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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515015 |
2ldc   |
17658 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! File: p613c_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 2.97383 ! force: 0.393711 assign (residue 1 and name HN) (residue 1 and name HB#) 0.0 1.8 2.6294 ! force: 0.413454 assign (residue 1 and name HA) (residue 1 and name HB#) 0.0 1.8 2.57594 ! force: 0.316541 assign (residue 1 and name HN) (residue 1 and name HD2) 0.0 1.8 4.72369 ! force: 0.162357 assign (residue 1 and name HA) (residue 1 and name HD2) 0.0 1.8 4.09519 ! force: 0.69108 assign (residue 1 and name HB#) (residue 1 and name HD2) 0.0 1.8 2.78873 ! force: 0.416085 assign (residue 1 and name HA) (residue 1 and name HE1) 0.0 1.8 4.82976 ! force: 0.15644 assign (residue 1 and name HB#) (residue 1 and name HE1) 0.0 1.8 4.56077 ! force: 0.0833767 assign (residue 1 and name HD2) (residue 1 and name HE1) 0.0 1.8 4.34764 ! force: 0.506276 assign (residue 2 and name HN) (residue 2 and name HB11) 0.0 1.8 2.59353 ! force: 0.0885305 assign (residue 2 and name HN) (residue 2 and name HB12) 0.0 1.8 2.60199 ! force: 0.152605 assign (residue 2 and name HB11) (residue 2 and name HB12) 0.0 1.8 1.84895 ! force: 0.0160603 assign (residue 2 and name HN) (residue 2 and name HB2#) 0.0 1.8 2.79336 ! force: 0.693893 assign (residue 2 and name HB11) (residue 2 and name HB2#) 0.0 1.8 3.25554 ! force: 0.0845947 assign (residue 2 and name HB12) (residue 2 and name HB2#) 0.0 1.8 2.30941 ! force: 0.133723 assign (residue 2 and name HN) (residue 2 and name HG11) 0.0 1.8 3.0782 ! force: 0.421129 assign (residue 2 and name HB11) (residue 2 and name HG11) 0.0 1.8 2.67016 ! force: 0.0392474 assign (residue 2 and name HB12) (residue 2 and name HG11) 0.0 1.8 2.40295 ! force: 0.110796 assign (residue 2 and name HB2#) (residue 2 and name HG11) 0.0 1.8 2.94908 ! force: 0.141718 assign (residue 2 and name HN) (residue 2 and name HG12) 0.0 1.8 3.6727 ! force: 0.0336231 assign (residue 2 and name HB12) (residue 2 and name HG12) 0.0 1.8 2.70263 ! force: 0.0154468 assign (residue 2 and name HB2#) (residue 2 and name HG12) 0.0 1.8 2.41342 ! force: 0.0870706 assign (residue 2 and name HG11) (residue 2 and name HG12) 0.0 1.8 1.85664 ! force: 0.0282994 assign (residue 2 and name HN) (residue 2 and name HD11) 0.0 1.8 4.09998 ! force: 0.0361086 assign (residue 2 and name HB12) (residue 2 and name HD11) 0.0 1.8 3.76789 ! force: 0.0158788 assign (residue 2 and name HB2#) (residue 2 and name HD11) 0.0 1.8 3.76498 ! force: 0.0904122 assign (residue 2 and name HG11) (residue 2 and name HD11) 0.0 1.8 3.10323 ! force: 0.0294606 assign (residue 2 and name HB2#) (residue 2 and name HD12) 0.0 1.8 3.54513 ! force: 0.10933 assign (residue 2 and name HG11) (residue 2 and name HD12) 0.0 1.8 2.7219 ! force: 0.173452 assign (residue 2 and name HG12) (residue 2 and name HD12) 0.0 1.8 3.09562 ! force: 0.0213841 assign (residue 2 and name HD11) (residue 2 and name HD12) 0.0 1.8 1.84327 ! force: 0.0217107 assign (residue 2 and name HB11) (residue 2 and name HE1) 0.0 1.8 4.25794 ! force: 0.0323604 assign (residue 2 and name HB12) (residue 2 and name HE1) 0.0 1.8 4.02356 ! force: 0.0534088 assign (residue 2 and name HG11) (residue 2 and name HE1) 0.0 1.8 3.13054 ! force: 0.397236 assign (residue 2 and name HG12) (residue 2 and name HE1) 0.0 1.8 3.17766 ! force: 0.117173 assign (residue 2 and name HD11) (residue 2 and name HE1) 0.0 1.8 2.97888 ! force: 0.121402 assign (residue 2 and name HD12) (residue 2 and name HE1) 0.0 1.8 2.99681 ! force: 0.153665 assign (residue 3 and name HN) (residue 3 and name HA) 0.0 1.8 2.91509 ! force: 0.530307 assign (residue 3 and name HN) (residue 3 and name HB) 0.0 1.8 3.05074 ! force: 0.0761429 assign (residue 3 and name HA) (residue 3 and name HB) 0.0 1.8 3.03386 ! force: 0.261353 assign (residue 3 and name HN) (residue 3 and name HG11) 0.0 1.8 2.75301 ! force: 0.245381 assign (residue 3 and name HA) (residue 3 and name HG11) 0.0 1.8 2.97576 ! force: 0.442347 assign (residue 3 and name HB) (residue 3 and name HG11) 0.0 1.8 2.59088 ! force: 0.131413 assign (residue 3 and name HN) (residue 3 and name HG12) 0.0 1.8 2.56952 ! force: 0.0526473 assign (residue 3 and name HA) (residue 3 and name HG12) 0.0 1.8 3.86145 ! force: 0.167663 assign (residue 3 and name HB) (residue 3 and name HG12) 0.0 1.8 2.6183 ! force: 0.0388257 assign (residue 3 and name HG11) (residue 3 and name HG12) 0.0 1.8 1.851 ! force: 0.042691 assign (residue 3 and name HN) (residue 3 and name HG2#) 0.0 1.8 3.81933 ! force: 0.151393 assign (residue 3 and name HA) (residue 3 