NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
6548 | 1j7o | cing | 1-original | 1 | XPLOR/CNS | dipolar coupling |
!Dipolar couplings measured in ~18mg/ml Pf1 at 10mM KCl, pH 7.0 !No buffer was used. The quadrapolar splitting of the liquid crystal !is 18.3 Hz ! NH Couplings assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 4 and name N and segid AN1) ( resid 4 and name HN and segid AN1) -8.3420 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 5 and name N and segid AN1) ( resid 5 and name HN and segid AN1) -1.9190 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 6 and name N and segid AN1) ( resid 6 and name HN and segid AN1) 14.7200 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 7 and name N and segid AN1) ( resid 7 and name HN and segid AN1) 11.1630 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 8 and name N and segid AN1) ( resid 8 and name HN and segid AN1) 14.6630 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name N and segid AN1) ( resid 9 and name HN and segid AN1) 18.5660 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 10 and name N and segid AN1) ( resid 10 and name HN and segid AN1) 15.2060 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 11 and name N and segid AN1) ( resid 11 and name HN and segid AN1) 14.3640 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 12 and name N and segid AN1) ( resid 12 and name HN and segid AN1) 20.1750 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 13 and name N and segid AN1) ( resid 13 and name HN and segid AN1) 13.7480 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 14 and name N and segid AN1) ( resid 14 and name HN and segid AN1) 6.5490 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 15 and name N and segid AN1) ( resid 15 and name HN and segid AN1) 17.2930 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 16 and name N and segid AN1) ( resid 16 and name HN and segid AN1) 18.2210 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 17 and name N and segid AN1) ( resid 17 and name HN and segid AN1) 9.5650 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 18 and name N and segid AN1) ( resid 18 and name HN and segid AN1) 10.1480 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 19 and name N and segid AN1) ( resid 19 and name HN and segid AN1) 19.6000 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 20 and name N and segid AN1) ( resid 20 and name HN and segid AN1) 8.3270 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 21 and name N and segid AN1) ( resid 21 and name HN and segid AN1) -7.6820 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 22 and name N and segid AN1) ( resid 22 and name HN and segid AN1) -1.2640 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 23 and name N and segid AN1) ( resid 23 and name HN and segid AN1) -18.5060 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 24 and name N and segid AN1) ( resid 24 and name HN and segid AN1) -1.1270 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 25 and name N and segid AN1) ( resid 25 and name HN and segid AN1) 0.0530 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 26 and name N and segid AN1) ( resid 26 and name HN and segid AN1) 15.5030 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 27 and name N and segid AN1) ( resid 27 and name HN and segid AN1) 17.2710 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 28 and name N and segid AN1) ( resid 28 and name HN and segid AN1) 5.9240 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 29 and name N and segid AN1) ( resid 29 and name HN and segid AN1) -8.7610 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 31 and name N and segid AN1) ( resid 31 and name HN and segid AN1) -3.6940 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 32 and name N and segid AN1) ( resid 32 and name HN and segid AN1) -9.6310 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 33 and name N and segid AN1) ( resid 33 and name HN and segid AN1) -13.9480 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 34 and name N and segid AN1) ( resid 34 and name HN and segid AN1) -12.2980 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 35 and name N and segid AN1) ( resid 35 and name HN and segid AN1) -6.8760 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 36 and name N and segid AN1) ( resid 36 and name HN and segid AN1) -10.8950 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 37 and name N and segid AN1) ( resid 37 and name HN and segid AN1) -17.6970 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 38 and name N and segid AN1) ( resid 38 and name HN and segid AN1) -7.3340 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 41 and name N and segid AN1) ( resid 41 and name HN and segid AN1) -10.9010 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 44 and name N and segid AN1) ( resid 44 and name HN and segid AN1) 2.9320 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 45 and name N and segid AN1) ( resid 45 and name HN and segid AN1) 16.2800 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 46 and name N and segid AN1) ( resid 46 and name HN and segid