NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
633984 | 6nbn | 30550 | cing | 1-original | 3 | XPLOR/CNS | coupling constant |
# Restraints file 3: o22-jcoupling-restraints.tbl REMARK CYS JHAHB Karplus Coefficient A, B, C = 7.23, -1.37, 1.71 assign ( segid " A" and resid 18 and name ha ) ( segid " A" and resid 18 and name ca ) ( segid " A" and resid 18 and name cb ) ( segid " A" and resid 18 and name Hb2 ) 9.708 1.002 assign ( segid " A" and resid 18 and name ha ) ( segid " A" and resid 18 and name ca ) ( segid " A" and resid 18 and name cb ) ( segid " A" and resid 18 and name Hb1 ) 2.450 1.065 assign ( segid " A" and resid 49 and name ha ) ( segid " A" and resid 49 and name ca ) ( segid " A" and resid 49 and name cb ) ( segid " A" and resid 49 and name Hb2 ) 5.254 1.031 assign ( segid " A" and resid 49 and name ha ) ( segid " A" and resid 49 and name ca ) ( segid " A" and resid 49 and name cb ) ( segid " A" and resid 49 and name Hb1 ) 9.809 1.006 assign ( segid " A" and resid 88 and name ha ) ( segid " A" and resid 88 and name ca ) ( segid " A" and resid 88 and name cb ) ( segid " A" and resid 88 and name Hb2 ) 7.354 1.010 assign ( segid " A" and resid 88 and name ha ) ( segid " A" and resid 88 and name ca ) ( segid " A" and resid 88 and name cb ) ( segid " A" and resid 88 and name Hb1 ) 0.246 5.383 assign ( segid " A" and resid 98 and name ha ) ( segid " A" and resid 98 and name ca ) ( segid " A" and resid 98 and name cb ) ( segid " A" and resid 98 and name Hb2 ) 13.662 1.015 assign ( segid " A" and resid 98 and name ha ) ( segid " A" and resid 98 and name ca ) ( segid " A" and resid 98 and name cb ) ( segid " A" and resid 98 and name Hb1 ) 4.225 1.358 assign ( segid " A" and resid 107 and name ha ) ( segid " A" and resid 107 and name ca ) ( segid " A" and resid 107 and name cb ) ( segid " A" and resid 107 and name Hb2 ) 5.174 1.013 assign ( segid " A" and resid 107 and name ha ) ( segid " A" and resid 107 and name ca ) ( segid " A" and resid 107 and name cb ) ( segid " A" and resid 107 and name Hb1 ) 8.843 1.003 REMARK General JHAHB - Karplus Coefficient A, B, C = 7.23, -1.37, 2.22 assign ( segid " A" and resid 3 and name ha ) ( segid " A" and resid 3 and name ca ) ( segid " A" and resid 3 and name cb ) ( segid " A" and resid 3 and name Hb2 ) 4.104 1.002 assign ( segid " A" and resid 3 and name ha ) ( segid " A" and resid 3 and name ca ) ( segid " A" and resid 3 and name cb ) ( segid " A" and resid 3 and name Hb1 ) 11.762 1.000 assign ( segid " A" and resid 10 and name ha ) ( segid " A" and resid 10 and name ca ) ( segid " A" and resid 10 and name cb ) ( segid " A" and resid 10 and name Hb2 ) 10.887 1.002 assign ( segid " A" and resid 10 and name ha ) ( segid " A" and resid 10 and name ca ) ( segid " A" and resid 10 and name cb ) ( segid " A" and resid 10 and name Hb1 ) 3.980 1.034 assign ( segid " A" and resid 11 and name ha ) ( segid " A" and resid 11 and name ca ) ( segid " A" and resid 11 and name cb ) ( segid " A" and resid 11 and name Hb2 ) 4.679 1.040 assign ( segid " A" and resid 11 and name ha ) ( segid " A" and resid 11 and name ca ) ( segid " A" and resid 11 and name cb ) ( segid " A" and resid 11 and name Hb1 ) 10.464 1.004 assign ( segid " A" and resid 14 and name ha ) ( segid " A" and resid 14 and name ca ) ( segid " A" and resid 14 and name cb ) ( segid " A" and resid 14 and name Hb2 ) 9.900 1.015 assign ( segid " A" and