NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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513519 |
2lda   |
17657 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! File: p145c_intraresidue.txt ! Description: intraresidue NOE restraints from NMRSwarm calculation in X-PLOR/CNS format. ! Note: the force value following each entry describes the individual weighting applied ! to that restraint. This value is a measure of the confidence of the NOE distance ! restraint assignment. Individual force constants are not available in X-PLOR/CNS. ! Disclaimer: these restraints have not been tested in either X-PLOR or CNS. assign (residue 1 and name HN) (residue 1 and name HA) 0.0 1.8 2.9718 ! force: 0.359895 assign (residue 1 and name HN) (residue 1 and name HB1) 0.0 1.8 3.73171 ! force: 0.126515 assign (residue 1 and name HA) (residue 1 and name HB1) 0.0 1.8 3.11628 ! force: 0.436414 assign (residue 1 and name HN) (residue 1 and name HB2) 0.0 1.8 2.73536 ! force: 0.256737 assign (residue 1 and name HA) (residue 1 and name HB2) 0.0 1.8 3.10728 ! force: 0.289599 assign (residue 1 and name HB1) (residue 1 and name HB2) 0.0 1.8 1.8558 ! force: 0.0928691 assign (residue 1 and name HA) (residue 1 and name HD2) 0.0 1.8 4.46033 ! force: 0.24323 assign (residue 1 and name HB1) (residue 1 and name HD2) 0.0 1.8 3.71303 ! force: 0.0775131 assign (residue 1 and name HB2) (residue 1 and name HD2) 0.0 1.8 3.79663 ! force: 0.133713 assign (residue 1 and name HD2) (residue 1 and name HE1) 0.0 1.8 4.34318 ! force: 0.123353 assign (residue 2 and name HN) (residue 2 and name HA) 0.0 1.8 2.95217 ! force: 0.156394 assign (residue 2 and name HN) (residue 2 and name HB1) 0.0 1.8 2.91468 ! force: 0.213807 assign (residue 2 and name HA) (residue 2 and name HB1) 0.0 1.8 2.80865 ! force: 0.0666185 assign (residue 2 and name HN) (residue 2 and name HB2) 0.0 1.8 3.74508 ! force: 0.409005 assign (residue 2 and name HA) (residue 2 and name HB2) 0.0 1.8 3.0571 ! force: 0.128017 assign (residue 2 and name HB1) (residue 2 and name HB2) 0.0 1.8 1.85 ! force: 0.0689932 assign (residue 2 and name HN) (residue 2 and name HG1) 0.0 1.8 4.08078 ! force: 0.287867 assign (residue 2 and name HA) (residue 2 and name HG1) 0.0 1.8 3.65734 ! force: 0.155914 assign (residue 2 and name HB1) (residue 2 and name HG1) 0.0 1.8 3.10403 ! force: 0.0584289 assign (residue 2 and name HB2) (residue 2 and name HG1) 0.0 1.8 2.70637 ! force: 0.117562 assign (residue 2 and name HN) (residue 2 and name HG2) 0.0 1.8 3.69964 ! force: 0.370271 assign (residue 2 and name HA) (residue 2 and name HG2) 0.0 1.8 3.91966 ! force: 0.118087 assign (residue 2 and name HB1) (residue 2 and name HG2) 0.0 1.8 2.5981 ! force: 0.0637188 assign (residue 2 and name HB2) (residue 2 and name HG2) 0.0 1.8 3.09803 ! force: 0.163765 assign (residue 2 and name HN) (residue 2 and name HD#) 0.0 1.8 4.33937 ! force: 0.303136 assign (residue 2 and name HA) (residue 2 and name HD#) 0.0 1.8 3.94478 ! force: 0.122779 assign (residue 2 and name HB2) (residue 2 and name HD#) 0.0 1.8 2.54589 ! force: 0.0672591 assign (residue 2 and name HG1) (residue 2 and name HD#) 0.0 1.8 2.4745 ! force: 0.110534 assign (residue 2 and name HG2) (residue 2 and name HD#) 0.0 1.8 2.43481 ! force: 0.0778372 assign (residue 2 and name HB2) (residue 2 and name HE1) 0.0 1.8 4.77966 ! force: 0.055283 assign (residue 2 and name HG1) (residue 2 and name HE1) 0.0 1.8 3.76553 ! force: 0.0937007 assign (residue 2 and name HG2) (residue 2 and name HE1) 0.0 1.8 4.35393 ! force: 0.183584 assign (residue 2 and name HD#) (residue 2 and name HE1) 0.0 1.8 2.44065 ! force: 0.0441526 assign (residue 2 and name HB1) (residue 2 and name HE2) 0.0 1.8 4.67831 ! force: 0.0242631 assign (residue 2 and name HB2) (residue 2 and name HE2) 0.0 1.8 4.87333 ! force: 0.053574 assign (residue 2 and name HG1) (residue 2 and name HE2) 0.0 1.8 3.72647 ! force: 0.095053 assign (residue 2 and name HG2) (residue 2 and name HE2) 0.0 1.8 3.87855 ! force: 0.184115 assign (residue 2 and name HD#) (residue 2 and name HE2) 0.0 1.8 2.46464 ! force: 0.0434514 assign (residue 2 and name HE1) (residue 2 and name HE2) 0.0 1.8 1.86412 ! force: 0.0796631 assign (residue 3 and name HN) (residue 3 and name HB11) 0.0 1.8 2.70712 ! force: 0.203696 assign (residue 3 and name HN) (residue 3 and name HB12) 0.0 1.8 2.72779 ! force: 0.262436 assign (residue 3 and name HB11) (residue 3 and name HB12) 0.0 1.8 1.84298 ! force: 0.035203 assign (residue 3 and name HN) (residue 3 and name HB2#) 0.0 1.8 2.9347 ! force: 0.31137 assign (residue 3 and name HB11) (residue 3 and name HB2#) 0.0 1.8 3.28878 ! force: 0.0843644 assign (residue 3 and name HB12) (residue 3 and name HB2#) 0.0 1.8 2.64077 ! force: 0.142549 assign (residue 3 and name HN) (residue 3 and name HG11) 0.0 1.8 4.67143 ! force: 0.21498 assign (residue 3 and name HB11) (residue 3 and name HG11) 0.0 1.8 2.72875 ! force: 0.18298 assign (residue 3 and name HB12) (residue 3 and name HG11) 0.0 1.8 2.56869 ! force: 0.228599 assign (residue 3 and name HB2#) (residue 3 and name HG11) 0.0 1.8 3.51505 ! force: 0.0635433 assign (residue 3 and name HN) (residue 3 and name HG12) 0.0 1.8 4.63906 ! force: 0.138381 assign (residue 3 and name HB11) (residue 3 and name HG12) 0.0 1.8 3.12622 ! force: 0.0258698 assign (residue 3 and name HB12) (residue 3 and name HG12) 0.0 1.8 2.67474 ! force: 0.022084 assign (residue 3 and name HG11) (residue 3 and name HG12) 0.0 1.8 1.86901 ! force: 0.0631139 assign (residue 3 and name HB11) (residue 3 and name HD11) 0.0 1.8 2.95488 ! force: 0.0230713 assign (residue 3 and name HB12) (residue 3 and name HD11) 0.0 1.8 3.88116 ! force: 0.0303897 assign (residue 3 and name HB2#) (residue 3 and name HD11) 0.0 1.8 3.56606 ! force: 0.0772124 assign (residue 3 and name HG11) (residue 3 and name HD11) 0.0 1.8 3.05707 ! force: 0.182094 assign (residue 3 and name HG12) (residue 3 and name HD11) 0.0 1.8 2.52251 ! force: 0.0191554 assign (residue 3 and name HN) (residue 3 and name HD12) 0.0 1.8 4.78469 ! force: 0.586271 assign (residue 3 and name HB11) (residue 3 and name HD12) 0.0 1.8 2.61332 ! force: 0.0643283 assign (residue 3 and name HB2#) (residue 3 and name HD12) 0.0 1.8 3.82462 ! force: 0.304246 assign (residue 3 and name HG11) (residue 3 and name HD12) 0.0 1.8 2.80428 ! force: 0.401794 assign (residue 3 and name HG12) (residue 3 and name HD12) 0.0 1.8 3.09093 ! force: 0.0685871 assign (residue 3 and name HD11) (residue 3 and name HD12) 0.0 1.8 1.84246 ! force: 0.0565007 assign (residue 3 and name HB11) (residue 3 and name HE1) 0.0 1.8 4.80961 ! force: 0.197006 assign (residue 3 and name HB12) (residue 3 and name HE1) 0.0 1.8 4.96199 ! force: 0.173448 assign (residue 3 and name HG11) (residue 3 and name HE1) 0.0 1.8 3.54978 ! force: 0.864457 assign (residue 3 and name HG12) (residue 3 and name HE1) 0.0 1.8 3.20166 ! force: 0.128643 assign (residue 3 and name HD11) (residue 3 and name HE1) 0.0 1.8 3.03819 ! force: 0.185663 assign (residue 3 and name HD12) (residue 3 and name HE1) 0.0 1.8 3.01553 ! force: 0.38846 assign (residue 4 and name HN) (residue 4 and name HA) 0.0 1.8 2.86657 ! force: 0.116105 assign (residue 4 and name HN) (residue 4 and name HB1) 0.0 1.8 2.92805 ! force: 0.0715111 assign (residue 4 and name HA) (residue 4 and name HB1) 0.0 1.8 3.10632 ! force: 0.0675119 assign (residue 4 and name HN) (residue 4 and name HB2) 0.0 1.8 2.72595 ! force: 0.177255 assign (residue 4 and name HA) (residue 4 and name HB2) 0.0 1.8 2.76424 ! force: 0.186064 assign (residue 4 and name HB1) (residue 4 and name HB2) 0.0 1.8 1.84607 ! force: 0.023477 assign (residue 4 and name HN) (residue 4 and name HG) 0.0 1.8 4.67415 ! force: 0.0821295 assign (residue 4 and name HA) (residue 4 and name HG) 0.0 1.8 3.93605 ! force: 0.0780104 assign (residue 4 and name HB2) (residue 4 and name HG) 0.0 1.8 2.87818 ! force: 0.0360765 assign (residue 4 and name HN) (residue 4 and name HD1#) 0.0 1.8 3.94734 ! force: 0.0998295 assign (residue 4 and name HA) (residue 4 and name HD1#) 0.0 1.8 3.20293 ! force: 0.102252 assign (residue 4 and name HB1) (residue 4 and name HD1#) 0.0 1.8 2.63965 ! force: 0.0178937 assign (residue 4 and name HB2) (residue 4 and name HD1#) 0.0 1.8 3.37998 ! force: 0.1015 assign (residue 4 and name HG) (residue 4 and name HD1#) 0.0 1.8 2.21109 ! force: 0.0181007 assign (residue 4 and name HN) (residue 4 and name HD2#) 0.0 1.8 4.42308 ! force: 0.170962 assign (residue 4 and name HA) (residue 4 and name HD2#) 0.0 1.8 3.4917 ! force: 0.166538 assign (residue 4 and name HB1) (residue 4 and name HD2#) 0.0 1.8 3.34205 ! force: 0.0278447 assign (residue 4 and name HB2) (residue 4 and name HD2#) 0.0 1.8 2.53459 ! force: 0.16305 assign (residue 4 and name HG) (residue 4 and name HD2#) 0.0 1.8 2.19819 ! force: 0.0283429 assign (residue 5 and name HN) (residue 5 and name HA) 0.0 1.8 2.99147 ! force: 0.321364 assign (residue 5 and name HN) (residue 5 and name HB#) 0.0 1.8 2.47933 ! force: 0.341474 assign (residue 5 and name HA) (residue 5 and name HB#) 0.0 1.8 2.59412 ! force: 0.504596 assign (residue 5 and name HN) (residue 5 and name HD2) 0.0 1.8 4.85198 ! force: 0.226556 assign (residue 5 and name HA) (residue 5 and name HD2) 0.0 1.8 4.30782 ! force: 0.591116 assign (residue 5 and name HB#) (residue 5 and name HD2) 0.0 1.8 3.32936 ! force: 0.610983 assign (residue 5 and name HB#) (residue 5 and name HE1) 0.0 1.8 4.65181 ! force: 0.33167 assign (residue 5 and name HD2) (residue 5 and name HE1) 0.0 1.8 4.34096 ! force: 0.116874 assign (residue 6 and name HN) (residue 6 and name HA) 0.0 1.8 2.95022 ! force: 0.222019 assign (residue 6 and name HN) (residue 6 and name HB1) 0.0 1.8 2.84213 ! force: 0.224707 assign (residue 6 and name HA) (residue 6 and name HB1) 0.0 1.8 2.93105 ! force: 0.0942829 assign (residue 6 and name HN) (residue 6 and name HB2) 0.0 1.8 2.92644 ! force: 0.752014 assign (residue 6 and name HA) (residue 6 and name HB2) 0.0 1.8 3.06323 ! force: 0.333122 assign (residue 6 and name HB1) (residue 6 and name HB2) 0.0 1.8 1.85099 ! force: 0.0977054 assign (residue 6 and name HN) (residue 6 and name HG1) 0.0 1.8 4.07641 ! force: 0.424434 assign (residue 6 and name HA) (residue 6 and name HG1) 0.0 1.8 3.78414 ! force: 0.216725 assign (residue 6 and name HB1) (residue 6 and name HG1) 0.0 1.8 2.66113 ! force: 0.0989655 assign (residue 6 and name HN) (residue 6 and name HG2) 0.0 1.8 3.51075 ! force: 0.483449 assign (residue 6 and name HA) (residue 6 and name HG2) 0.0 1.8 2.82842 ! force: 0.143945 assign (residue 6 and name HB1) (residue 6 and name HG2) 0.0 1.8 3.09256 ! force: 0.0902354 assign (residue 6 and name HB2) (residue 6 and name HG2) 0.0 1.8 3.10499 ! force: 0.217193 assign (residue 6 and name HB1) (residue 6 and name HE21) 0.0 1.8 4.49448 ! force: 0.0536121 assign (residue 6 and name HB2) (residue 6 and name HE21) 0.0 1.8 4.49671 ! force: 0.141456 assign (residue 6 and name