AN1) 11.3100 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 47 and name N and segid AN1) ( resid 47 and name HN and segid AN1) 18.5160 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 48 and name N and segid AN1) ( resid 48 and name HN and segid AN1) 21.0200 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 49 and name N and segid AN1) ( resid 49 and name HN and segid AN1) 13.7660 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 50 and name N and segid AN1) ( resid 50 and name HN and segid AN1) 12.2270 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 51 and name N and segid AN1) ( resid 51 and name HN and segid AN1) 19.4250 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name N and segid AN1) ( resid 52 and name HN and segid AN1) 18.6360 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 53 and name N and segid AN1) ( resid 53 and name HN and segid AN1) 14.5340 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 54 and name N and segid AN1) ( resid 54 and name HN and segid AN1) 14.1000 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 55 and name N and segid AN1) ( resid 55 and name HN and segid AN1) 21.4370 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 56 and name N and segid AN1) ( resid 56 and name HN and segid AN1) 1.7330 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 57 and name N and segid AN1) ( resid 57 and name HN and segid AN1) -5.0470 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 58 and name N and segid AN1) ( resid 58 and name HN and segid AN1) 6.0630 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 59 and name N and segid AN1) ( resid 59 and name HN and segid AN1) -14.1860 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 60 and name N and segid AN1) ( resid 60 and name HN and segid AN1) 2.9730 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 61 and name N and segid AN1) ( resid 61 and name HN and segid AN1) 9.9850 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 62 and name N and segid AN1) ( resid 62 and name HN and segid AN1) 12.3960 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 63 and name N and segid AN1) ( resid 63 and name HN and segid AN1) 17.8180 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 64 and name N and segid AN1) ( resid 64 and name HN and segid AN1) 5.9380 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 65 and name N and segid AN1) ( resid 65 and name HN and segid AN1) -14.9820 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 67 and name N and segid AN1) ( resid 67 and name HN and segid AN1) -9.6140 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 68 and name N and segid AN1) ( resid 68 and name HN and segid AN1) -16.2530 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 69 and name N and segid AN1) ( resid 69 and name HN and segid AN1) -21.1440 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 70 and name N and segid AN1) ( resid 70 and name HN and segid AN1) -16.9480 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 71 and name N and segid AN1) ( resid 71 and name HN and segid AN1) -17.2570 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 72 and name N and segid AN1) ( resid 72 and name HN and segid AN1) -18.7580 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 73 and name N and segid AN1) ( resid 73 and name HN and segid AN1) -17.4170 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 74 and name N and segid AN1) ( resid 74 and name HN and segid AN1) -10.9470 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 75 and name N and segid AN1) ( resid 75 and name HN and segid AN1) -10.6910 1.0000 1.0000 ! ! CAHA Couplings assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 2 and name CA and segid AN1) ( resid 2 and name HA and segid AN1) 4.7690 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 3 and name CA and segid AN1) ( resid 3 and name HA and segid AN1) -8.4360 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 4 and name CA and segid AN1) ( resid 4 and name HA and segid AN1) -24.8020 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 5 and name CA and segid AN1) ( resid 5 and name HA and segid AN1) 32.0150 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 6 and name CA and segid AN1) ( resid 6 and name HA and segid AN1) -14.8120 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name CA and segid AN1) ( resid 9 and name HA and segid AN1) -8.1430 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 10 and name CA and segid AN1) ( resid 10 and name HA and segid AN1) -28.0020 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 11 and name CA and segid AN1) ( resid 11 and name HA and segid AN1) 22.7090 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 12 and name CA and segid AN1) ( resid 12 and name HA and segid AN1) 16.3860 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 13 and name CA and segid AN1) ( resid 13 and name HA and segid AN1) -9.9750 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 14 and name CA and segid AN1) ( resid 14 and name HA and segid AN1) -20.3140 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 15 and name CA and segid AN1) ( resid 