resid 14 and name ha ) ( segid " A" and resid 14 and name ca ) ( segid " A" and resid 14 and name cb ) ( segid " A" and resid 14 and name Hb1 ) 4.153 1.143 assign ( segid " A" and resid 15 and name ha ) ( segid " A" and resid 15 and name ca ) ( segid " A" and resid 15 and name cb ) ( segid " A" and resid 15 and name Hb2 ) 8.107 1.031 assign ( segid " A" and resid 15 and name ha ) ( segid " A" and resid 15 and name ca ) ( segid " A" and resid 15 and name cb ) ( segid " A" and resid 15 and name Hb1 ) 5.075 1.103 assign ( segid " A" and resid 17 and name ha ) ( segid " A" and resid 17 and name ca ) ( segid " A" and resid 17 and name cb ) ( segid " A" and resid 17 and name Hb2 ) 8.043 1.003 assign ( segid " A" and resid 17 and name ha ) ( segid " A" and resid 17 and name ca ) ( segid " A" and resid 17 and name cb ) ( segid " A" and resid 17 and name Hb1 ) 5.735 1.006 assign ( segid " A" and resid 22 and name ha ) ( segid " A" and resid 22 and name ca ) ( segid " A" and resid 22 and name cb ) ( segid " A" and resid 22 and name Hb2 ) 9.107 1.002 assign ( segid " A" and resid 22 and name ha ) ( segid " A" and resid 22 and name ca ) ( segid " A" and resid 22 and name cb ) ( segid " A" and resid 22 and name Hb1 ) 3.091 1.033 !assign ( segid " A" and resid 23 and name ha ) ( segid " A" and resid 23 and name ca ) ! ( segid " A" and resid 23 and name cb ) ( segid " A" and resid 23 and name HB2 ) 5.299 1.007 ! assign ( segid " A" and resid 23 and name ha ) ( segid " A" and resid 23 and name ca ) ! ( segid " A" and resid 23 and name cb ) ( segid " A" and resid 23 and name HB1 ) 4.531 1.011 assign ( segid " A" and resid 28 and name ha ) ( segid " A" and resid 28 and name ca ) ( segid " A" and resid 28 and name cb ) ( segid " A" and resid 28 and name Hb2 ) 8.706 1.003 assign ( segid " A" and resid 28 and name ha ) ( segid " A" and resid 28 and name ca ) ( segid " A" and resid 28 and name cb ) ( segid " A" and resid 28 and name Hb1 ) 1.827 1.101 assign ( segid " A" and resid 30 and name ha ) ( segid " A" and resid 30 and name ca ) ( segid " A" and resid 30 and name cb ) ( segid " A" and resid 30 and name HB2 ) 10.031 1.002 assign ( segid " A" and resid 30 and name ha ) ( segid " A" and resid 30 and name ca ) ( segid " A" and resid 30 and name cb ) ( segid " A" and resid 30 and name HB1 ) 6.195 1.009 assign ( segid " A" and resid 31 and name ha ) ( segid " A" and resid 31 and name ca ) ( segid " A" and resid 31 and name cb ) ( segid " A" and resid 31 and name Hb2 ) 11.221 1.004 assign ( segid " A" and resid 31 and name ha ) ( segid " A" and resid 31 and name ca ) ( segid " A" and resid 31 and name cb ) ( segid " A" and resid 31 and name Hb1 ) 3.479 1.091 assign ( segid " A" and resid 32 and name ha ) ( segid " A" and resid 32 and name ca ) ( segid " A" and resid 32 and name cb ) ( segid " A" and resid 32 and name Hb2 ) 11.173 1.009 assign ( segid " A" and resid 32 and name ha ) ( segid " A" and resid 32 and name ca ) ( segid " A" and resid 32 and name cb ) ( segid " A" and resid 32 and name Hb1 ) 4.215 1.123 assign ( segid " A" and resid 33 and name ha ) ( segid " A" and resid 33 and name ca ) ( segid " A" and resid 33 and name cb ) ( segid " A" and resid 33 and name Hb2 ) 3.402 1.029 assign ( segid " A" and resid 33 and name ha ) ( segid " A" and resid 33 and name ca ) ( segid " A" and resid 33 and name cb ) ( segid " A" and resid 33 and name Hb1 ) 8.959 1.003 assign ( segid " A" and resid 34 and name ha ) ( segid " A" and resid 34 and name ca ) ( segid " A" and resid 34 and name cb ) ( segid " A" and resid 34 and name Hb2 ) 8.791 1.005 assign ( segid " A" and resid 34 and name ha ) ( segid " A" and resid 34 and name ca ) ( segid " A" and resid 34 and name cb ) ( segid " A" and resid 34 and name Hb1 ) 2.442 1.104 !assign ( segid " A" and resid 35 and name ha ) ( segid " A" and resid 35 and name ca ) ! ( segid " A" and resid 35 and name cb ) ( segid " A" and resid 35 and name Hb2 ) 4.678 1.113 !assign ( segid " A" and resid 35 and name ha ) ( segid " A" and resid 35 and name ca ) ! ( segid " A" and resid 35 and name cb ) ( segid " A" and resid 35 and name Hb1 ) 6.660 1.048 !assign ( segid " A" and resid 41 and name ha ) ( segid " A" and resid 41 and name ca ) ! ( segid " A" and resid 41 and name cb ) ( segid " A" and resid 41 and name Hb2 ) 8.412 1.004 ! assign ( segid " A" and resid 41 and name ha ) ( segid " A" and resid 41 and name ca ) ! ( segid " A" and resid 41 and name cb ) ( segid " A" and resid 41 and name Hb1 ) 3.081 1.045 assign ( segid " A" and resid 44 and name ha ) ( segid " A" and resid 44 and name ca ) ( segid " A" and resid 44 and name cb ) ( segid " A" and resid 44 and name Hb2 ) 10.468 1.061 assign ( segid " A" and resid 44 and name ha ) ( segid " A" and resid 44 and name ca ) ( segid " A" and resid 44 and name cb ) ( segid " A" and resid 44 and name Hb1 ) 3.193 1.929 assign ( segid " A" and resid 46 and name ha ) ( segid " A" and resid 46 and name ca ) ( segid " A" and resid 46 and name cb ) ( segid " A" and resid 46 and name Hb2 ) 6.535 1.054 assign ( segid " A" and resid 46 and name ha ) ( segid " A" and resid 46 and name ca ) ( segid " A" and resid 46 and name cb ) ( segid " A" and resid 46 and name Hb1 ) 10.208 1.015 assign ( segid " A" and resid 48 and name ha ) ( segid " A" and resid 48 and name ca ) ( segid " A" and resid 48 and name cb ) ( segid " A" and resid 48 and name Hb2 ) 2.928 1.515 assign ( segid " A" and resid 48 and name ha ) ( segid " A" and resid 48 and name ca ) ( segid " A" and resid 48 and name cb ) ( segid " A" and resid 48 and name Hb1 ) 10.895 1.022 assign ( segid " A" and resid 51 and name ha ) ( segid " A" and resid 51 and name ca ) ( segid " A" and resid 51 and name cb ) ( segid " A" and resid 51 and name Hb2 ) 7.703 1.011 assign ( segid " A" and resid 51 and name ha ) ( segid " A" and resid 51 and name ca ) ( segid " A" and resid 51 and name cb ) ( segid " A" and resid 51 and name Hb1 ) 4.118 1.054 assign ( segid " A" and resid 53 and name ha ) ( segid " A" and resid 53 and name ca ) ( segid " A" and resid 53 and name cb ) ( segid " A" and resid 53 and name Hb2 ) 9.086 1.005 assign ( segid " A" and resid 53 and name ha ) ( segid " A" and resid 53 and name ca ) ( segid " A" and resid 53 and name cb ) ( segid " A" and resid 53 and name Hb1 ) 1.982 1.167 assign ( segid " A" and resid 54 and name ha ) ( segid " A" and resid 54 and name ca ) ( segid " A" and resid 54 and name cb ) ( segid " A" and resid 54 and name Hb2 ) 8.888 1.014 assign ( segid " A" and resid 54 and name ha ) ( segid " A" and resid 54 and name ca ) ( segid " A" and resid 54 and name cb ) ( segid " A" and resid 54 and name Hb1 ) 2.718 1.223 assign ( segid " A" and resid 55 and name ha ) ( segid " A" and resid 55 and name ca ) ( segid " A" and resid 55 and name cb ) ( segid " A" and resid 55 and name Hb2 ) 8.119 1.018 assign ( segid " A" and resid 55 and name ha ) ( segid " A" and resid 55 and name ca ) ( segid " A" and resid 55 and name cb ) ( segid " A" and resid 55 and name Hb1 ) 3.413 1.143 assign ( segid " A" and resid 56 and name ha ) ( segid " A" and resid 56 and name ca ) ( segid " A" and resid 56 and name cb ) ( segid " A" and resid 56 and name Hb2 ) 4.309 1.005 assign ( segid " A" and resid 56 and name ha ) ( segid " A" and resid 56 and name ca ) ( segid " A" and resid 56 and name cb ) ( segid " A" and resid 56 and name Hb1 ) 1.740 1.032 assign ( segid " A" and resid 57 and name ha ) ( segid " A" and resid 57 and name ca ) ( segid " A" and resid 57 and name cb ) ( segid " A" and resid 57 and name Hb2 ) 4.108 1.228 assign ( segid " A" and resid 57 and name ha ) ( segid " A" and resid 57 and name ca ) ( segid " A" and resid 57 and name cb ) ( segid " A" and resid 57 and name Hb1 ) 9.772 1.025 assign ( segid " A" and resid 61 and name ha ) ( segid " A" and resid 61 and name ca ) ( segid " A" and resid 61 and name cb ) ( segid " A" and resid 61 and name HB2 ) 8.485 1.003 assign ( segid " A" and resid 61 and name ha ) ( segid " A" and resid 61 and name ca ) ( segid " A" and resid 61 and name cb ) ( segid " A" and resid 61 and name HB1 ) 4.890 1.011 assign ( segid " A" and resid 64 and name ha ) ( segid " A" and resid 64 and name ca ) ( segid " A" and resid 64 and name cb ) ( segid " A" and resid 64 and name Hb2 ) 9.923 1.009 assign ( segid " A" and resid 64 and name ha ) ( segid " A" and resid 64 and name ca ) ( segid " A" and resid 64 and name cb ) ( segid " A" and resid 64 and name Hb1 ) 4.602 1.070 assign ( segid " A" and resid 67 and name ha ) ( segid " A" and resid 67 and name ca ) ( segid " A" and resid 67 and name cb ) ( segid " A" and resid 67 and name Hb2 ) 10.042 1.004 assign ( segid " A" and resid 67 and name ha ) ( segid " A" and resid 67 and name ca ) ( segid " A" and resid 67 and name cb ) ( segid " A" and resid 67 and name Hb1 ) 2.031 1.180 assign ( segid " A" and resid 68 and name ha ) ( segid " A" and resid 68 and name ca ) ( segid " A" and resid 68 and name cb ) ( segid " A" and resid 68 and name Hb2 ) 8.489 1.013 assign ( segid " A" and resid 68 and name ha ) ( segid " A" and resid 68 and name ca ) ( segid " A" and resid 68 and name cb ) ( segid " A" and resid 68 and name Hb1 ) 1.871 1.378 assign ( segid " A" and resid 71 and name ha ) ( segid " A" and resid 71 and name ca ) ( segid " A" and resid 71 and name cb ) ( segid " A" and resid 71 and name Hb2 ) 3.072 1.089 assign ( segid " A" and resid 71 and name ha ) ( segid " A" and resid 71 and name ca ) ( segid " A" and resid 71 and name cb ) ( segid " A" and resid 71 and name Hb1 ) 8.299 1.008 assign ( segid " A" and resid 72 and name ha ) ( segid " A" and resid 72 and name ca ) ( segid " A" and resid 72 and name cb ) ( segid " A" and resid 72 and name Hb2 ) 9.502 1.012 assign ( segid " A" and resid 72 and name ha ) ( segid " A" and resid 72 and name ca ) ( segid " A" and resid 72 and name cb ) ( segid " A" and resid 72 and name Hb1 ) 1.774 1.530 !assign ( segid " A" and resid 74 and name ha ) ( segid " A" and resid 74 and name ca ) ! ( segid " A" and resid 74 and name cb ) ( segid " A" and resid 74 and name HB2 ) 6.647 1.007 !assign ( segid " A" and resid 74 and name ha ) ( segid " A" and resid 74 and name ca ) ! ( segid " A" and resid 74 and name cb ) ( segid " A" and resid 