HG1) (residue 6 and name HE21) 0.0 1.8 3.65198 ! force: 0.0344908 assign (residue 6 and name HG2) (residue 6 and name HE21) 0.0 1.8 3.35616 ! force: 0.0258697 assign (residue 6 and name HB1) (residue 6 and name HE22) 0.0 1.8 4.37966 ! force: 0.229006 assign (residue 6 and name HB2) (residue 6 and name HE22) 0.0 1.8 4.73223 ! force: 0.747511 assign (residue 6 and name HG1) (residue 6 and name HE22) 0.0 1.8 4.02604 ! force: 0.550029 assign (residue 6 and name HG2) (residue 6 and name HE22) 0.0 1.8 3.54719 ! force: 0.444336 assign (residue 6 and name HE21) (residue 6 and name HE22) 0.0 1.8 1.82672 ! force: 0.203068 assign (residue 7 and name HN) (residue 7 and name HB11) 0.0 1.8 3.51614 ! force: 0.137088 assign (residue 7 and name HN) (residue 7 and name HB12) 0.0 1.8 2.86019 ! force: 0.213748 assign (residue 7 and name HB11) (residue 7 and name HB12) 0.0 1.8 1.84417 ! force: 0.0195936 assign (residue 7 and name HN) (residue 7 and name HB2#) 0.0 1.8 3.11723 ! force: 0.302448 assign (residue 7 and name HB11) (residue 7 and name HB2#) 0.0 1.8 2.55911 ! force: 0.0416841 assign (residue 7 and name HB12) (residue 7 and name HB2#) 0.0 1.8 3.33891 ! force: 0.0895227 assign (residue 7 and name HN) (residue 7 and name HG11) 0.0 1.8 3.37051 ! force: 0.235087 assign (residue 7 and name HB11) (residue 7 and name HG11) 0.0 1.8 3.10209 ! force: 0.0517447 assign (residue 7 and name HB12) (residue 7 and name HG11) 0.0 1.8 2.94845 ! force: 0.0492183 assign (residue 7 and name HN) (residue 7 and name HG12) 0.0 1.8 3.42211 ! force: 0.355267 assign (residue 7 and name HB11) (residue 7 and name HG12) 0.0 1.8 2.67656 ! force: 0.0795154 assign (residue 7 and name HB12) (residue 7 and name HG12) 0.0 1.8 2.98183 ! force: 0.0729986 assign (residue 7 and name HB2#) (residue 7 and name HG12) 0.0 1.8 3.14783 ! force: 0.0491349 assign (residue 7 and name HG11) (residue 7 and name HG12) 0.0 1.8 1.85346 ! force: 0.0552514 assign (residue 7 and name HN) (residue 7 and name HD11) 0.0 1.8 4.70028 ! force: 0.103871 assign (residue 7 and name HB12) (residue 7 and name HD11) 0.0 1.8 3.32768 ! force: 0.0163293 assign (residue 7 and name HB2#) (residue 7 and name HD11) 0.0 1.8 4.36446 ! force: 0.0392445 assign (residue 7 and name HG11) (residue 7 and name HD11) 0.0 1.8 2.98376 ! force: 0.0372559 assign (residue 7 and name HG12) (residue 7 and name HD11) 0.0 1.8 2.84463 ! force: 0.057436 assign (residue 7 and name HN) (residue 7 and name HD12) 0.0 1.8 4.38758 ! force: 0.198654 assign (residue 7 and name HB11) (residue 7 and name HD12) 0.0 1.8 3.45301 ! force: 0.017205 assign (residue 7 and name HB2#) (residue 7 and name HD12) 0.0 1.8 3.54498 ! force: 0.0783217 assign (residue 7 and name HG11) (residue 7 and name HD12) 0.0 1.8 2.33376 ! force: 0.04372 assign (residue 7 and name HG12) (residue 7 and name HD12) 0.0 1.8 3.01005 ! force: 0.0649195 assign (residue 7 and name HD11) (residue 7 and name HD12) 0.0 1.8 1.83819 ! force: 0.0148072 assign (residue 7 and name HB11) (residue 7 and name HE1) 0.0 1.8 3.91586 ! force: 0.128067 assign (residue 7 and name HB12) (residue 7 and name HE1) 0.0 1.8 4.90117 ! force: 0.210103 assign (residue 7 and name HB2#) (residue 7 and name HE1) 0.0 1.8 4.13387 ! force: 0.208909 assign (residue 7 and name HG11) (residue 7 and name HE1) 0.0 1.8 3.27223 ! force: 0.252184 assign (residue 7 and name HG12) (residue 7 and name HE1) 0.0 1.8 4.18563 ! force: 0.367531 assign (residue 7 and name HD11) (residue 7 and name HE1) 0.0 1.8 2.9015 ! force: 0.131198 assign (residue 7 and name HD12) (residue 7 and name HE1) 0.0 1.8 2.99965 ! force: 0.183147 assign (residue 8 and name HN) (residue 8 and name HA) 0.0 1.8 2.92449 ! force: 0.171622 assign (residue 8 and name HN) (residue 8 and name HB1) 0.0 1.8 3.14718 ! force: 0.205752 assign (residue 8 and name HA) (residue 8 and name HB1) 0.0 1.8 3.11144 ! force: 0.0705982 assign (residue 8 and name HN) (residue 8 and name HB2) 0.0 1.8 2.64667 ! force: 0.257167 assign (residue 8 and name HA) (residue 8 and name HB2) 0.0 1.8 2.95018 ! force: 0.0786387 assign (residue 8 and name HB1) (residue 8 and name HB2) 0.0 1.8 1.84894 ! force: 0.034659 assign (residue 8 and name HN) (residue 8 and name HG) 0.0 1.8 4.63956 ! force: 0.190823 assign (residue 8 and name HA) (residue 8 and name HG) 0.0 1.8 3.86197 ! force: 0.0551958 assign (residue 8 and name HB1) (residue 8 and name HG) 0.0 1.8 2.70715 ! force: 0.0285933 assign (residue 8 and name HN) (residue 8 and name HD1#) 0.0 1.8 4.54092 ! force: 0.28261 assign (residue 8 and name HA) (residue 8 and name HD1#) 0.0 1.8 3.0118 ! force: 0.12257 assign (residue 8 and name HB1) (residue 8 and name HD1#) 0.0 1.8 2.66293 ! force: 0.0759435 assign (residue 8 and name HB2) (residue 8 and name HD1#) 0.0 1.8 3.38449 ! force: 0.0450765 assign (residue 8 and name HG) (residue 8 and name HD1#) 0.0 1.8 2.21179 ! force: 0.0417433 assign (residue 8 and name HN) (residue 8 and name HD2#) 0.0 1.8 3.90655 ! force: 0.196463 assign (residue 8 and name HA) (residue 8 and name HD2#) 0.0 1.8 3.67187 ! force: 0.102452 assign (residue 8 and name HB1) (residue 8 and name HD2#) 0.0 1.8 3.33469 ! force: 0.0278244 assign (residue 8 and name HB2) (residue 8 and name HD2#) 0.0 1.8 2.50579 ! force: 0.0286641 assign (residue 8 and name HG) (residue 8 and name HD2#) 0.0 1.8 2.20594 ! force: 0.0253401 assign (residue 8 and name HD1#) (residue 8 and name HD2#) 0.0 1.8 2.16194 ! force: 0.0104506 assign (residue 9 and name HN) (residue 