15 and name HA and segid AN1) 34.1150 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 16 and name CA and segid AN1) ( resid 16 and name HA and segid AN1) -10.4310 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 17 and name CA and segid AN1) ( resid 17 and name HA and segid AN1) -25.0550 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 19 and name CA and segid AN1) ( resid 19 and name HA and segid AN1) 24.5880 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 21 and name CA and segid AN1) ( resid 21 and name HA and segid AN1) -11.9410 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 22 and name CA and segid AN1) ( resid 22 and name HA and segid AN1) 25.9470 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 24 and name CA and segid AN1) ( resid 24 and name HA and segid AN1) -14.0510 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 25 and name CA and segid AN1) ( resid 25 and name HA# and segid AN1) -19.9230 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( 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SSS) ( resid 500 and name Y and segid SSS) ( resid 63 and name C and segid AN1) ( resid 63 and name CA and segid AN1) -1.1720 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 64 and name C and segid AN1) ( resid 64 and name CA and segid AN1) -0.7640 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 66 and name C and segid AN1) ( resid 66 and name CA and segid AN1) -1.9140 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 67 and name C and segid AN1) ( resid 67 and name CA and segid AN1) -1.9180 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 68 and name C and segid AN1) ( resid 68 and name CA and segid AN1) 0.6620 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 69 and name C and segid AN1) ( resid 69 and name CA and segid AN1) -1.3790 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 70 and name C and segid AN1) ( resid 70 and name CA and segid AN1) -0.2460 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 71 and name C and segid AN1) ( resid 71 and name CA and segid AN1) -2.6110 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 72 and name C and segid AN1) ( resid 72 and name CA and segid AN1) 1.2990 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 73 and name C and segid AN1) ( resid 73 and name CA and segid AN1) -2.6000 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 74 and name C and segid AN1) ( resid 74 and name CA and segid AN1) -0.5200 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 75 and name C and segid AN1) ( resid 75 and name CA and segid AN1) -1.7580 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 76 and name C and segid AN1) ( resid 76 and name CA and segid AN1) -0.6780 1.0000 1.0000 ! ! NC' Couplings assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 3 and name C and segid AN1) ( resid 4 and name N and segid AN1) 0.2360 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 5 and name C and segid AN1) ( resid 6 and name N and segid AN1) -0.5060 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 6 and name C and segid AN1) ( resid 7 and name N and segid AN1) -1.8040 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 8 and name C and segid AN1) ( resid 9 and name N and 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resid 13 and name N and segid AN1) -0.4200 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 14 and name C and segid AN1) ( resid 15 and name N and segid AN1) -0.8360 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 15 and name C and segid AN1) ( resid 16 and name N and segid AN1) 0.2860 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 16 and name C and segid AN1) ( resid 17 and name N and segid AN1) -0.6340 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 17 and name C and segid AN1) ( resid 18 and name N and segid AN1) -2.1640 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 18 and name C and segid AN1) ( resid 19 and name N and segid AN1) 0.5280 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 19 and name C and segid AN1) ( resid 20 and name N and segid AN1) -0.1440 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 20 and name C and segid AN1) ( resid 21 and name N and segid AN1) 2.1860 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 21 and name C and segid AN1) ( resid 22 and name N and segid AN1) -0.7820 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 22 and name C and segid AN1) ( resid 23 and name N and segid AN1) 1.2340 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 24 and name C and segid AN1) ( resid 25 and name N and segid AN1) -1.4000 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 25 and name C and segid AN1) ( resid 26 and name N and segid AN1) 1.4480 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 26 and name C and segid AN1) ( resid 27 and name N and segid AN1) -1.8220 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 27 and name C and segid AN1) ( resid 28 and name N and segid AN1) 2.2060 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 28 and name C and segid AN1) ( resid 29 and name N and segid AN1) 0.1040 