74 and name HB1 ) 5.707 1.010 assign ( segid " A" and resid 76 and name ha ) ( segid " A" and resid 76 and name ca ) ( segid " A" and resid 76 and name cb ) ( segid " A" and resid 76 and name Hb2 ) 8.031 1.002 assign ( segid " A" and resid 76 and name ha ) ( segid " A" and resid 76 and name ca ) ( segid " A" and resid 76 and name cb ) ( segid " A" and resid 76 and name Hb1 ) 3.710 1.015 assign ( segid " A" and resid 82 and name ha ) ( segid " A" and resid 82 and name ca ) ( segid " A" and resid 82 and name cb ) ( segid " A" and resid 82 and name Hb2 ) 3.636 1.143 assign ( segid " A" and resid 82 and name ha ) ( segid " A" and resid 82 and name ca ) ( segid " A" and resid 82 and name cb ) ( segid " A" and resid 82 and name Hb1 ) 9.550 1.013 assign ( segid " A" and resid 86 and name ha ) ( segid " A" and resid 86 and name ca ) ( segid " A" and resid 86 and name cb ) ( segid " A" and resid 86 and name Hb2 ) 9.733 1.004 assign ( segid " A" and resid 86 and name ha ) ( segid " A" and resid 86 and name ca ) ( segid " A" and resid 86 and name cb ) ( segid " A" and resid 86 and name Hb1 ) 2.601 1.096 assign ( segid " A" and resid 91 and name ha ) ( segid " A" and resid 91 and name ca ) ( segid " A" and resid 91 and name cb ) ( segid " A" and resid 91 and name HB1 ) 5.648 1.023 assign ( segid " A" and resid 92 and name ha ) ( segid " A" and resid 92 and name ca ) ( segid " A" and resid 92 and name cb ) ( segid " A" and resid 92 and name Hb2 ) 1.611 2.152 assign ( segid " A" and resid 92 and name ha ) ( segid " A" and resid 92 and name ca ) ( segid " A" and resid 92 and name cb ) ( segid " A" and resid 92 and name Hb1 ) 10.161 1.022 ! assign ( segid " A" and resid 95 and name ha ) ( segid " A" and resid 95 and name ca ) ! ( segid " A" and resid 95 and name cb ) ( segid " A" and resid 95 and name HB2 ) 5.240 1.010 ! assign ( segid " A" and resid 95 and name ha ) ( segid " A" and resid 95 and name ca ) ! ( segid " A" and resid 95 and name cb ) ( segid " A" and resid 95 and name HB1 ) 5.303 1.010 assign ( segid " A" and resid 96 and name ha ) ( segid " A" and resid 96 and name ca ) ( segid " A" and resid 96 and name cb ) ( segid " A" and resid 96 and name Hb2 ) 5.407 1.049 assign ( segid " A" and resid 96 and name ha ) ( segid " A" and resid 96 and name ca ) ( segid " A" and resid 96 and name cb ) ( segid " A" and resid 96 and name Hb1 ) 10.474 1.008 assign ( segid " A" and resid 100 and name ha ) ( segid " A" and resid 100 and name ca ) ( segid " A" and resid 100 and name cb ) ( segid " A" and resid 100 and name Hb2 ) 4.303 1.164 assign ( segid " A" and resid 100 and name ha ) ( segid " A" and resid 100 and name ca ) ( segid " A" and resid 100 and name cb ) ( segid " A" and resid 100 and name Hb1 ) 10.537 1.015 assign ( segid " A" and resid 102 and name ha ) ( segid " A" and resid 102 and name ca ) ( segid " A" and resid 102 and name cb ) ( segid " A" and resid 102 and name Hb2 ) 4.212 1.165 assign ( segid " A" and resid 102 and name ha ) ( segid " A" and resid 102 and name ca ) ( segid " A" and resid 102 and name cb ) ( segid " A" and resid 102 and name Hb1 ) 10.683 1.014 assign ( segid " A" and resid 105 and name ha ) ( segid " A" and resid 105 and name ca ) ( segid " A" and resid 105 and name cb ) ( segid " A" and resid 105 and name Hb2 ) 5.360 1.100 assign ( segid " A" and resid 105 and name ha ) ( segid " A" and resid 105 and name ca ) ( segid " A" and resid 