and name HG2#) 0.0 1.8 2.54794 ! force: 0.260663 assign (residue 3 and name HB) (residue 3 and name HG2#) 0.0 1.8 2.18075 ! force: 0.0848953 assign (residue 3 and name HG11) (residue 3 and name HG2#) 0.0 1.8 2.66559 ! force: 0.129748 assign (residue 3 and name HG12) (residue 3 and name HG2#) 0.0 1.8 3.32566 ! force: 0.0758892 assign (residue 3 and name HN) (residue 3 and name HD1#) 0.0 1.8 2.43012 ! force: 0.151393 assign (residue 3 and name HA) (residue 3 and name HD1#) 0.0 1.8 3.49659 ! force: 0.260663 assign (residue 3 and name HB) (residue 3 and name HD1#) 0.0 1.8 3.44935 ! force: 0.0848953 assign (residue 3 and name HG11) (residue 3 and name HD1#) 0.0 1.8 2.20283 ! force: 0.129748 assign (residue 3 and name HG12) (residue 3 and name HD1#) 0.0 1.8 2.2276 ! force: 0.0758892 assign (residue 4 and name HN) (residue 4 and name HA) 0.0 1.8 2.89939 ! force: 0.138214 assign (residue 4 and name HN) (residue 4 and name HB1) 0.0 1.8 2.64827 ! force: 0.0645561 assign (residue 4 and name HA) (residue 4 and name HB1) 0.0 1.8 3.131 ! force: 0.0574094 assign (residue 4 and name HN) (residue 4 and name HB2) 0.0 1.8 2.47739 ! force: 0.101597 assign (residue 4 and name HA) (residue 4 and name HB2) 0.0 1.8 2.60569 ! force: 0.0978608 assign (residue 4 and name HB1) (residue 4 and name HB2) 0.0 1.8 1.84676 ! force: 0.0191728 assign (residue 4 and name HN) (residue 4 and name HG) 0.0 1.8 3.32741 ! force: 0.0645561 assign (residue 4 and name HA) (residue 4 and name HG) 0.0 1.8 2.65362 ! force: 0.0574094 assign (residue 4 and name HB2) (residue 4 and name HG) 0.0 1.8 3.09528 ! force: 0.0191728 assign (residue 4 and name HN) (residue 4 and name HD1#) 0.0 1.8 3.82025 ! force: 0.0359497 assign (residue 4 and name HA) (residue 4 and name HD1#) 0.0 1.8 3.79199 ! force: 0.0560331 assign (residue 4 and name HB1) (residue 4 and name HD1#) 0.0 1.8 2.59721 ! force: 0.0280604 assign (residue 4 and name HB2) (residue 4 and name HD1#) 0.0 1.8 2.30352 ! force: 0.0410552 assign (residue 4 and name HG) (residue 4 and name HD1#) 0.0 1.8 2.19457 ! force: 0.0280604 assign (residue 4 and name HN) (residue 4 and name HD2#) 0.0 1.8 4.19419 ! force: 0.0895687 assign (residue 4 and name HA) (residue 4 and name HD2#) 0.0 1.8 3.36436 ! force: 0.0267692 assign (residue 4 and name HB1) (residue 4 and name HD2#) 0.0 1.8 2.38775 ! force: 0.0508625 assign (residue 4 and name HB2) (residue 4 and name HD2#) 0.0 1.8 3.27106 ! force: 0.0552991 assign (residue 4 and name HG) (residue 4 and name HD2#) 0.0 1.8 2.23689 ! force: 0.0508625 assign (residue 5 and name HN) (residue 5 and name HA) 0.0 1.8 2.94311 ! force: 0.418864 assign (residue 5 and name HN) (residue 5 and name HB1) 0.0 1.8 3.41392 ! force: 0.093085 assign (residue 5 and name HA) (residue 5 and name HB1) 0.0 1.8 2.92169 ! force: 0.449749 assign (residue 5 and name HN) (residue 5 and name HB2) 0.0 1.8 2.24846 ! force: 0.167973 assign (residue 5 and name HA) (residue 5 and name HB2) 0.0 1.8 3.01465 ! force: 0.631427 assign (residue 5 and name HB1) (residue 5 and name HB2) 0.0 1.8 1.88256 ! force: 0.105931 assign (residue 5 and name HN) (residue 5 and name HD2) 0.0 1.8 3.46426 ! force: 0.433618 assign (residue 5 and name HA) (residue 5 and name HD2) 0.0 1.8 3.93169 ! force: 0.670637 assign (residue 5 and name HB1) (residue 5 and name HD2) 0.0 1.8 3.94962 ! force: 0.385985 assign (residue 5 and name HB2) (residue 5 and name HD2) 0.0 1.8 2.99574 ! force: 0.597894 assign (residue 5 and name HA) (residue 5 and name HE1) 0.0 1.8 4.71796 ! force: 0.211294 assign (residue 5 and name HB1) (residue 5 and name HE1) 0.0 1.8 4.91715 ! force: 0.0923574 assign (residue 5 and name HD2) (residue 5 and name HE1) 0.0 1.8 4.34722 ! force: 0.498339 assign (residue 6 and name HN) (residue 6 and name HB1#) 0.0 1.8 2.81198 ! force: 0.0419668 assign (residue 6 and name HN) (residue 6 and name HB2#) 0.0 1.8 2.99342 ! force: 0.322689 assign (residue 6 and name HB1#) (residue 6 and name HB2#) 0.0 1.8 2.33001 ! force: 0.070698 assign (residue 6 and name HN) (residue 6 and name HD11) 0.0 1.8 4.64848 ! force: 0.0245658 assign (residue 6 and name HB1#) (residue 6 and name HD11) 0.0 1.8 3.19689 ! force: 0.0137026 assign (residue 6 and name HB2#) (residue 6 and name HD11) 0.0 1.8 2.95319 ! force: 0.0380706 assign (residue 6 and name HN) (residue 6 and name HD12) 0.0 1.8 3.66684 ! force: 0.0512114 assign (residue 6 and name HB2#) (residue 6 and name HD12) 0.0 1.8 4.60307 ! force: 0.0782065 assign (residue 6 and name HD11) (residue 6 and name HD12) 0.0 1.8 1.84843 ! force: 0.0149714 assign (residue 6 and name HB1#) (residue 6 and name HE1) 0.0 1.8 4.14085 ! force: 0.0913657 assign (residue 6 and name HB2#) (residue 6 and name HE1) 0.0 1.8 4.67622 ! force: 0.0696101 assign (residue 6 and name HD11) (residue 6 and name HE1) 0.0 1.8 2.76622 ! force: 0.10576 assign (residue 6 and name HD12) (residue 6 and name HE1) 0.0 1.8 2.90292 ! force: 0.10814 assign (residue 7 and name HN) (residue 7 and name HA) 0.0 1.8 2.94953 ! force: 0.283815 assign (residue 7 and name HN) (residue 7 and name HB1) 0.0 1.8 2.67627 ! force: 0.251228 assign (residue 7 and name HA) (residue 7 and name HB1) 0.0 1.8 3.14079 ! force: 0.200276 assign (residue 7 and name HN) (residue 7 and name HB2) 0.0 1.8 2.45734 ! force: 0.139115 assign (residue 7 and name HA) (residue 7 and name HB2) 0.0 1.8 2.72655 ! force: 0.0866245 assign (residue 7 and name HB1) (residue 7 and name HB2) 0.0 1.8 1.85304 ! force: 0.0644618 assign (residue 7 and name HN) (residue 7 and name HG) 0.0 1.8 4.62234 ! force: 0.134223 assign (residue 7 and name HA) (residue 7 and name HG) 0.0 1.8 3.42352 ! force: 0.0843265 assign (residue 7 and name HB1) (residue 7 and name HG) 0.0 1.8 2.7401 ! force: 0.0623847 assign (residue 7 and name HB2) (residue 7 and name HG) 0.0 1.8 2.52837 ! force: 0.0119303 assign (residue 7 and name HN) (residue 7 and name HD1#) 0.0 1.8 4.46894 ! force: 0.057674 assign (residue 7 and name HA) (residue 7 and name HD1#) 0.0 1.8 2.59389 ! force: 0.111351 assign (residue 7 and name HB1) (residue 7 and name HD1#) 0.0 1.8 3.2754 ! force: 0.164757 assign (residue 7 and name HB2) (residue 7 and name HD1#) 0.0 1.8 2.87158 ! force: 0.0497233 assign (residue 7 and name HG) (residue 7 and name HD1#) 0.0 1.8 2.20286 ! force: 0.0478053 assign (residue 7 and name HN) (residue 7 and name HD2#) 0.0 1.8 3.4585 ! force: 0.0425716 assign (residue 7 and name HA) (residue 7 and name HD2#) 0.0 1.8 3.24427 ! force: 0.0879446 assign (residue 7 and name HB1) (residue 7 and name HD2#) 0.0 1.8 2.10422 ! force: 0.135407 assign (residue 7 and name HB2) (residue 7 and name HD2#) 0.0 1.8 2.66583 ! force: 0.0392573 assign (residue 7 and name HG) (residue 7 and name HD2#) 0.0 1.8 2.21178 ! force: 0.0377445 assign (residue 7 and name HD1#) (residue 7 and name HD2#) 0.0 1.8 2.09325 ! force: 0.016227 assign (residue 8 and name HN) (residue 8 and name HA) 0.0 1.8 2.95899 ! force: 0.625037 assign (residue 8 and name HN) (residue 8 and name HB1) 0.0 1.8 3.51344 ! force: 0.03965 assign (residue 8 and name HA) (residue 8 and name HB1) 0.0 1.8 2.74098 ! force: 0.267551 assign (residue 8 and name HN) (residue 8 and name HB2) 0.0 1.8 2.5513 ! force: 0.191905 assign (residue 8 and name HA) (residue 8 and name HB2) 0.0 1.8 3.10998 ! force: 0.118316 assign (residue 8 and name HB1) (residue 8 and name HB2) 0.0 1.8 1.84678 ! force: 0.0238736 assign (residue 8 and name HN) (residue 8 and name HG) 0.0 1.8 2.65577 ! force: 0.308217 assign (residue 8 and name HA) (residue 8 and name HG) 0.0 1.8 3.05909 ! force: 0.246038 assign (residue 8 and name HB1) (residue 8 and name HG) 0.0 1.8 3.11718 ! force: 0.0408287 assign (residue 8 and name HB2) (residue 8 and name HG) 0.0 1.8 2.69066 ! force: 0.0102586 assign (residue 8 and name HN) (residue 8 and name HD1#) 0.0 1.8 3.75224 ! force: 0.0781334 assign (residue 8 and name HA) (residue 8 and name HD1#) 0.0 1.8 2.53234 ! force: 0.216132 assign (residue 8 and name HB1) (residue 8 and name HD1#) 0.0 1.8 2.49311 ! force: 0.0525791 assign (residue 8 and name HB2) (residue 8 and name HD1#) 0.0 1.8 2.8415 ! force: 0.036579 assign (residue 8 and name HG) (residue 8 and name HD1#) 0.0 1.8 2.21655 ! force: 0.057019 assign (residue 8 and name HN) (residue 8 and name HD2#) 0.0 1.8 2.68565 ! force: 0.211316 assign (residue 8 and name HA) (residue 8 and name HD2#) 0.0 1.8 2.87785 ! force: 0.444165 assign (residue 8 and name HB1) (residue 8 and name HD2#) 0.0 1.8 2.27694 ! force: 0.104242 assign (residue 8 and name HB2) (residue 8 and name HD2#) 0.0 1.8 2.91729 ! force: 0.0736424 assign (residue 8 and name HG) (residue 8 and name HD2#) 0.0 1.8 2.21744 ! force: 0.102683 assign (residue 8 and name HD1#) (residue 8 and name HD2#) 0.0 1.8 2.15425 ! force: 0.0158779 assign (residue 9 and name HN) (residue 9 and name HA) 0.0 1.8 2.9561 ! force: 0.549446 assign (residue 9 and name HN) (residue 9 and name HB1) 0.0 1.8 3.69322 ! force: 0.026851 assign (residue 9 and name HA) (residue 9 and name HB1) 0.0 1.8 2.65104 ! force: 0.258199 assign (residue 9 and name HN) (residue 9 and name HB2) 0.0 1.8 2.68495 ! force: 0.456782 assign (residue 9 and name HA) (residue 9 and name HB2) 0.0 1.8 3.11924 ! force: 0.222014 assign (residue 9 and name HB1) (residue 9 and name HB2) 0.0 1.8 1.8602 ! force: 0.0564348 assign (residue 9 and name HN) (residue 9 and name HG#) 0.0 1.8 2.72862 ! force: 0.907685 assign (residue 9 and name HA) (residue 9 and name HG#) 0.0 1.8 2.79726 ! force: 0.889531 assign (residue 9 and name HB1) (residue 9 and name HG#) 0.0 1.8 2.47098 ! force: 0.272128 assign (residue 9 and name HB2) (residue 9 and name HG#) 0.0 1.8 2.42848 ! force: 0.477027 assign (residue 9 and name HN) (residue 9 and name HE21) 0.0 1.8 4.7167 ! force: 0.403642 assign (residue 9 and name HA) (residue 9 and name HE21) 0.0 1.8 4.72705 ! force: 0.525642 assign (residue 9 and name HB1) (residue 9 and name HE21) 0.0 1.8 4.02369 ! force: 0.0888005 assign (residue 9 and name HB2) (residue 9 and name HE21) 0.0 1.8 4.13931 ! force: 0.241798 assign (residue 9 and name HG#) (residue 9 and name HE21) 0.0 1.8 3.14768 ! force: 0.607731 assign (residue 9 and name HA) (residue 9 and name HE22) 0.0 1.8 4.71931 ! force: 0.291269 assign (residue 9 and name HB1) (residue 9 and name HE22) 0.0 1.8 4.39631 ! force: 0.174885 assign (residue 9 and name HB2) (residue 9 and name HE22) 0.0 1.8 4.68909 ! force: 0.0542962 assign (residue 9 and name HG#) (residue 9 and name HE22) 0.0 1.8 3.33223 ! force: 0.524294 assign (residue 9 and name HE21) (residue 9 and name HE22) 0.0 1.8 1.82742 ! force: 0.148881 assign (residue 10 and name HN) (residue 10 and name HA) 0.0 1.8 2.93075 ! force: 0.249863 assign (residue 10 and name HN) (residue 10 and name HB1) 0.0 1.8 2.72129 ! force: 0.390142 assign (residue 10 and name HA) (residue 10 and name HB1) 0.0 1.8 3.12431 ! force: 0.244787 assign (residue 10 and name HN) (residue 10 and name HB2) 0.0 1.8 2.65247 ! force: 0.38745 assign (residue 10 and name HA) (residue 10 and name HB2) 0.0 1.8 2.64136 ! force: 0.470262 assign (residue 10 and name HB1) (residue 10 and name HB2) 0.0 1.8 1.86001 ! force: 0.231189 assign (residue 11 and name HN) (residue 11 and name HA) 0.0 1.8 2.87782 ! force: 0.467016 assign (residue 11 and name HN) (residue 11 and name HB1) 0.0 1.8 3.28206 ! force: 0.262625 assign (residue 11 and name HA) (residue 11 and name HB1) 0.0 1.8 2.77841 ! force: 0.499772 assign (residue 11 and name HN) (residue 11 and name HB2) 0.0 1.8 3.24768 ! force: 0.289426 assign (residue 11 and name HA) (residue 11 and name HB2) 0.0 1.8 3.09016 ! force: 0.387771 assign (residue 11 and name HB1) (residue 11 and name HB2) 0.0 1.8 1.85875 ! force: 0.112354 assign (residue 12 and name HN1) (residue 12 and name HN2) 0.0 1.8 1.89077 ! force: 0.464905 ! File: p613c_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. assign (residue 2 and name HB2#) (residue 9 and name HE21) 0.0 1.8 4.97744 ! force: 0.305246 ! File: p613c_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 2.37889 ! force: 0.457669 assign (residue 0 and name HB#) (residue 1 and name HA) 0.0 1.8 3.88895 ! force: 0.194213 assign (residue 0 and name HB#) (residue 1 and name HB#) 0.0 1.8 3.82244 ! force: 0.0645206 assign (residue 0 and name HB#) (residue 1 and name HE1) 0.0 1.8 4.92247 ! force: 0.052282 assign (residue 1 and name HA) (residue 2 and name HN) 0.0 1.8 3.49125 ! force: 0.318729 assign (residue 1 and name HB#) (residue 2 and name HN) 0.0 1.8 3.42812 ! force: 0.407049 assign (residue 1 and name HD2) (residue 2 and name HN) 0.0 1.8 4.97141 ! force: 0.204269 assign (residue 1 and name HN) (residue 2 and name HB11) 0.0 1.8 4.45391 ! force: 0.0699008 assign (residue 1 and name HN) (residue 2 and name HB12) 0.0 1.8 4.56884 ! force: 0.162572 assign (residue 1 and name HN) (residue 2 and name HB2#) 0.0 1.8 4.17937 ! force: 0.500572 assign (residue 1 and name HA) (residue 2 and name HB2#) 0.0 1.8 4.50617 ! force: 0.132086 assign (residue 1 and name HB#) (residue 2 and name HB2#) 0.0 1.8 3.30394 ! force: 0.433985 assign (residue 1 and name HD2) (residue 2 and name HB2#) 0.0 1.8 3.68147 ! force: 0.630647 assign (residue 1 and name HN) (residue 2 and name HG11) 0.0 1.8 4.48943 ! force: 0.34579 assign (residue 2 and name HN) (residue 3 and name HN) 0.0 1.8 2.96734 ! force: 0.560132 assign (residue 2 and name HB11) (residue 3 and name HN) 0.0 1.8 2.38104 ! force: 0.0616499 assign (residue 2 and name HB12) (residue 3 and name HN) 0.0 1.8 3.85343 ! force: 0.0989258 assign (residue 2 and name HB2#) (residue 3 and name HN) 0.0 1.8 3.76353 ! force: 0.134032 assign (residue 2 and name HG11) (residue 3 and name HN) 0.0 1.8 4.28274 ! force: 0.293893 assign (residue 2 and name HG12) (residue 3 and name HN) 0.0 1.8 3.69417 ! force: 0.0388486 assign (residue 2 and name HD11) (residue 3 and name HN) 0.0 1.8 3.44317 ! force: 0.0407949 assign (residue 2 and name HD12) (residue 3 and name HN) 0.0 1.8 2.9817 ! force: 0.0871267 