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 30 and name C and segid AN1) ( resid 31 and name N and segid AN1) 1.2260 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 31 and name C and segid AN1) ( resid 32 and name N and segid AN1) 0.4140 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 32 and name C and segid AN1) ( resid 33 and name N and segid AN1) 1.5340 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 33 and name C and segid AN1) ( resid 34 and name N and segid AN1) -1.4040 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 34 and name C and segid AN1) ( resid 35 and name N and segid AN1) 2.2060 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 35 and name C and segid AN1) ( resid 36 and name N and segid AN1) 0.1740 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 36 and name C and segid AN1) ( resid 37 and name N and segid AN1) 0.9380 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 37 and name C and segid AN1) ( resid 38 and name N and segid AN1) -0.3880 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 40 and name C and segid AN1) ( resid 41 and name N and segid AN1) -0.6640 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 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resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name C and segid AN1) ( resid 53 and name N and segid AN1) -0.5760 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 54 and name C and segid AN1) ( resid 55 and name N and segid AN1) -1.1940 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 55 and name C and segid AN1) ( resid 56 and name N and segid AN1) -0.0300 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 56 and name C and segid AN1) ( resid 57 and name N and segid AN1) 1.6460 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 57 and name C and segid AN1) ( resid 58 and name N and segid AN1) -0.2260 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 58 and name C and segid AN1) ( resid 59 and name N and segid AN1) -0.1580 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 59 and name C and segid AN1) ( resid 60 and name N and segid AN1) -0.5760 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 60 and name C and segid AN1) ( resid 61 and name N 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( resid 65 and name N and segid AN1) 0.1660 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 66 and name C and segid AN1) ( resid 67 and name N and segid AN1) 1.4100 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 67 and name C and segid AN1) ( resid 68 and name N and segid AN1) 0.6980 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 68 and name C and segid AN1) ( resid 69 and name N and segid AN1) 1.3380 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 69 and 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segid SSS) ( resid 73 and name C and segid AN1) ( resid 74 and name N and segid AN1) 0.3120 0.1200 0.1200 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 74 and name C and segid AN1) ( resid 75 and name N and segid AN1) 0.9720 0.1200 0.1200 ! ! COHA Couplings assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 3 and name C and segid AN1) ( resid 3 and name HA and segid AN1) -0.2500 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 4 and name C and segid AN1) ( resid 4 and name HA and segid AN1) -1.0820 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 5 and name C and segid AN1) ( resid 5 and name HA and segid AN1) 3.8900 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 6 and name C and segid AN1) ( resid 6 and name HA and segid AN1) -1.0840 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 8 and name C and segid AN1) ( resid 8 and name HA and segid AN1) -3.9820 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name C and segid AN1) ( resid 9 and name HA and segid AN1) -0.4800 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 10 and name C and segid AN1) ( resid 10 and name HA and segid AN1) -2.2770 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 11 and name C and segid AN1) ( resid 11 and name HA and segid AN1) -1.1620 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 12 and name C and segid AN1) ( resid 12 and name HA and segid AN1) -4.3530 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 13 and name C and segid AN1) ( resid 13 and name HA and segid AN1) 1.0530 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 14 and name C and segid AN1) ( resid 14 and name HA and segid AN1) -2.4300 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 15 and name C and segid AN1) ( resid 15 and name HA and segid AN1) -2.6980 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 16 and name C and segid AN1) ( resid 16 and name HA and segid AN1) -1.3110 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 17 and name C and segid AN1) ( resid 17 and name HA and segid AN1) -0.8010 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 18 and name C and segid AN1) ( resid 18 and name HA and segid AN1) -1.1310 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 19 and name C and segid AN1) ( resid 19 and name HA and segid AN1) -4.8180 