NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
518303 |
2lag   |
16677 | cing | 1-original | 3 | XPLOR/CNS | distance | NOE | ambi |
!!!!! NOE's list from ddnoe_061210_new_sep_lp_unass.xpk !!!!aromatic aliphatic region ! peak 0 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD2*)) 3.722 1.922 1.12 ! peak 1 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD1*)) 3.621 1.821 1.09 ! peak 2 assign (resid 100 and segid A and name HD1) (resid 15 and segid B and name HD1*) 3.706 1.906 2.30 ! peak 46 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD1*)) 3.468 1.668 1.73 assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HD1*) 3.468 1.668 1.73 ! peak 47 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and (name HD2*)) 3.887 2.087 1.94 assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HD2*) 3.887 2.087 1.94 ! peak 16 assign (resid 76 and segid A and name HD2) (resid 153 and segid B and name HD1*) 3.551 1.751 1.06 ! peak 43 assign (resid 76 and segid A and name HD2) (resid 153 and segid B and name HD2*) 2.922 1.122 0.88 ! peak 3 assign (resid 76 and segid A and name HE1) (resid 153 and segid B and name HD2*) 3.925 2.125 1.18 ! peak 49 assign (resid 76 and segid A and name HE1) (resid 153 and segid B and name HD1*) 4.840 3.04 1.45 ! peak 50 assign (resid 76 and segid A and name HE1) (resid 15 and segid B and name HD1*) 4.623 2.823 1.39 ! peak 15 assign (resid 27 and segid B and name HD*) (resid 82 and segid A and name HG1*) 2.940 1.14 0.88 ! peak 14 - give 50% upper bound assign (resid 27 and segid B and name HD*) (resid 80 and segid A and name HG1*) 3.407 1.607 1.70 assign (resid 27 and segid B and name HD*) (resid 52 and segid A and name HD1*) 3.407 1.607 1.70 ! peak 18 - give 50% upper bound assign (resid 27 and segid B and name HD*) (resid 80 and segid A and name HG2*) 2.792 0.992 1.40 assign (resid 27 and segid B and name HD*) (resid 52 and segid A and name HD2*) 2.792 0.992 1.40 ! peak 17 assign (resid 27 and segid B and name HD*) (resid 44 and segid A and name HG2*) 3.460 1.66 1.04 ! peak 10 - give 50% upper bound assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HG1*) 2.768 0.968 1.38 assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HG1*) 2.768 0.968 1.38 ! peak 9 - give 50% upper bound assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HG1*) 3.105 1.305 1.55 assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HD1*) 3.105 1.305 1.55 assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HG1*) 3.105 1.305 1.55 assign (resid 27 and segid B and name HZ) (resid 52 and segid A and name HD1*) 3.105 1.305 1.55 ! peak 8 - give 50% upper bound assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HG2*) 3.614 1.814 1.81 assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HG2*) 3.614 1.814 1.81 ! peak 7 - give 50% upper bound assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HG2*) 2.737 0.937 1.37 assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HD2*) 2.737 0.937 1.37 assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HG2*) 2.737 0.937 1.37 assign (resid 27 and segid B and name HZ) (resid 52 and segid A and name HD2*) 2.737 0.937 1.37 ! peak 4 assign (resid 27 and segid B and name HZ) (resid 44 and segid A and name HG2*) 3.968 2.168 1.20 ! peak 11 assign (resid 27 and segid B and name HE*) (resid 44 and segid A and name HG2*) 3.602 1.802 1.08 !!!!!!!aromatic HB/HA region !peak 24 assign (resid 76 and segid A and name HE1) (resid 11 and segid B and name HB*) 3.541 1.741 1.06 !peak 25 assign (resid 76 and segid A and name HE1) (resid 11 and segid B and name HB*) 4.052 2.252 1.22 !peak 67 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 4.525 2.725 1.36 !peak 29 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 152 and segid B and name HB*) 3.940 2.14 1.18 !peak 31 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HA) 4.158 2.358 1.25 !peak 129 assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 152 and segid B and name HA) 4.478 2.678 1.34 !peak 45 - give 50% upper bound assign (resid 27 and segid B and name HZ) (resid 82 and segid A and name HB) 3.876 2.076 1.94 assign (resid 27 and segid B and name HE*) (resid 82 and segid A and name HB) 3.876 2.076 1.94 assign (resid 27 and segid B and name HE*) (resid 52 and segid A and name HB*) 3.876 2.076 1.94 !peak 34 - give 50% upper bound assign (resid 27 and segid B and name HZ) (resid 80 and segid A and name HB) 4.235 2.435 2.12 assign (resid 27 and segid B and name HE*) (resid 80 and segid A and name HB) 4.235 2.435 2.12 !peak 54 assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HB*) 4.494 2.694 1.35 !peak 28 - give 50% upper bound assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HB*) 4.186 2.386 2.09 assign (resid 27 and segid B and name HZ) (resid 96 and segid A and name HB*) 4.186 2.386 2.09 !peak 64 assign (resid 27 and segid B and name HE*) (resid 96 and segid A and name HA) 4.542 2.742 1.36 !peak 40 assign (resid 76 and segid A and name HD2) (resid 153 and segid B and (name HG or name HB1 or name HB2)) 3.793 1.993 1.14 !peak 41 assign (resid 27 and segid B and name HD*) (resid 82 and segid A and name HB) 4.385 2.585 1.31 !peak 42 assign (resid 76 and segid A and name HD2) (resid 159 and segid B and name HB*) 4.304 2.504 1.29 !peak 26 assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HB*) 3.745 1.945 1.12 !peak 27 assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HB*) 3.819 2.019 1.14 !peak 55 assign (resid 27 and segid B and name HD*) (resid 