assign (residue 2 and name HE1) (residue 3 and name HN) 0.0 1.8 3.24311 ! force: 0.428269 assign (residue 2 and name HB2#) (residue 3 and name HA) 0.0 1.8 4.79079 ! force: 0.0439425 assign (residue 2 and name HG11) (residue 3 and name HA) 0.0 1.8 4.1174 ! force: 0.506194 assign (residue 2 and name HD11) (residue 3 and name HA) 0.0 1.8 2.59682 ! force: 0.137835 assign (residue 2 and name HD12) (residue 3 and name HA) 0.0 1.8 2.94006 ! force: 0.374346 assign (residue 2 and name HE1) (residue 3 and name HA) 0.0 1.8 4.22638 ! force: 0.334692 assign (residue 2 and name HD11) (residue 3 and name HB) 0.0 1.8 4.53601 ! force: 0.0161713 assign (residue 2 and name HG11) (residue 3 and name HG11) 0.0 1.8 2.95878 ! force: 0.0230721 assign (residue 2 and name HG12) (residue 3 and name HG11) 0.0 1.8 4.54153 ! force: 0.027442 assign (residue 2 and name HD11) (residue 3 and name HG11) 0.0 1.8 4.77224 ! force: 0.0286639 assign (residue 2 and name HE1) (residue 3 and name HG11) 0.0 1.8 3.64323 ! force: 0.351796 assign (residue 2 and name HG11) (residue 3 and name HG12) 0.0 1.8 4.60071 ! force: 0.0433821 assign (residue 2 and name HD12) (residue 3 and name HG12) 0.0 1.8 4.37218 ! force: 0.0401202 assign (residue 2 and name HD11) (residue 3 and name HG2#) 0.0 1.8 4.64843 ! force: 0.0488135 assign (residue 2 and name HD12) (residue 3 and name HG2#) 0.0 1.8 4.94481 ! force: 0.0900807 assign (residue 2 and name HE1) (residue 3 and name HG2#) 0.0 1.8 3.80269 ! force: 0.146407 assign (residue 2 and name HN) (residue 3 and name HD1#) 0.0 1.8 3.17155 ! force: 0.158421 assign (residue 2 and name HB11) (residue 3 and name HD1#) 0.0 1.8 2.31248 ! force: 0.0353338 assign (residue 2 and name HB12) (residue 3 and name HD1#) 0.0 1.8 4.31184 ! force: 0.0616108 assign (residue 2 and name HG11) (residue 3 and name HD1#) 0.0 1.8 4.13252 ! force: 0.127032 assign (residue 2 and name HG12) (residue 3 and name HD1#) 0.0 1.8 4.10689 ! force: 0.046972 assign (residue 2 and name HD11) (residue 3 and name HD1#) 0.0 1.8 3.45878 ! force: 0.0488135 assign (residue 2 and name HD12) (residue 3 and name HD1#) 0.0 1.8 3.70151 ! force: 0.0900807 assign (residue 2 and name HE1) (residue 3 and name HD1#) 0.0 1.8 3.2429 ! force: 0.146407 assign (residue 3 and name HN) (residue 4 and name HN) 0.0 1.8 2.76362 ! force: 0.32654 assign (residue 3 and name HA) (residue 4 and name HN) 0.0 1.8 3.61883 ! force: 0.28036 assign (residue 3 and name HB) (residue 4 and name HN) 0.0 1.8 2.69706 ! force: 0.102403 assign (residue 3 and name HG11) (residue 4 and name HN) 0.0 1.8 4.68985 ! force: 0.019141 assign (residue 3 and name HG12) (residue 4 and name HN) 0.0 1.8 4.2106 ! force: 0.105853 assign (residue 3 and name HG2#) (residue 4 and name HN) 0.0 1.8 3.90958 ! force: 0.0610536 assign (residue 3 and name HD1#) (residue 4 and name HN) 0.0 1.8 2.84177 ! force: 0.0610536 assign (residue 3 and name HB) (residue 4 and name HA) 0.0 1.8 3.83212 ! force: 0.0120149 assign (residue 3 and name HG2#) (residue 4 and name HA) 0.0 1.8 4.29602 ! force: 0.0248534 assign (residue 3 and name HB) (residue 4 and name HB2) 0.0 1.8 4.57126 ! force: 0.0287877 assign (residue 3 and name HD1#) (residue 4 and name HB2) 0.0 1.8 4.69255 ! force: 0.0603565 assign (residue 3 and name HG12) (residue 4 and name HG) 0.0 1.8 4.97003 ! force: 0.0125606 assign (residue 4 and name HN) (residue 5 and name HN) 0.0 1.8 2.69733 ! force: 0.0300797 assign (residue 4 and name HA) (residue 5 and name HN) 0.0 1.8 3.62866 ! force: 0.193682 assign (residue 4 and name HB1) (residue 5 and name HN) 0.0 1.8 2.63335 ! force: 0.0874898 assign (residue 4 and name HB2) (residue 5 and name HN) 0.0 1.8 3.88196 ! force: 0.147303 assign (residue 4 and name HG) (residue 5 and name HN) 0.0 1.8 4.7272 ! force: 0.0874898 assign (residue 4 and name HD1#) (residue 5 and name HN) 0.0 1.8 2.57335 ! force: 0.0599256 assign (residue 4 and name HD2#) (residue 5 and name HN) 0.0 1.8 3.00742 ! force: 0.134168 assign (residue 4 and name HA) (residue 5 and name HA) 0.0 1.8 4.92095 ! force: 0.068871 assign (residue 4 and name HB1) (residue 5 and name HA) 0.0 1.8 4.21973 ! force: 0.0244755 assign (residue 4 and name HD2#) (residue 5 and name HA) 0.0 1.8 3.13505 ! force: 0.182601 assign (residue 4 and name HD2#) (residue 5 and name HB1) 0.0 1.8 4.87041 ! force: 0.0362336 assign (residue 4 and name HN) (residue 5 and name HB2) 0.0 1.8 4.72731 ! force: 0.133751 assign (residue 4 and name HB1) (residue 5 and name HB2) 0.0 1.8 4.06825 ! force: 0.0292068 assign (residue 4 and name HD1#) (residue 5 and name HB2) 0.0 1.8 3.09425 ! force: 0.105309 assign (residue 4 and name HD2#) (residue 5 and name HB2) 