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 20 and name C and segid AN1) ( resid 20 and name HA and segid AN1) -0.3530 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 21 and name C and segid AN1) ( resid 21 and name HA and segid AN1) -4.5840 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 22 and name C and segid AN1) ( resid 22 and name HA and segid AN1) 4.9760 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 24 and name C and segid AN1) ( resid 24 and name HA and segid AN1) -0.5710 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 26 and name C and segid AN1) ( resid 26 and name HA and segid AN1) 4.1760 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 28 and name C and segid AN1) ( resid 28 and name HA and segid AN1) -1.5350 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 29 and name C and segid AN1) ( resid 29 and name HA and segid AN1) 4.3380 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 30 and name C and segid AN1) ( resid 30 and name HA and segid AN1) 0.1440 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 31 and name C and segid AN1) ( resid 31 and name HA and segid AN1) 1.1850 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 32 and name C and segid AN1) ( resid 32 and name HA and segid AN1) 2.0080 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 34 and name C and segid AN1) ( resid 34 and name HA and segid AN1) 3.3870 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 35 and name C and segid AN1) ( resid 35 and name HA and segid AN1) -2.3380 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 36 and name C and segid AN1) ( resid 36 and name HA and segid AN1) 5.6720 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 37 and name C and segid AN1) ( resid 37 and name HA and segid AN1) -1.5840 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 38 and name C and segid AN1) ( resid 38 and name HA and segid AN1) 4.2710 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 39 and name C and segid AN1) ( resid 39 and name HA and segid AN1) -0.9850 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 44 and name C and segid AN1) ( resid 44 and name HA and segid AN1) 2.5240 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 45 and name C and segid AN1) ( resid 45 and name HA and segid AN1) 0.1560 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 46 and name C and segid AN1) ( resid 46 and name HA and segid AN1) -2.6950 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 47 and name C and segid AN1) ( resid 47 and name HA and segid AN1) -1.7670 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 49 and name C and segid AN1) ( resid 49 and name HA and segid AN1) -0.3400 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 51 and name C and segid AN1) ( resid 51 and name HA and segid AN1) -4.0430 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name C and segid AN1) ( resid 52 and name HA and segid AN1) -0.8240 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 53 and name C and segid AN1) ( resid 53 and name HA and segid AN1) -2.0390 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 54 and name C and segid AN1) ( resid 54 and name HA and segid AN1) -1.5880 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 55 and name C and segid AN1) ( resid 55 and name HA and segid AN1) -2.2200 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 56 and name C and segid AN1) ( resid 56 and name HA and segid AN1) 0.6700 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 57 and name C and segid AN1) ( resid 57 and name HA and segid AN1) -4.6640 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 58 and name C and segid AN1) ( resid 58 and name HA and segid AN1) 5.0150 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 60 and name C and segid AN1) ( resid 60 and name HA and segid AN1) -1.4450 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 62 and name C and segid AN1) ( resid 62 and name HA and segid AN1) 4.4180 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 63 and name C and segid AN1) ( resid 63 and name HA and segid AN1) 0.2140 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 64 and name C and segid AN1) ( resid 64 and name HA and segid AN1) 1.2970 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 66 and name C and segid AN1) ( resid 66 and name HA and segid AN1) 0.0630 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 67 and name C and segid AN1) ( resid 67 and name HA and segid AN1) 1.7230 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 68 and name C and segid AN1) ( resid 68 and name HA and segid AN1) 2.6890 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 69 and name C and segid AN1) ( resid 69 and name HA and segid AN1) 0.4400 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 70 and name C and segid AN1) ( resid 70 and name HA and segid AN1) 3.7720 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 71 and name C and segid AN1) ( resid 71 and name HA and segid AN1) -1.9670 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 72 and name C and segid AN1) ( resid 72 and name HA and segid AN1) 5.5050 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 