9 and name HA) 0.0 1.8 2.98296 ! force: 0.215791 assign (residue 9 and name HN) (residue 9 and name HB1) 0.0 1.8 3.73794 ! force: 0.0905419 assign (residue 9 and name HA) (residue 9 and name HB1) 0.0 1.8 2.86832 ! force: 0.0686633 assign (residue 9 and name HN) (residue 9 and name HB2) 0.0 1.8 2.92377 ! force: 0.232637 assign (residue 9 and name HA) (residue 9 and name HB2) 0.0 1.8 3.05501 ! force: 0.114526 assign (residue 9 and name HB1) (residue 9 and name HB2) 0.0 1.8 1.85614 ! force: 0.0311047 assign (residue 9 and name HN) (residue 9 and name HG#) 0.0 1.8 3.1816 ! force: 0.318456 assign (residue 9 and name HA) (residue 9 and name HG#) 0.0 1.8 3.00041 ! force: 0.0996407 assign (residue 9 and name HB1) (residue 9 and name HG#) 0.0 1.8 2.45536 ! force: 0.0733599 assign (residue 9 and name HB2) (residue 9 and name HG#) 0.0 1.8 2.42811 ! force: 0.146129 assign (residue 9 and name HB1) (residue 9 and name HE21) 0.0 1.8 4.51775 ! force: 0.0582115 assign (residue 9 and name HB2) (residue 9 and name HE21) 0.0 1.8 4.76675 ! force: 0.106963 assign (residue 9 and name HG#) (residue 9 and name HE21) 0.0 1.8 2.80824 ! force: 0.0176296 assign (residue 9 and name HG#) (residue 9 and name HE22) 0.0 1.8 3.6127 ! force: 0.354014 assign (residue 9 and name HE21) (residue 9 and name HE22) 0.0 1.8 1.82871 ! force: 0.228494 assign (residue 10 and name HN) (residue 10 and name HA) 0.0 1.8 2.94875 ! force: 0.464755 assign (residue 10 and name HN) (residue 10 and name HB1) 0.0 1.8 2.89686 ! force: 0.91924 assign (residue 10 and name HA) (residue 10 and name HB1) 0.0 1.8 3.13551 ! force: 0.294727 assign (residue 10 and name HN) (residue 10 and name HB2) 0.0 1.8 3.24211 ! force: 0.683246 assign (residue 10 and name HA) (residue 10 and name HB2) 0.0 1.8 3.08912 ! force: 0.309327 assign (residue 10 and name HB1) (residue 10 and name HB2) 0.0 1.8 1.85753 ! force: 0.542781 assign (residue 11 and name HN) (residue 11 and name HA) 0.0 1.8 3.01581 ! force: 0.172111 assign (residue 11 and name HN) (residue 11 and name HB1) 0.0 1.8 3.10996 ! force: 0.199 assign (residue 11 and name HA) (residue 11 and name HB1) 0.0 1.8 2.91001 ! force: 0.163566 assign (residue 11 and name HN) (residue 11 and name HB2) 0.0 1.8 3.71317 ! force: 0.107194 assign (residue 11 and name HA) (residue 11 and name HB2) 0.0 1.8 3.13018 ! force: 0.0942472 assign (residue 11 and name HB1) (residue 11 and name HB2) 0.0 1.8 1.86171 ! force: 0.0107708 assign (residue 12 and name HN1) (residue 12 and name HN2) 0.0 1.8 1.82648 ! force: 0.491665 ! File: p145c_long-range.txt ! Description: long-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format. ! Note: the force value following each entry describes the individual weighting applied ! to that restraint. This value is a measure of the confidence of the NOE distance ! restraint assignment. Individual force constants are not available in X-PLOR/CNS. ! Disclaimer: these restraints have not been tested in either X-PLOR or CNS. ! File: p145c_sequential.txt ! Description: sequential NOE restraints from NMRSwarm calculation in X-PLOR/CNS format. ! Note: the force value following each entry describes the individual weighting applied ! to that restraint. This value is a measure of the confidence of the NOE distance ! restraint assignment. Individual force constants are not available in X-PLOR/CNS. ! Disclaimer: these restraints have not been tested in either X-PLOR or CNS. assign (residue 0 and name HB#) (residue 1 and name HN) 0.0 1.8 2.3592 ! force: 0.120749 assign (residue 0 and name HB#) (residue 1 and name HA) 0.0 1.8 3.91432 ! force: 0.245048 assign (residue 0 and name HB#) (residue 1 and name HB1) 0.0 1.8 4.57768 ! force: 0.148655 assign (residue 0 and name HB#) (residue 1 and name HB2) 0.0 1.8 4.25246 ! force: 0.126419 assign (residue 1 and name HA) (residue 2 and name HN) 0.0 1.8 3.60838 ! force: 0.233742 assign (residue 1 and name HB1) (residue 2 and name HN) 0.0 1.8 3.88351 ! force: 0.329053 assign (residue 1 and name HB2) (residue 2 and name HN) 0.0 1.8 4.09321 ! force: 0.297859 assign (residue 1 and name HA) (residue 2 and name HA) 0.0 1.8 4.95886 ! force: 0.102604 assign (residue 1 and name HB1) (residue 2 and name HA) 0.0 1.8 4.58699 ! force: 0.194763 assign (residue 1 and name HB1) (residue 2 and name HG2) 0.0 1.8 4.88735 ! force: 0.0467509 assign (residue 2 and name HN) (residue 3 and name HN) 0.0 1.8 3.30808 ! force: 0.676557 assign (residue 2 and name HA) (residue 3 and name HN) 0.0 1.8 3.70423 ! force: 0.207329 assign (residue 2 and name HB1) (residue 3 and name HN) 0.0 1.8 4.36195 ! force: 0.196172 assign (residue 2 and name HB2) (residue 3 and name HN) 0.0 1.8 3.48056 ! force: 0.393037 assign (residue 2 and name HG1) (residue 3 and name HN) 0.0 1.8 4.78311 ! force: 0.267667 assign (residue 2 and name HD#) (residue 3 and name HN) 0.0 1.8 4.94282 ! force: 0.249545 assign (residue 2 and name HG1) (residue 3 and name HB11) 0.0 1.8 4.88187 ! force: 0.0591177 assign (residue 2 and name HB2) (residue 3 and name HB12) 0.0 1.8 4.88939 ! force: 0.0635146 assign (residue 2 and name HN) (residue 3 and name HB2#) 0.0 1.8 4.96127 ! force: 0.27557 assign (residue 2 and name HA) (residue 3 and name HB2#) 0.0 1.8 4.51438 ! force: 0.1142 assign (residue 2 and name HB1) (residue 3 and name HB2#) 0.0 1.8 3.31053 ! force: 0.0806 assign (residue 2 and name HB2) (residue 3 and name HB2#) 0.0 1.8 3.5953 ! force: 0.155353 assign (residue 2 and name HD#) (residue 3 