0.0 1.8 3.96952 ! force: 0.0793578 assign (residue 4 and name HB1) (residue 5 and name HD2) 0.0 1.8 4.70447 ! force: 0.0894283 assign (residue 4 and name HG) (residue 5 and name HD2) 0.0 1.8 4.89102 ! force: 0.0894283 assign (residue 4 and name HD1#) (residue 5 and name HD2) 0.0 1.8 3.93017 ! force: 0.109795 assign (residue 4 and name HD2#) (residue 5 and name HD2) 0.0 1.8 3.61414 ! force: 0.206791 assign (residue 5 and name HN) (residue 6 and name HN) 0.0 1.8 2.94351 ! force: 0.240581 assign (residue 5 and name HA) (residue 6 and name HN) 0.0 1.8 3.6851 ! force: 0.198011 assign (residue 5 and name HB1) (residue 6 and name HN) 0.0 1.8 3.00666 ! force: 0.195228 assign (residue 5 and name HB2) (residue 6 and name HN) 0.0 1.8 3.03192 ! force: 0.379838 assign (residue 5 and name HN) (residue 6 and name HB1#) 0.0 1.8 4.90175 ! force: 0.056092 assign (residue 5 and name HA) (residue 6 and name HB2#) 0.0 1.8 4.43245 ! force: 0.240469 assign (residue 5 and name HB1) (residue 6 and name HB2#) 0.0 1.8 3.3611 ! force: 0.421342 assign (residue 5 and name HB2) (residue 6 and name HB2#) 0.0 1.8 4.33498 ! force: 0.166664 assign (residue 6 and name HN) (residue 7 and name HN) 0.0 1.8 2.93594 ! force: 0.274497 assign (residue 6 and name HB1#) (residue 7 and name HN) 0.0 1.8 2.6707 ! force: 0.0957148 assign (residue 6 and name HB2#) (residue 7 and name HN) 0.0 1.8 3.53375 ! force: 0.287739 assign (residue 6 and name HD12) (residue 7 and name HN) 0.0 1.8 4.78408 ! force: 0.115367 assign (residue 6 and name HB1#) (residue 7 and name HA) 0.0 1.8 3.97269 ! force: 0.0130808 assign (residue 6 and name HB2#) (residue 7 and name HA) 0.0 1.8 4.5407 ! force: 0.0743944 assign (residue 6 and name HN) (residue 7 and name HB2) 0.0 1.8 4.75104 ! force: 0.041182 assign (residue 6 and name HB1#) (residue 7 and name HB2) 0.0 1.8 4.029 ! force: 0.0191172 assign (residue 7 and name HN) (residue 8 and name HN) 0.0 1.8 2.93037 ! force: 0.599741 assign (residue 7 and name HA) (residue 8 and name HN) 0.0 1.8 3.65233 ! force: 0.250349 assign (residue 7 and name HB1) (residue 8 and name HN) 0.0 1.8 2.79707 ! force: 0.363157 assign (residue 7 and name HB2) (residue 8 and name HN) 0.0 1.8 3.8456 ! force: 0.198575 assign (residue 7 and name HG) (residue 8 and name HN) 0.0 1.8 4.38594 ! force: 0.191111 assign (residue 7 and name HD1#) (residue 8 and name HN) 0.0 1.8 4.9442 ! force: 0.10038 assign (residue 7 and name HD2#) (residue 8 and name HN) 0.0 1.8 4.2015 ! force: 0.0818438 assign (residue 7 and name HA) (residue 8 and name HA) 0.0 1.8 4.95915 ! force: 0.0733103 assign (residue 7 and name HB1) (residue 8 and name HA) 0.0 1.8 4.14778 ! force: 0.497395 assign (residue 7 and name HG) (residue 8 and name HA) 0.0 1.8 4.38979 ! force: 0.118282 assign (residue 7 and name HD2#) (residue 8 and name HA) 0.0 1.8 4.60681 ! force: 0.216099 assign (residue 7 and name HN) (residue 8 and name HG) 0.0 1.8 4.19029 ! force: 0.188146 assign (residue 7 and name HB1) (residue 8 and name HG) 0.0 1.8 3.1506 ! force: 0.125599 assign (residue 7 and name HB2) (residue 8 and name HG) 0.0 1.8 4.30409 ! force: 0.0109797 assign (residue 7 and name HN) (residue 8 and name HD1#) 0.0 1.8 4.91313 ! force: 0.0439423 assign (residue 7 and name HB1) (residue 8 and name HD1#) 0.0 1.8 4.63423 ! force: 0.113884 assign (residue 7 and name HD2#) (residue 8 and name HD1#) 0.0 1.8 4.73577 ! force: 0.0121967 assign (residue 7 and name HN) (residue 8 and name HD2#) 0.0 1.8 4.20548 ! force: 0.0363422 assign (residue 7 and name HB1) (residue 8 and name HD2#) 0.0 1.8 3.16283 ! force: 0.167354 assign (residue 7 and name HB2) (residue 8 and name HD2#) 0.0 1.8 4.42578 ! force: 0.0768613 assign (residue 7 and name HG) (residue 8 and name HD2#) 0.0 1.8 4.25444 ! force: 0.0737956 assign (residue 7 and name HD2#) (residue 8 and name HD2#) 0.0 1.8 3.4396 ! force: 0.0186013 assign (residue 8 and name HN) (residue 9 and name HN) 0.0 1.8 2.66329 ! force: 0.131413 assign (residue 8 and name HA) (residue 9 and name HN) 0.0 1.8 3.60646 ! force: 0.529725 assign (residue 8 and name HB1) (residue 9 and name HN) 0.0 1.8 3.14723 ! force: 0.105979 assign (residue 8 and name HB2) (residue 9 and name HN) 0.0 1.8 2.75993 ! force: 0.149508 assign (residue 8 and name HG) (residue 9 and name HN) 0.0 1.8 4.35302 ! force: 0.278607 assign (residue 8 and name HD1#) (residue 9 and name HN) 0.0 1.8 4.34131 ! force: 0.0316365 assign (residue 8 and name HD2#) (residue 9 and name HN) 0.0 1.8 4.68532 ! force: 0.136221 assign (residue 8 and name HB1) (residue 9 and name HA) 0.0 1.8 4.2734 ! force: 0.124595 assign (residue 8 and name HB2) (residue 9 and name HA) 0.0 1.8 4.25598 ! force: 0.0328888 assign (residue 8 and name HN) (residue 9 and name HB2) 0.0 1.8 4.8435 ! force: 0.204748 assign (residue 8 and name HN) (residue 9 and name HG#) 0.0 1.8 4.21025 ! force: 0.528548 assign (residue 8 and name HB1) (residue 9 and name HG#) 0.0 1.8 3.53597 ! force: 0.109616 assign (residue 8 and name HB2) (residue 9 and name HG#) 0.0 1.8 3.12771 ! force: 0.137798 assign (residue 8 and name HD1#) (residue 9 and name HG#) 0.0 1.8 4.13907 ! force: 0.0283558 assign (residue 9 and name HN) (residue 10 and name HN) 0.0 1.8 2.76451 ! force: 0.492829 assign (residue 9 and name HA) (residue 10 and name HN) 0.0 1.8 3.60765 ! force: 0.18701 assign (residue 9 and name HB1) (residue 10 and name HN) 0.0 1.8 3.88644 ! force: 0.0468739 assign (residue 9 and name HB2) (residue 10 and name HN) 0.0 1.8 2.92969 ! force: 0.225758 assign (residue 9 and name HG#) (residue 10 and name HN) 0.0 1.8 4.13103 ! force: 0.115119 assign (residue 9 and name HA) (residue 10 and name HA) 0.0 1.8 4.94468 ! force: 0.288368 assign (residue 9 and name HB1) (residue 10 and name HA) 0.0 1.8 4.70337 ! force: 0.0140929 assign (residue 9 and name HB2) (residue 10 and name HA) 0.0 1.8 4.43244 ! force: 0.131803 assign (residue 9 and name HN) (residue 10 and name HB1) 0.0 1.8 4.91366 ! force: 0.110763 assign (residue 9 and name HN) (residue 10 and name HB2) 0.0 1.8 4.81175 ! force: 0.131718 assign (residue 9 and name HB2) (residue 10 and name HB2) 0.0 1.8 4.35432 ! force: 0.0817255 assign (residue 10 and name HN) (residue 11 and name HN) 0.0 1.8 2.82227 ! force: 0.357101 assign (residue 10 and name HA) (residue 11 and name HN) 0.0 1.8 3.63603 ! force: 0.192916 assign (residue 10 and name HB1) (residue 11 and name HN) 0.0 1.8 3.12277 ! force: 0.516734 assign (residue 10 and name HB2) (residue 11 and name HN) 0.0 1.8 3.14205 ! force: 0.53318 assign (residue 10 and name HA) (residue 11 and name HA) 0.0 1.8 4.98132 ! force: 0.542853 assign (residue 10 and name HB1) (residue 11 and name HA) 0.0 1.8 4.20901 ! force: 0.335631 assign (residue 10 and name HB1) (residue 11 and name HB1) 0.0 1.8 4.24903 ! force: 0.205008 assign (residue 10 and name HN) (residue 11 and name HB2) 0.0 1.8 4.64749 ! force: 0.124397 assign (residue 10 and name HB1) (residue 11 and name HB2) 0.0 1.8 4.68486 ! force: 0.368665 assign (residue 11 and name HN) (residue 12 and name HN1) 0.0 1.8 2.91237 ! force: 0.572254 assign (residue 11 and name HA) (residue 12 and name HN1) 0.0 1.8 3.59233 ! force: 0.54984 assign (residue 11 and name HB1) (residue 12 and name HN1) 0.0 1.8 3.91915 ! force: 0.719693 assign (residue 11 and name HB2) (residue 12 and name HN1) 0.0 1.8 3.65112 ! force: 0.463791 assign (residue 11 and name HN) (residue 12 and name HN2) 0.0 1.8 4.3174 ! force: 0.11282 assign (residue 11 and name HA) (residue 12 and name HN2) 0.0 1.8 4.15873 ! force: 0.619549 assign (residue 11 and name HB1) (residue 12 and name HN2) 0.0 1.8 4.07793 ! force: 0.729029 assign (residue 11 and name HB2) (residue 12 and name HN2) 0.0 1.8 3.94481 ! force: 0.42717 ! File: p613c_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 3.39082 ! force: 0.434883 assign (residue 0 and name HB#) (residue 3 and name HN) 0.0 1.8 3.87859 ! force: 0.170512 assign (residue 1 and name HN) (residue 3 and name HN) 0.0 1.8 4.2726 ! force: 0.433576 assign (residue 1 and name HA) (residue 3 and name HN) 0.0 1.8 3.90545 ! force: 0.197721 assign (residue 1 and name HB#) (residue 3 and name HN) 0.0 1.8 4.90926 ! force: 0.279219 assign (residue 1 and name HA) (residue 3 and name HB) 0.0 1.8 4.79486 ! force: 0.0931875 assign (residue 0 and name HB#) (residue 3 and name HG11) 0.0 1.8 4.10984 ! force: 0.261949 assign (residue 0 and name HB#) (residue 3 and name HG12) 0.0 1.8 4.54037 ! force: 0.0779634 assign (residue 1 and name HN) (residue 3 and name HG12) 0.0 1.8 4.41045 ! force: 0.0386855 assign (residue 1 and name HA) (residue 3 and name HG12) 0.0 1.8 4.35001 ! force: 0.20108 assign (residue 0 and name HB#) (residue 3 and name HD1#) 0.0 1.8 2.87991 ! force: 0.157362 assign (residue 1 and name HN) (residue 3 and name HD1#) 0.0 1.8 3.49699 ! force: 0.13915 assign (residue 1 and name HA) (residue 3 and name HD1#) 0.0 1.8 3.82917 ! force: 0.195434 assign (residue 1 and name HB#) (residue 3 and name HD1#) 0.0 1.8 4.761 ! force: 0.0286757 assign (residue 1 and name HA) (residue 4 and name HN) 0.0 1.8 3.42529 ! force: 0.378227 assign (residue 1 and name HB#) (residue 4 and name HN) 0.0 1.8 4.51676 ! force: 0.0645372 assign (residue 2 and name HN) (residue 4 and name HN) 0.0 1.8 4.20096 ! force: 0.0934954 assign (residue 2 and name HB2#) (residue 4 and name HN) 