73 and name C and segid AN1) ( resid 73 and name HA and segid AN1) -1.1620 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 74 and name C and segid AN1) ( resid 74 and name HA and segid AN1) 3.5180 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 75 and name C and segid AN1) ( resid 75 and name HA and segid AN1) 1.0200 1.0000 1.0000 ! ! CBHB Couplings assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name CB and segid AN1) ( resid 9 and name HB and segid AN1) -0.7220 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 11 and name CB and segid AN1) ( resid 11 and name HB# and segid AN1) 36.9220 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 12 and name CB and segid AN1) ( resid 12 and name HB# and segid AN1) 11.8400 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 14 and name CB and segid AN1) ( resid 14 and name HB# and segid AN1) 9.1770 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 16 and name CB and segid AN1) ( resid 16 and name HB# and segid AN1) -3.4910 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 18 and name CB and segid AN1) ( resid 18 and name HB# and segid AN1) 39.484 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 19 and name CB and segid AN1) ( resid 19 and name HB# and segid AN1) 18.4120 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 26 and name CB and segid AN1) ( resid 26 and name HB and segid AN1) -6.9640 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 28 and name CB and segid AN1) ( resid 28 and name HB and segid AN1) 2.3510 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 31 and name CB and segid AN1) ( resid 31 and name HB# and segid AN1) 9.957 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 34 and name CB and segid AN1) ( resid 34 and name HB and segid AN1) 21.893 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 35 and name CB and segid AN1) ( resid 35 and name HB and segid AN1) -3.4990 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 36 and name CB and segid AN1) ( resid 36 and name HB# and segid AN1) -28.9790 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 45 and name CB and segid AN1) ( resid 45 and name HB# and segid AN1) -0.508 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 47 and name CB and segid AN1) ( resid 47 and name HB# and segid AN1) 36.9790 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 49 and name CB and segid AN1) ( resid 49 and name HB# and segid AN1) 3.1360 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 51 and name CB and segid AN1) ( resid 51 and name HB# and segid AN1) 7.4780 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name CB and segid AN1) ( resid 52 and name HB and segid AN1) 9.898 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 60 and name CB and segid AN1) ( resid 60 and name HB# and segid AN1) 24.813 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 62 and name CB and segid AN1) ( resid 62 and name HB and segid AN1) -14.8510 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 64 and name CB and segid AN1) ( resid 64 and name HB# and segid AN1) -12.0690 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 67 and name CB and segid AN1) ( resid 67 and name HB# and segid AN1) 14.751 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 68 and name CB and segid AN1) ( resid 68 and name HB# and segid AN1) 8.6540 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 71 and name CB and segid AN1) ( resid 71 and name HB# and segid AN1) -20.392 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 74 and name CB and segid AN1) ( resid 74 and name HB# and segid AN1) 5.4550 1.0000 1.0000 !Derived from Methyl CH3 Dipolar Couplings. Use the lower limit assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name CB and segid AN1) ( resid 9 and name CG2 and segid AN1) -2.117 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 9 and name CB and segid AN1) ( resid 9 and name CD1 and segid AN1) 1.800 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 26 and name CB and segid AN1) ( resid 26 and name CG2 and segid AN1) 1.008 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 29 and name CB and segid AN1) ( resid 29 and name CG2 and segid AN1) 0.105 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 35 and name CB and segid AN1) ( resid 35 and name CG1 and segid AN1) 0.438 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name CB and segid AN1) ( resid 52 and name CG2 and segid AN1) -0.820 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 52 and name CB and segid AN1) ( resid 52 and name CD1 and segid AN1) -0.356 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 62 and name CB and segid AN1) ( resid 62 and name CG2 and segid AN1) 1.555 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 63 and name CB and segid AN1) ( resid 63 and name CG2 and segid AN1) 0.533 1.0000 1.0000 assign ( resid 500 and name OO and segid SSS) ( resid 500 and name Z and segid SSS) ( resid 500 and name X and segid SSS) ( resid 500 and name Y and segid SSS) ( resid 63 and name CB and segid AN1) ( resid 63 and name CD1 and segid AN1) -0.444 1.0000 1.0000
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