and name HB2#) 0.0 1.8 4.83796 ! force: 0.131582 assign (residue 3 and name HN) (residue 4 and name HN) 0.0 1.8 3.29044 ! force: 0.32043 assign (residue 3 and name HB11) (residue 4 and name HN) 0.0 1.8 2.93663 ! force: 0.113409 assign (residue 3 and name HB12) (residue 4 and name HN) 0.0 1.8 3.87384 ! force: 0.118573 assign (residue 3 and name HB2#) (residue 4 and name HN) 0.0 1.8 3.90937 ! force: 0.168068 assign (residue 3 and name HG11) (residue 4 and name HN) 0.0 1.8 4.35767 ! force: 0.345945 assign (residue 3 and name HG12) (residue 4 and name HN) 0.0 1.8 4.52926 ! force: 0.0555935 assign (residue 3 and name HD11) (residue 4 and name HN) 0.0 1.8 3.66807 ! force: 0.104179 assign (residue 3 and name HD12) (residue 4 and name HN) 0.0 1.8 3.473 ! force: 0.251761 assign (residue 3 and name HB11) (residue 4 and name HA) 0.0 1.8 4.2226 ! force: 0.139819 assign (residue 3 and name HB2#) (residue 4 and name HA) 0.0 1.8 4.79166 ! force: 0.167645 assign (residue 3 and name HD11) (residue 4 and name HA) 0.0 1.8 3.36253 ! force: 0.0861782 assign (residue 3 and name HD12) (residue 4 and name HA) 0.0 1.8 3.0712 ! force: 0.293405 assign (residue 3 and name HB11) (residue 4 and name HB1) 0.0 1.8 4.86464 ! force: 0.0327127 assign (residue 3 and name HD11) (residue 4 and name HB1) 0.0 1.8 4.65514 ! force: 0.0228036 assign (residue 3 and name HB11) (residue 4 and name HB2) 0.0 1.8 4.06196 ! force: 0.0385223 assign (residue 3 and name HD12) (residue 4 and name HB2) 0.0 1.8 3.58613 ! force: 0.187563 assign (residue 3 and name HD11) (residue 4 and name HD1#) 0.0 1.8 4.98658 ! force: 0.023627 assign (residue 3 and name HD12) (residue 4 and name HD1#) 0.0 1.8 3.43895 ! force: 0.126297 assign (residue 3 and name HE1) (residue 4 and name HD1#) 0.0 1.8 4.06285 ! force: 0.125123 assign (residue 3 and name HD11) (residue 4 and name HD2#) 0.0 1.8 4.69307 ! force: 0.0555432 assign (residue 3 and name HD12) (residue 4 and name HD2#) 0.0 1.8 4.55483 ! force: 0.178236 assign (residue 4 and name HA) (residue 5 and name HN) 0.0 1.8 3.63823 ! force: 0.203453 assign (residue 4 and name HB1) (residue 5 and name HN) 0.0 1.8 3.34134 ! force: 0.116198 assign (residue 4 and name HB2) (residue 5 and name HN) 0.0 1.8 4.34301 ! force: 0.302381 assign (residue 4 and name HD1#) (residue 5 and name HN) 0.0 1.8 4.01512 ! force: 0.196895 assign (residue 4 and name HD2#) (residue 5 and name HN) 0.0 1.8 4.97233 ! force: 0.308762 assign (residue 4 and name HA) (residue 5 and name HA) 0.0 1.8 4.96674 ! force: 0.266865 assign (residue 4 and name HB1) (residue 5 and name HA) 0.0 1.8 4.23601 ! force: 0.181353 assign (residue 4 and name HD2#) (residue 5 and name HA) 0.0 1.8 4.95975 ! force: 0.526423 assign (residue 4 and name HN) (residue 5 and name HB#) 0.0 1.8 4.65369 ! force: 0.214594 assign (residue 4 and name HB1) (residue 5 and name HB#) 0.0 1.8 4.46595 ! force: 0.177197 assign (residue 5 and name HN) (residue 6 and name HN) 0.0 1.8 2.91305 ! force: 0.548767 assign (residue 5 and name HA) (residue 6 and name HN) 0.0 1.8 3.65816 ! force: 0.644371 assign (residue 5 and name HB#) (residue 6 and name HN) 0.0 1.8 3.11285 ! force: 0.921703 assign (residue 5 and name HD2) (residue 6 and name HN) 0.0 1.8 4.97847 ! force: 0.487829 assign (residue 5 and name HA) (residue 6 and name HA) 0.0 1.8 4.98193 ! force: 0.0547566 assign (residue 5 and name HB#) (residue 6 and name HA) 0.0 1.8 4.11829 ! force: 0.406364 assign (residue 5 and name HN) (residue 6 and name HB2) 0.0 1.8 4.68783 ! force: 0.398404 assign (residue 5 and name HB#) (residue 6 and name HB2) 0.0 1.8 4.66623 ! force: 0.804263 assign (residue 5 and name HB#) (residue 6 and name HG2) 0.0 1.8 4.7647 ! force: 0.421249 assign (residue 6 and name HN) (residue 7 and name HN) 0.0 1.8 3.04245 ! force: 0.794553 assign (residue 6 and name HA) (residue 7 and name HN) 0.0 1.8 3.70501 ! force: 0.190781 assign (residue 6 and name HB1) (residue 7 and name HN) 0.0 1.8 3.2415 ! force: 0.195568 assign (residue 6 and name HB2) (residue 7 and name HN) 0.0 1.8 3.15098 ! force: 0.699688 assign (residue 6 and name HG2) (residue 7 and name HN) 0.0 1.8 4.58168 ! force: 0.244916 assign (residue 6 and name HN) (residue 7 and name HB2#) 0.0 1.8 4.97654 ! force: 0.370528 assign (residue 6 and name HA) (residue 7 and name HB2#) 0.0 1.8 4.47261 ! force: 0.130364 assign (residue 6 and name HB1) (residue 7 and name HB2#) 0.0 1.8 3.15644 ! force: 0.0892152 assign (residue 6 and name HB2) (residue 7 and name HB2#) 0.0 1.8 3.97352 ! force: 0.348352 assign (residue 6 and name HB1) (residue 7 and name HG11) 0.0 1.8 4.20867 ! force: 0.0478142 assign (residue 6 and name HB2) (residue 7 and name HG11) 0.0 1.8 4.22536 ! force: 0.282822 assign (residue 6 and name HG2) (residue 7 and name HG11) 0.0 1.8 4.91663 ! force: 0.150403 assign (residue 6 and name HN) (residue 7 and name HG12) 0.0 1.8 4.58131 ! force: 0.388754 assign (residue 6 and name HB2) (residue 7 and name HG12) 0.0 1.8 4.51363 ! force: 0.357211 assign (residue 6 and name HN) (residue 7 and name HD11) 0.0 1.8 4.30749 ! force: 0.0767429 assign (residue 6 and name HB2) (residue 7 and name HD11) 0.0 1.8 3.99259 ! force: 0.038768 assign (residue 6 and name HN) (residue 7 and name HD12) 0.0 1.8 4.3179 ! force: 0.254725 assign (residue 7 and name HN) (residue 8 and name HN) 0.0 1.8 3.16692 ! force: 0.686281 assign (residue 7 and name HB11) (residue 8 and name HN) 0.0 1.8 3.88245 ! force: 0.190122 assign (residue 7 and name