105 and name cb ) ( segid " A" and resid 105 and name Hb1 ) 9.157 1.024 assign ( segid " A" and resid 106 and name ha ) ( segid " A" and resid 106 and name ca ) ( segid " A" and resid 106 and name cb ) ( segid " A" and resid 106 and name HB2 ) 6.617 1.016 assign ( segid " A" and resid 106 and name ha ) ( segid " A" and resid 106 and name ca ) ( segid " A" and resid 106 and name cb ) ( segid " A" and resid 106 and name HB1 ) 7.896 1.010 assign ( segid " A" and resid 108 and name ha ) ( segid " A" and resid 108 and name ca ) ( segid " A" and resid 108 and name cb ) ( segid " A" and resid 108 and name Hb2 ) 3.572 1.059 assign ( segid " A" and resid 108 and name ha ) ( segid " A" and resid 108 and name ca ) ( segid " A" and resid 108 and name cb ) ( segid " A" and resid 108 and name Hb1 ) 9.896 1.004 ! assign ( segid " A" and resid 109 and name ha ) ( segid " A" and resid 109 and name ca ) ! ( segid " A" and resid 109 and name cb ) ( segid " A" and resid 109 and name HB2 ) 4.570 1.031 ! assign ( segid " A" and resid 109 and name ha ) ( segid " A" and resid 109 and name ca ) ! ( segid " A" and resid 109 and name cb ) ( segid " A" and resid 109 and name HB1 ) 5.335 1.022 assign ( segid " A" and resid 111 and name ha ) ( segid " A" and resid 111 and name ca ) ( segid " A" and resid 111 and name cb ) ( segid " A" and resid 111 and name Hb2 ) 9.138 1.001 assign ( segid " A" and resid 111 and name ha ) ( segid " A" and resid 111 and name ca ) ( segid " A" and resid 111 and name cb ) ( segid " A" and resid 111 and name Hb1 ) 3.582 1.015 assign ( segid " A" and resid 112 and name ha ) ( segid " A" and resid 112 and name ca ) ( segid " A" and resid 112 and name cb ) ( segid " A" and resid 112 and name Hb2 ) 9.540 1.002 assign ( segid " A" and resid 112 and name ha ) ( segid " A" and resid 112 and name ca ) ( segid " A" and resid 112 and name cb ) ( segid " A" and resid 112 and name Hb1 ) 2.830 1.042 assign ( segid " A" and resid 113 and name ha ) ( segid " A" and resid 113 and name ca ) ( segid " A" and resid 113 and name cb ) ( segid " A" and resid 113 and name Hb2 ) 4.343 1.041 assign ( segid " A" and resid 113 and name ha ) ( segid " A" and resid 113 and name ca ) ( segid " A" and resid 113 and name cb ) ( segid " A" and resid 113 and name Hb1 ) 9.699 1.005 assign ( segid " A" and resid 122 and name ha ) ( segid " A" and resid 122 and name ca ) ( segid " A" and resid 122 and name cb ) ( segid " A" and resid 122 and name HB2 ) 5.467 1.001 assign ( segid " A" and resid 122 and name ha ) ( segid " A" and resid 122 and name ca ) ( segid " A" and resid 122 and name cb ) ( segid " A" and resid 122 and name HB1 ) 6.339 1.001 REMARK Ile JHAHB Karplus Coefficient A, B, C = 7.23, -1.37, 1.79 REMARK Phase Offset of +120 in Karplus Parameters assign ( segid " A" and resid 24 and name ha ) ( segid " A" and resid 24 and name ca ) ( segid " A" and resid 24 and name cb ) ( segid " A" and resid 24 and name Hb ) 10.191 1.013 assign ( segid " A" and resid 47 and name ha ) ( segid " A" and resid 47 and name ca ) ( segid " A" and resid 47 and name cb ) ( segid " A" and resid 47 and name Hb ) 9.692 1.011 assign ( segid " A" and resid 116 and name ha ) ( segid " A" and resid 116 and name ca ) ( segid " A" and resid 116 and name cb ) ( segid " A" and resid 116 and name Hb ) 9.745 1.010 REMARK SER JHAHB Karplus Coefficient A, B, C = 7.23, -1.37, 1.43 assign ( segid " A" and resid 6 