 3.105 CV 1
ASSI { 539}
(( segid " " and resid 15 and name HA ))
(( segid " " and resid 30 and name HG1 ))
3.400 1.400 1.400 peak 539 spectrum 1 weight 0.58974E+00 volume 0.00000E+00 ppm1 5.037 ppm2 1.677 CV 1
ASSI { 540}
(( segid " " and resid 11 and name HA ))
(( segid " " and resid 27 and name HB2 ))
3.400 1.400 1.400 peak 540 spectrum 1 weight 0.58974E+00 volume 0.00000E+00 ppm1 5.107 ppm2 2.816 CV 1
ASSI { 541}
(( segid " " and resid 25 and name HA ))
( segid " " and resid 19 and name HG1%)
3.400 1.400 1.400 peak 541 spectrum 1 weight 0.66667E+00 volume 0.00000E+00 ppm1 4.821 ppm2 0.461 CV 1
ASSI { 543}
(( segid " " and resid 18 and name HA ))
( segid " " and resid 19 and name HG2%)
6.000 6.000 0.000 peak 543 spectrum 1 weight 0.73998E+00 volume 0.32243E-04 ppm1 5.065 ppm2 -0.022 CV 1
ASSI { 547}
(( segid " " and resid 28 and name HB1 ))
(( segid " " and resid 29 and name HD2 ))
3.400 1.400 1.400 peak 547 spectrum 1 weight 0.66667E+00 volume 0.00000E+00 ppm1 2.792 ppm2 3.744 CV 1
ASSI { 548}
(( segid " " and resid 28 and name HB2 ))
(( segid " " and resid 29 and name HD2 ))
3.400 1.400 1.400 peak 548 spectrum 1 weight 0.58974E+00 volume 0.00000E+00 ppm1 2.860 ppm2 3.739 CV 1
ASSI { 234}
(( segid " " and resid 11 and name HB2 ))
(( segid " " and resid 12 and name HD2 ))
3.500 1.500 1.500 peak 234 spectrum 1 weight 0.86391E+00 volume 0.34875E-02 ppm1 3.106 ppm2 3.461 CV 1
OR { 234}
(( segid " " and resid 4 and name HB2 ))
(( segid " " and resid 7 and name HB2 ))
Contact the webmaster for help, if required. Thursday, May 23, 2024 5:33:56 AM GMT (wattos1)