HB12) (residue 8 and name HN) 0.0 1.8 2.88177 ! force: 0.183404 assign (residue 7 and name HB2#) (residue 8 and name HN) 0.0 1.8 3.72884 ! force: 0.24973 assign (residue 7 and name HG11) (residue 8 and name HN) 0.0 1.8 4.59088 ! force: 0.222268 assign (residue 7 and name HG12) (residue 8 and name HN) 0.0 1.8 4.22111 ! force: 0.309939 assign (residue 7 and name HD11) (residue 8 and name HN) 0.0 1.8 4.76704 ! force: 0.117822 assign (residue 7 and name HB11) (residue 8 and name HA) 0.0 1.8 4.70136 ! force: 0.0866987 assign (residue 7 and name HB12) (residue 8 and name HA) 0.0 1.8 4.0896 ! force: 0.0738895 assign (residue 7 and name HB2#) (residue 8 and name HA) 0.0 1.8 4.79071 ! force: 0.088329 assign (residue 7 and name HN) (residue 8 and name HB2) 0.0 1.8 4.58018 ! force: 0.200569 assign (residue 7 and name HB12) (residue 8 and name HB2) 0.0 1.8 4.14901 ! force: 0.0471651 assign (residue 7 and name HB12) (residue 8 and name HD1#) 0.0 1.8 4.7069 ! force: 0.0966 assign (residue 8 and name HA) (residue 9 and name HN) 0.0 1.8 3.63564 ! force: 0.185492 assign (residue 8 and name HB1) (residue 9 and name HN) 0.0 1.8 3.1933 ! force: 0.222949 assign (residue 8 and name HB2) (residue 9 and name HN) 0.0 1.8 4.26925 ! force: 0.263544 assign (residue 8 and name HG) (residue 9 and name HN) 0.0 1.8 4.35486 ! force: 0.199581 assign (residue 8 and name HD1#) (residue 9 and name HN) 0.0 1.8 4.13274 ! force: 0.294017 assign (residue 8 and name HD2#) (residue 9 and name HN) 0.0 1.8 4.98271 ! force: 0.239875 assign (residue 8 and name HB1) (residue 9 and name HA) 0.0 1.8 4.38828 ! force: 0.0741182 assign (residue 8 and name HD2#) (residue 9 and name HA) 0.0 1.8 4.52138 ! force: 0.112396 assign (residue 8 and name HB1) (residue 9 and name HB2) 0.0 1.8 4.77084 ! force: 0.0617146 assign (residue 8 and name HB1) (residue 9 and name HG#) 0.0 1.8 3.97332 ! force: 0.0668006 assign (residue 8 and name HG) (residue 9 and name HG#) 0.0 1.8 4.94885 ! force: 0.0555906 assign (residue 8 and name HD2#) (residue 9 and name HG#) 0.0 1.8 4.08714 ! force: 0.058593 assign (residue 9 and name HN) (residue 10 and name HN) 0.0 1.8 3.01624 ! force: 0.831068 assign (residue 9 and name HA) (residue 10 and name HN) 0.0 1.8 3.66889 ! force: 0.276272 assign (residue 9 and name HB1) (residue 10 and name HN) 0.0 1.8 3.81959 ! force: 0.268436 assign (residue 9 and name HB2) (residue 10 and name HN) 0.0 1.8 3.37667 ! force: 0.537711 assign (residue 9 and name HG#) (residue 10 and name HN) 0.0 1.8 4.22143 ! force: 0.231283 assign (residue 9 and name HA) (residue 10 and name HA) 0.0 1.8 4.93481 ! force: 0.178256 assign (residue 9 and name HB1) (residue 10 and name HA) 0.0 1.8 4.54039 ! force: 0.106409 assign (residue 9 and name HB2) (residue 10 and name HA) 0.0 1.8 4.7165 ! force: 0.224353 assign (residue 9 and name HN) (residue 10 and name HB1) 0.0 1.8 4.84636 ! force: 0.710252 assign (residue 10 and name HN) (residue 11 and name HN) 0.0 1.8 3.00422 ! force: 0.213585 assign (residue 10 and name HA) (residue 11 and name HN) 0.0 1.8 3.51348 ! force: 0.165286 assign (residue 10 and name HB1) (residue 11 and name HN) 0.0 1.8 3.7834 ! force: 0.461156 assign (residue 10 and name HB2) (residue 11 and name HN) 0.0 1.8 4.25701 ! force: 0.273817 assign (residue 10 and name HA) (residue 11 and name HA) 0.0 1.8 4.869 ! force: 0.320782 assign (residue 10 and name HN) (residue 11 and name HB2) 0.0 1.8 4.92788 ! force: 0.253324 assign (residue 11 and name HN) (residue 12 and name HN1) 0.0 1.8 3.476 ! force: 0.459717 assign (residue 11 and name HA) (residue 12 and name HN1) 0.0 1.8 3.72917 ! force: 0.338948 assign (residue 11 and name HB1) (residue 12 and name HN1) 0.0 1.8 4.62665 ! force: 0.48353 assign (residue 11 and name HB2) (residue 12 and name HN1) 0.0 1.8 4.3243 ! force: 0.237611 assign (residue 11 and name HN) (residue 12 and name HN2) 0.0 1.8 4.19508 ! force: 0.440662 assign (residue 11 and name HA) (residue 12 and name HN2) 0.0 1.8 4.21495 ! force: 0.455332 assign (residue 11 and name HB2) (residue 12 and name HN2) 0.0 1.8 4.67673 ! force: 0.281456 ! File: p145c_short-range.txt ! Description: short-range NOE restraints from NMRSwarm calculation in X-PLOR/CNS format. ! Note: the force value following each entry describes the individual weighting applied ! to that restraint. This value is a measure of the confidence of the NOE distance ! restraint assignment. Individual force constants are not available in X-PLOR/CNS. ! Disclaimer: these restraints have not been tested in either X-PLOR or CNS. assign (residue 0 and name HB#) (residue 2 and name HN) 0.0 1.8 3.45063 ! force: 0.162353 assign (residue 0 and name HB#) (residue 2 and name HB2) 0.0 1.8 4.36163 ! force: 0.0953437 assign (residue 0 and name HB#) (residue 3 and name HN) 0.0 1.8 3.59242 ! force: 0.358422 assign (residue 1 and name HN) (residue 3 and name HN) 0.0 1.8 4.88175 ! force: 0.652285 assign (residue 1 and name HA) (residue 3 and name HN) 0.0 1.8 4.97819 ! force: 0.516361 assign (residue 0 and name HB#) (residue 3 and name HB11) 0.0 1.8 3.58794 ! force: 0.0523868 assign (residue 0 and name HB#) (residue 4 and name HN) 0.0 1.8 4.31812 ! force: 0.187364 assign (residue 1 and name HA) (residue 4 and name HN) 0.0 1.8 4.72798 ! force: 0.285573 assign (residue 2 and name HN) (residue 4 and name HN) 0.0 1.8 4.69393 ! force: 0.352437 assign (residue 1 and name HA) (residue 4 and name HB1) 0.0 1.8 4.6828 ! force: 0.154965 assign (residue 1 and name