and name ha ) ( segid " A" and resid 6 and name ca ) ( segid " A" and resid 6 and name cb ) ( segid " A" and resid 6 and name HB2 ) 7.449 1.033 assign ( segid " A" and resid 6 and name ha ) ( segid " A" and resid 6 and name ca ) ( segid " A" and resid 6 and name cb ) ( segid " A" and resid 6 and name HB1 ) 12.522 1.007 REMARK THR JHAHB Karplus Coefficient A, B, C = 7.23, -1.37, 0.81 REMARK Phase Offset of +120 in Karplus Parameters assign ( segid " A" and resid 4 and name ha ) ( segid " A" and resid 4 and name ca ) ( segid " A" and resid 4 and name cb ) ( segid " A" and resid 4 and name Hb ) 4.788 1.003 !assign ( segid " A" and resid 8 and name ha ) ( segid " A" and resid 8 and name ca ) ! ( segid " A" and resid 8 and name cb ) ( segid " A" and resid 8 and name Hb ) 4.740 1.005 assign ( segid " A" and resid 16 and name ha ) ( segid " A" and resid 16 and name ca ) ( segid " A" and resid 16 and name cb ) ( segid " A" and resid 16 and name Hb ) 7.157 1.003 assign ( segid " A" and resid 43 and name ha ) ( segid " A" and resid 43 and name ca ) ( segid " A" and resid 43 and name cb ) ( segid " A" and resid 43 and name Hb ) 8.440 1.006 assign ( segid " A" and resid 60 and name ha ) ( segid " A" and resid 60 and name ca ) ( segid " A" and resid 60 and name cb ) ( segid " A" and resid 60 and name Hb ) 7.733 1.002 assign ( segid " A" and resid 83 and name ha ) ( segid " A" and resid 83 and name ca ) ( segid " A" and resid 83 and name cb ) ( segid " A" and resid 83 and name Hb ) 6.808 1.002 assign ( segid " A" and resid 93 and name ha ) ( segid " A" and resid 93 and name ca ) ( segid " A" and resid 93 and name cb ) ( segid " A" and resid 93 and name Hb ) 2.451 1.012 REMARK VAL JHAHB Karplus Coefficient A, B, C = 7.23, -1.37, 1.79 assign ( segid " A" and resid 5 and name ha ) ( segid " A" and resid 5 and name ca ) ( segid " A" and resid 5 and name cb ) ( segid " A" and resid 5 and name Hb ) 8.799 1.004 assign ( segid " A" and resid 19 and name ha ) ( segid " A" and resid 19 and name ca ) ( segid " A" and resid 19 and name cb ) ( segid " A" and resid 19 and name Hb ) 9.171 1.017 assign ( segid " A" and resid 29 and name ha ) ( segid " A" and resid 29 and name ca ) ( segid " A" and resid 29 and name cb ) ( segid " A" and resid 29 and name Hb ) 10.949 1.005 assign ( segid " A" and resid 50 and name ha ) ( segid " A" and resid 50 and name ca ) ( segid " A" and resid 50 and name cb ) ( segid " A" and resid 50 and name Hb ) 8.645 1.011 assign ( segid " A" and resid 65 and name ha ) ( segid " A" and resid 65 and name ca ) ( segid " A" and resid 65 and name cb ) ( segid " A" and resid 65 and name Hb ) 10.361 1.000 assign ( segid " A" and resid 69 and name ha ) ( segid " A" and resid 69 and name ca ) ( segid " A" and resid 69 and name cb ) ( segid " A" and resid 69 and name Hb ) 10.595 1.005 assign ( segid " A" and resid 81 and name ha ) ( segid " A" and resid 81 and name ca ) ( segid " A" and resid 81 and name cb ) ( segid " A" and resid 81 and name Hb ) 8.727 1.004 assign ( segid " A" and resid 85 and name ha ) ( segid " A" and resid 85 and name ca ) ( segid " A" and resid 85 and name cb ) ( segid " A" and resid 85 and name Hb ) 9.196 1.009 assign ( segid " A" and resid 89 and name ha ) ( segid " A" and resid 89 and name ca ) ( segid " A" and resid 89 and name cb ) ( segid " A" and resid 89 and name Hb ) 9.104 1.006
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