97 and segid A and name HA) 4.527 2.727 1.36 !peak 63 assign (resid 27 and segid B and name HD*) (resid 96 and segid A and name HA) 4.279 2.479 1.28 !peak 38 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 3.863 2.063 1.93 assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HB*) 3.863 2.063 1.93 !peak 39 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HB*) 4.353 2.553 2.18 assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HB*) 4.353 2.553 2.18 !peak 36 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 148 and segid B and (name HB* or name HE*)) 4.114 2.314 2.06 assign (resid 100 and segid A and name HE3) (resid 148 and segid B and (name HB* or name HE*)) 4.114 2.314 2.06 !peak 37 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 148 and segid B and (name HB* or name HE*)) 4.535 2.735 2.27 assign (resid 100 and segid A and name HE3) (resid 148 and segid B and (name HB* or name HE*)) 4.535 2.735 2.27 !peak 35 assign (resid 100 and segid A and name HE3) (resid 152 and segid B and name HB*) 4.243 2.443 1.27 !peak 33 - give 50% upper bound assign (resid 100 and segid A and (name HZ3 or name HZ2 or name HH2)) (resid 15 and segid B and name HA) 3.793 1.993 2.21 assign (resid 100 and segid A and name HE3) (resid 15 and segid B and name HA) 3.793 1.993 2.21 !!!!!!!HA(left of diagonal)-aliphatic region !peak 58 assign (resid 27 and segid B and name HB*) (resid 96 and segid A and name HA) 4.580 2.78 1.37 !peak 59 assign (resid 27 and segid B and name HB*) (resid 96 and segid A and name HA) 4.607 2.807 1.38 !!!!!!!aliphatic-aliphatic region (upper right quadrant) - only peaks above the diagonal are included, except in cases in which the other peak in of better shape !peak 69 assign (resid 153 and segid B and name HD2*) (resid 76 and segid A and name HB*) 3.796 1.996 1.14 !peak 68 assign (resid 153 and segid B and name HD2*) (resid 76 and segid A and name HB*) 3.762 1.962 1.13 !peak 102 assign (resid 153 and segid B and name HD2*) (resid 74 and segid A and name HB*) 4.330 2.53 1.30 !peak 122 (instead of 123) assign (resid 30 and segid B and name HD*) (resid 52 and segid A and name HD2*) 3.345 1.545 1.00 !peak 72 assign (resid 30 and segid B and name HD*) (resid 44 and segid A and name HG2*) 3.070 1.27 0.92 !peak 73 assign (resid 26 and segid B and name HD*) (resid 48 and segid A and name HG*) 2.868 1.068 2.130 !peak 76 - give 50% upper bound assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 3.041 1.241 1.52 !peak 84 assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 3.105 1.305 0.93 !peak 87 assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) 2.578 0.778 0.77 !peak 96 assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.182 1.382 0.95 !peak 97 assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.447 1.647 1.03 !peak 94 assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.507 1.707 1.05 !peak 95 assign (resid 26 and segid B and name HD*) (resid 46 and segid A and name HG*) 3.546 1.746 1.06 !peak 108 assign (resid 26 and segid B and name HD*) (resid 49 and segid A and name HD*) 3.497 1.697 1.05 !peak 109 assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and name HA) or (resid 49 and segid A and name HD*)) 2.834 1.034 0.85 !peak 110 assign (resid 26 and segid B and name HD*) ((resid 46 and segid A and name HA) or (resid 49 and segid A and name HD*)) 3.200 1.4 0.96 !peak 98 assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HB*) 3.832 2.032 1.15 !peak 101 assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HB*) 3.885 2.085 1.16 !peak 128 assign (resid 80 and segid A and name HG2*) (resid 27 and segid B and name HA) 3.995 2.195 1.20 !peak 127 assign (resid 80 and segid A and name HG2*) (resid 25 and segid B and name HB*) 3.939 2.139 1.18 !peak 125 (instead of 124) assign (resid 80 and segid A and name HG2*) (resid 25 and segid B and name HB*) 3.662 1.862 1.10 !peak 76 - give 50% upper bound assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 30 and segid B and name HD*) or (resid 142 and segid B and name HG*)) 3.041 1.241 1.52 !peak 77 assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) (resid 142 and segid B and name HG*) 2.845 1.045 0.85 !peak 83 (instead of 82) assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) (resid 145 and segid B and name HB*) 3.467 1.667 1.04 !peak 105 assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 22 and segid B and name HD*) or (resid 33 and segid B and name HD*)) 3.297 1.497 1.00 !peak 106 assign ((resid 46 and segid A and (name HB* or name HE*)) or (resid 49 and segid A and (name HB* or name HG*))) ((resid 145 and segid B and name HA) or (resid 27 and segid B and name HA) or (resid 30 and segid B and name HA)) 3.841 2.041 1.15 !peak 120 assign (resid 76 and segid A and name HB*) ((resid 153 and segid B and name HA) or (resid 149 and segid B and name HA)) 4.429 2.629 1.33 !peak 114 assign ((resid 50 and segid A and name HA) or (resid 159 and segid A and name HG*)) ((resid 6 and segid B and name HA) or (resid 30 and segid B and (name HB* or name HG))) 3.344 1.544 1.00 !peak 116 assign (resid 49 and segid A and name HA) (resid 33 and segid B and (name HB* or name HG*)) 3.601 1.801 1.08 !peak 118 assign ((resid 46 and segid A and name HA) or (resid 134 and segid A and name HA)) ((resid 161 and segid B and (name HB* or name HG)) or (resid 26 and segid B and (name HB* or name HG))) 3.475 1.675 1.04
Contact the webmaster for help, if required. Saturday, May 11, 2024 8:33:58 AM GMT (wattos1)