HA) (residue 4 and name HB2) 0.0 1.8 4.83189 ! force: 0.425897 assign (residue 2 and name HA) (residue 5 and name HN) 0.0 1.8 3.87427 ! force: 0.195418 assign (residue 3 and name HN) (residue 5 and name HN) 0.0 1.8 4.29309 ! force: 0.542311 assign (residue 3 and name HB2#) (residue 5 and name HN) 0.0 1.8 4.10778 ! force: 0.261374 assign (residue 2 and name HN) (residue 5 and name HB#) 0.0 1.8 4.92121 ! force: 0.621635 assign (residue 2 and name HA) (residue 5 and name HB#) 0.0 1.8 3.6036 ! force: 0.382053 assign (residue 2 and name HB1) (residue 5 and name HB#) 0.0 1.8 4.08257 ! force: 0.186911 assign (residue 2 and name HB2) (residue 5 and name HB#) 0.0 1.8 4.46362 ! force: 0.424519 assign (residue 2 and name HG2) (residue 5 and name HB#) 0.0 1.8 4.71515 ! force: 0.416462 assign (residue 3 and name HB2#) (residue 5 and name HB#) 0.0 1.8 4.39907 ! force: 0.364783 assign (residue 2 and name HA) (residue 6 and name HN) 0.0 1.8 4.92894 ! force: 0.266119 assign (residue 3 and name HB2#) (residue 6 and name HN) 0.0 1.8 3.29336 ! force: 0.416819 assign (residue 4 and name HN) (residue 6 and name HN) 0.0 1.8 4.53409 ! force: 0.407371 assign (residue 4 and name HA) (residue 6 and name HN) 0.0 1.8 4.46389 ! force: 0.394414 assign (residue 3 and name HB2#) (residue 6 and name HA) 0.0 1.8 4.71423 ! force: 0.145121 assign (residue 3 and name HB2#) (residue 6 and name HB1) 0.0 1.8 3.5842 ! force: 0.0845243 assign (residue 3 and name HB2#) (residue 6 and name HB2) 0.0 1.8 2.7889 ! force: 0.387898 assign (residue 3 and name HD11) (residue 6 and name HB2) 0.0 1.8 4.38407 ! force: 0.0818916 assign (residue 4 and name HA) (residue 6 and name HB2) 0.0 1.8 4.98019 ! force: 0.178836 assign (residue 2 and name HB1) (residue 6 and name HG1) 0.0 1.8 4.86299 ! force: 0.066374 assign (residue 3 and name HB2#) (residue 6 and name HG1) 0.0 1.8 3.08939 ! force: 0.24802 assign (residue 2 and name HB1) (residue 6 and name HG2) 0.0 1.8 4.83558 ! force: 0.0722867 assign (residue 3 and name HB2#) (residue 6 and name HG2) 0.0 1.8 3.78592 ! force: 0.136749 assign (residue 3 and name HB2#) (residue 6 and name HE21) 0.0 1.8 4.45848 ! force: 0.14976 assign (residue 3 and name HB2#) (residue 6 and name HE22) 0.0 1.8 4.37585 ! force: 0.373855 assign (residue 3 and name HB2#) (residue 7 and name HN) 0.0 1.8 3.96465 ! force: 0.329119 assign (residue 3 and name HD11) (residue 7 and name HN) 0.0 1.8 3.67636 ! force: 0.194834 assign (residue 4 and name HA) (residue 7 and name HN) 0.0 1.8 3.80962 ! force: 0.375077 assign (residue 4 and name HD1#) (residue 7 and name HN) 0.0 1.8 4.74928 ! force: 0.0996704 assign (residue 5 and name HN) (residue 7 and name HN) 0.0 1.8 4.35378 ! force: 0.549991 assign (residue 5 and name HB#) (residue 7 and name HN) 0.0 1.8 4.80755 ! force: 0.714425 assign (residue 3 and name HD11) (residue 7 and name HB11) 0.0 1.8 4.84088 ! force: 0.0285643 assign (residue 4 and name HA) (residue 7 and name HB11) 0.0 1.8 4.87879 ! force: 0.0905161 assign (residue 4 and name HD1#) (residue 7 and name HB11) 0.0 1.8 4.62954 ! force: 0.0187941 assign (residue 4 and name HD2#) (residue 7 and name HB11) 0.0 1.8 4.52472 ! force: 0.0292148 assign (residue 3 and name HD11) (residue 7 and name HB12) 0.0 1.8 4.58881 ! force: 0.0255006 assign (residue 4 and name HA) (residue 7 and name HB12) 0.0 1.8 3.59251 ! force: 0.125998 assign (residue 4 and name HG) (residue 7 and name HB12) 0.0 1.8 4.36457 ! force: 0.0181201 assign (residue 4 and name HD1#) (residue 7 and name HB12) 0.0 1.8 3.45216 ! force: 0.037768 assign (residue 3 and name HG12) (residue 7 and name HG11) 0.0 1.8 4.61382 ! force: 0.0283751 assign (residue 3 and name HD12) (residue 7 and name HG11) 0.0 1.8 4.37031 ! force: 0.16548 assign (residue 3 and name HE1) (residue 7 and name HG11) 0.0 1.8 4.33757 ! force: 0.158749 assign (residue 4 and name HN) (residue 7 and name HG11) 0.0 1.8 4.32319 ! force: 0.130791 assign (residue 4 and name HA) (residue 7 and name HG11) 0.0 1.8 3.69491 ! force: 0.121652 assign (residue 4 and name HG) (residue 7 and name HG11) 0.0 1.8 4.64636 ! force: 0.045857 assign (residue 4 and name HD1#) (residue 7 and name HG11) 0.0 1.8 3.50076 ! force: 0.013201 assign (residue 4 and name HD2#) (residue 7 and name HG11) 0.0 1.8 4.46913 ! force: 0.0259908 assign (residue 5 and name HN) (residue 7 and name HG11) 0.0 1.8 4.98975 ! force: 0.193798 assign (residue 3 and name HB2#) (residue 7 and name HG12) 0.0 1.8 3.77193 ! force: 0.0413929 assign (residue 3 and name HG12) (residue 7 and name HG12) 0.0 1.8 3.98676 ! force: 0.038924 assign (residue 3 and name HD12) (residue 7 and name HG12) 0.0 1.8 4.90568 ! force: 0.231298 assign (residue 3 and name HE1) (residue 7 and name HG12) 0.0 1.8 4.6864 ! force: 0.270962 assign (residue 4 and name HA) (residue 7 and name HG12) 0.0 1.8 4.44227 ! force: 0.179355 assign (residue 4 and name HD1#) (residue 7 and name HG12) 0.0 1.8 4.07761 ! force: 0.0392317 assign (residue 3 and name HB2#) (residue 7 and name HD11) 0.0 1.8 4.63602 ! force: 0.0543346 assign (residue 3 and name HD12) (residue 7 and name HD11) 0.0 1.8 4.52315 ! force: 0.0401741 assign (residue 3 and name HE1) (residue 7 and name HD11) 0.0 1.8 4.10716 ! force: 0.0896888 assign (residue 4 and name HA) (residue 7 and name HD11) 0.0 1.8 3.73375 ! force: 0.0671169 assign (residue 3 and name HG12) (residue 7 and name HD12) 0.0 1.8 4.34655 ! force: 0.0131787 assign (residue 3 and name HD11) (residue 7 and name HD12) 0.0 1.8 