0.0 1.8 4.14106 ! force: 0.279032 assign (residue 1 and name HA) (residue 4 and name HB1) 0.0 1.8 3.97772 ! force: 0.116429 assign (residue 1 and name HB#) (residue 4 and name HB1) 0.0 1.8 2.8779 ! force: 0.033843 assign (residue 1 and name HD2) (residue 4 and name HB1) 0.0 1.8 4.75179 ! force: 0.104219 assign (residue 1 and name HE1) (residue 4 and name HB1) 0.0 1.8 4.7369 ! force: 0.0121649 assign (residue 2 and name HB2#) (residue 4 and name HB1) 0.0 1.8 4.53459 ! force: 0.0837796 assign (residue 1 and name HA) (residue 4 and name HB2) 0.0 1.8 3.34145 ! force: 0.12041 assign (residue 1 and name HB#) (residue 4 and name HB2) 0.0 1.8 3.38655 ! force: 0.0262212 assign (residue 1 and name HA) (residue 4 and name HG) 0.0 1.8 4.48513 ! force: 0.116429 assign (residue 1 and name HD2) (residue 4 and name HG) 0.0 1.8 4.99293 ! force: 0.104219 assign (residue 1 and name HA) (residue 4 and name HD1#) 0.0 1.8 3.10774 ! force: 0.12099 assign (residue 1 and name HB#) (residue 4 and name HD1#) 0.0 1.8 2.73908 ! force: 0.0515578 assign (residue 1 and name HD2) (residue 4 and name HD1#) 0.0 1.8 3.53919 ! force: 0.124047 assign (residue 1 and name HE1) (residue 4 and name HD1#) 0.0 1.8 3.58381 ! force: 0.0770451 assign (residue 2 and name HB2#) (residue 4 and name HD1#) 0.0 1.8 4.61896 ! force: 0.0890677 assign (residue 1 and name HA) (residue 4 and name HD2#) 0.0 1.8 3.13282 ! force: 0.224543 assign (residue 1 and name HB#) (residue 4 and name HD2#) 0.0 1.8 3.48754 ! force: 0.0356491 assign (residue 1 and name HD2) (residue 4 and name HD2#) 0.0 1.8 3.4671 ! force: 0.28503 assign (residue 1 and name HE1) (residue 4 and name HD2#) 0.0 1.8 3.73287 ! force: 0.128177 assign (residue 2 and name HB2#) (residue 4 and name HD2#) 0.0 1.8 4.92398 ! force: 0.016696 assign (residue 1 and name HB#) (residue 5 and name HN) 0.0 1.8 4.6336 ! force: 0.0895549 assign (residue 1 and name HD2) (residue 5 and name HN) 0.0 1.8 4.81273 ! force: 0.096005 assign (residue 2 and name HN) (residue 5 and name HN) 0.0 1.8 4.96202 ! force: 0.141723 assign (residue 2 and name HB2#) (residue 5 and name HN) 0.0 1.8 2.87025 ! force: 0.419248 assign (residue 3 and name HN) (residue 5 and name HN) 0.0 1.8 4.47025 ! force: 0.436336 assign (residue 3 and name HA) (residue 5 and name HN) 0.0 1.8 4.2452 ! force: 0.395724 assign (residue 3 and name HD1#) (residue 5 and name HN) 0.0 1.8 4.95147 ! force: 0.0973668 assign (residue 2 and name HB2#) (residue 5 and name HA) 0.0 1.8 4.35312 ! force: 0.128133 assign (residue 2 and name HB2#) (residue 5 and name HB1) 0.0 1.8 2.73086 ! force: 0.450834 assign (residue 1 and name HD2) (residue 5 and name HB2) 0.0 1.8 4.46709 ! force: 0.520576 assign (residue 2 and name HB12) (residue 5 and name HB2) 0.0 1.8 4.70298 ! force: 0.0178502 assign (residue 2 and name HB2#) (residue 5 and name HB2) 0.0 1.8 2.64346 ! force: 0.839711 assign (residue 2 and name HD12) (residue 5 and name HB2) 0.0 1.8 4.79593 ! force: 0.0294336 assign (residue 1 and name HA) (residue 5 and name HD2) 0.0 1.8 4.78494 ! force: 0.463597 assign (residue 1 and name HB#) (residue 5 and name HD2) 0.0 1.8 3.44439 ! force: 0.387286 assign (residue 2 and name HB2#) (residue 5 and name HD2) 0.0 1.8 3.13788 ! force: 0.743819 assign (residue 2 and name HB12) (residue 6 and name HN) 0.0 1.8 4.88083 ! force: 0.0458412 assign (residue 2 and name HB2#) (residue 6 and name HN) 0.0 1.8 3.55294 ! force: 0.0673597 assign (residue 2 and name HG12) (residue 6 and name HN) 0.0 1.8 4.66714 ! force: 0.03086 assign (residue 3 and name HA) (residue 6 and name HN) 0.0 1.8 3.61599 ! force: 0.323154 assign (residue 3 and name HG2#) (residue 6 and name HN) 0.0 1.8 4.90562 ! force: 0.0750581 assign (residue 4 and name HN) (residue 6 and name HN) 0.0 1.8 4.58239 ! force: 0.18381 assign (residue 4 and name HA) (residue 6 and name HN) 0.0 1.8 4.53455 ! force: 0.0593643 assign (residue 2 and name HB2#) (residue 6 and name HB1#) 0.0 1.8 4.97038 ! force: 0.125222 assign (residue 2 and name HD11) (residue 6 and name HB1#) 0.0 1.8 4.32978 ! force: 0.0151822 assign (residue 3 and name HA) (residue 6 and name HB1#) 0.0 1.8 3.43612 ! force: 0.142721 assign (residue 3 and name HG2#) (residue 6 and name HB1#) 0.0 1.8 3.94505 ! force: 0.0533667 assign (residue 2 and name HG12) (residue 6 and name HB2#) 0.0 1.8 4.93015 ! force: 0.0612935 assign (residue 3 and name HA) (residue 6 and name HB2#) 0.0 1.8 4.83643 ! force: 0.084796 assign (residue 2 and name HD12) (residue 6 and name HD11) 0.0 1.8 4.82127 ! force: 0.0198954 assign (residue 2 and name HE1) (residue 6 and name HD11) 0.0 1.8 4.30106 ! 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