4.03972 ! force: 0.0235361 assign (residue 3 and name HE1) (residue 7 and name HD12) 0.0 1.8 4.01483 ! force: 0.0749066 assign (residue 4 and name HN) (residue 7 and name HD12) 0.0 1.8 4.64292 ! force: 0.0844714 assign (residue 4 and name HA) (residue 7 and name HD12) 0.0 1.8 2.89043 ! force: 0.112558 assign (residue 4 and name HG) (residue 7 and name HD12) 0.0 1.8 4.83618 ! force: 0.0158976 assign (residue 4 and name HD1#) (residue 7 and name HD12) 0.0 1.8 2.90915 ! force: 0.0358895 assign (residue 5 and name HN) (residue 7 and name HD12) 0.0 1.8 4.53795 ! force: 0.152214 assign (residue 3 and name HG11) (residue 7 and name HE1) 0.0 1.8 4.88006 ! force: 0.435961 assign (residue 3 and name HG12) (residue 7 and name HE1) 0.0 1.8 4.42729 ! force: 0.0801178 assign (residue 3 and name HD11) (residue 7 and name HE1) 0.0 1.8 3.97553 ! force: 0.212077 assign (residue 3 and name HD12) (residue 7 and name HE1) 0.0 1.8 4.14801 ! force: 0.352562 assign (residue 3 and name HE1) (residue 7 and name HE1) 0.0 1.8 2.43312 ! force: 0.227939 assign (residue 4 and name HA) (residue 7 and name HE1) 0.0 1.8 4.81974 ! force: 0.42508 assign (residue 4 and name HD1#) (residue 7 and name HE1) 0.0 1.8 3.74854 ! force: 0.153621 assign (residue 4 and name HA) (residue 8 and name HN) 0.0 1.8 4.3448 ! force: 0.337478 assign (residue 4 and name HD1#) (residue 8 and name HN) 0.0 1.8 4.06651 ! force: 0.185959 assign (residue 5 and name HN) (residue 8 and name HN) 0.0 1.8 4.94228 ! force: 0.0287844 assign (residue 5 and name HA) (residue 8 and name HN) 0.0 1.8 4.25547 ! force: 0.730799 assign (residue 5 and name HB#) (residue 8 and name HN) 0.0 1.8 4.89019 ! force: 0.530103 assign (residue 6 and name HN) (residue 8 and name HN) 0.0 1.8 4.10297 ! force: 0.150568 assign (residue 6 and name HA) (residue 8 and name HN) 0.0 1.8 4.25187 ! force: 0.258455 assign (residue 6 and name HB2) (residue 8 and name HN) 0.0 1.8 4.87161 ! force: 0.435662 assign (residue 5 and name HA) (residue 8 and name HB1) 0.0 1.8 4.19799 ! force: 0.253843 assign (residue 5 and name HB#) (residue 8 and name HB1) 0.0 1.8 4.94106 ! force: 0.239909 assign (residue 4 and name HG) (residue 8 and name HB2) 0.0 1.8 4.40825 ! force: 0.0275435 assign (residue 4 and name HD1#) (residue 8 and name HB2) 0.0 1.8 3.59598 ! force: 0.0287196 assign (residue 5 and name HA) (residue 8 and name HB2) 0.0 1.8 3.86125 ! force: 0.205507 assign (residue 6 and name HN) (residue 8 and name HB2) 0.0 1.8 4.90602 ! force: 0.148308 assign (residue 4 and name HD1#) (residue 8 and name HG) 0.0 1.8 4.65382 ! force: 0.0239553 assign (residue 4 and name HD2#) (residue 8 and name HD1#) 0.0 1.8 4.5868 ! force: 0.0232379 assign (residue 4 and name HD2#) (residue 8 and name HD2#) 0.0 1.8 4.95925 ! force: 0.0136411 assign (residue 5 and name HA) (residue 8 and name HD2#) 0.0 1.8 3.85328 ! force: 0.32391 assign (residue 5 and name HB#) (residue 8 and name HD2#) 0.0 1.8 4.56774 ! force: 0.279656 assign (residue 5 and name HD2) (residue 8 and name HD2#) 0.0 1.8 4.81454 ! force: 0.217052 assign (residue 5 and name HA) (residue 9 and name HN) 0.0 1.8 4.80348 ! force: 0.753424 assign (residue 6 and name HA) (residue 9 and name HN) 0.0 1.8 3.72288 ! force: 0.275237 assign (residue 7 and name HN) (residue 9 and name HN) 0.0 1.8 4.67983 ! force: 0.687182 assign (residue 7 and name HB2#) (residue 9 and name HN) 0.0 1.8 4.0146 ! force: 0.25819 assign (residue 6 and name HA) (residue 9 and name HB1) 0.0 1.8 4.70238 ! force: 0.0979167 assign (residue 6 and name HA) (residue 9 and name HB2) 0.0 1.8 3.56591 ! force: 0.17429 assign (residue 6 and name HB1) (residue 9 and name HB2) 0.0 1.8 4.60023 ! force: 0.0290673 assign (residue 5 and name HE1) (residue 9 and name HG#) 0.0 1.8 4.97258 ! force: 0.10596 assign (residue 6 and name HA) (residue 9 and name HG#) 0.0 1.8 4.4043 ! force: 0.115502 assign (residue 6 and name HA) (residue 10 and name HN) 0.0 1.8 4.46271 ! force: 0.390163 assign (residue 7 and name HB2#) (residue 10 and name HN) 0.0 1.8 3.51631 ! force: 0.361723 assign (residue 8 and name HN) (residue 10 and name HN) 0.0 1.8 4.81379 ! force: 0.731944 assign (residue 8 and name HA) (residue 10 and name HN) 0.0 1.8 4.96923 ! force: 0.297067 assign (residue 7 and name HB2#) (residue 10 and name HA) 0.0 1.8 4.69445 ! force: 0.131521 assign (residue 7 and name HB2#) (residue 10 and name HB1) 0.0 1.8 3.10298 ! force: 0.282374 assign (residue 7 and name HB2#) (residue 10 and name HB2) 0.0 1.8 3.45607 ! force: 0.282103 assign (residue 7 and name HB2#) (residue 11 and name HN) 0.0 1.8 4.03733 ! force: 0.182677 assign (residue 8 and name HA) (residue 11 and name HN) 0.0 1.8 4.63474 ! force: 0.142334 assign (residue 9 and name HN) (residue 11 and name HN) 0.0 1.8 3.90865 ! force: 0.191945 assign (residue 9 and name HA) (residue 11 and name HN) 0.0 1.8 4.79091 ! force: 0.159086 assign (residue 9 and name HB2) (residue 11 and name HN) 0.0 1.8 4.9492 ! force: 0.256104 assign (residue 7 and name HB2#) (residue 11 and name HB1) 0.0 1.8 4.84102 ! force: 0.243607 assign (residue 8 and name HA) (residue 11 and name HB1) 0.0 1.8 4.44427 ! force: 0.171458 assign (residue 7 and name HB2#) (residue 11 and name HB2) 0.0 1.8 3.99366 ! force: 0.126837 assign (residue 8 and name HA) (residue 11 and name HB2) 0.0 1.8 4.44611 ! force: 0.0610399 assign (residue 9 and name HN) (residue 12 and name HN1) 0.0 1.8 4.96007 ! force: 0.450437
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