NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
|
|
5033 |
1ga3   |
4843 | cing | recoord | 1-original | 1 | XPLOR/CNS | dihedral angle |
assign (resid 6 and name c) (resid 7 and name n)
(resid 7 and name ca) (resid 7 and name c) 1.0 -71.00 15.00 2
assign (resid 7 and name n) (resid 7 and name ca)
(resid 7 and name c) (resid 8 and name n) 1.0 -27.00 21.00 2
assign (resid 7 and name c) (resid 8 and name n)
(resid 8 and name ca) (resid 8 and name c) 1.0 -61.27 4.47 2
assign (resid 8 and name n) (resid 8 and name ca)
(resid 8 and name c) (resid 9 and name n) 1.0 -42.68 6.13 2
assign (resid 8 and name c) (resid 9 and name n)
(resid 9 and name ca) (resid 9 and name c) 1.0 -62.17 5.85 2
assign (resid 9 and name n) (resid 9 and name ca)
(resid 9 and name c) (resid 10 and name n) 1.0 -39.13 6.82 2
assign (resid 9 and name c) (resid 10 and name n)
(resid 10 and name ca) (resid 10 and name c) 1.0 -63.53 3.95 2
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name c) (resid 11 and name n) 1.0 -42.24 5.79 2
assign (resid 10 and name c) (resid 11 and name n)
(resid 11 and name ca) (resid 11 and name c) 1.0 -64.00 7.00 2
assign (resid 11 and name n) (resid 11 and name ca)
(resid 11 and name c) (resid 12 and name n) 1.0 -44.00 7.00 2
assign (resid 11 and name c) (resid 12 and name n)
(resid 12 and name ca) (resid 12 and name c) 1.0 -64.00 7.00 2
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name c) (resid 13 and name n) 1.0 -44.00 8.00 2
assign (resid 12 and name c) (resid 13 and name n)
(resid 13 and name ca) (resid 13 and name c) 1.0 -63.68 3.09 2
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name c) (resid 14 and name n) 1.0 -40.27 7.79 2
assign (resid 13 and name c) (resid 14 and name n)
(resid 14 and name ca) (resid 14 and name c) 1.0 -62.91 4.82 2
assign (resid 14 and name n) (resid 14 and name ca)
(resid 14 and name c) (resid 15 and name n) 1.0 -44.77 7.39 2
assign (resid 14 and name c) (resid 15 and name n)
(resid 15 and name ca) (resid 15 and name c) 1.0 -60.18 7.73 2
assign (resid 15 and name n) (resid 15 and name ca)
(resid 15 and name c) (resid 16 and name n) 1.0 -42.74 8.35 2
assign (resid 15 and name c) (resid 16 and name n)
(resid 16 and name ca) (resid 16 and name c) 1.0 -62.13 5.43 2
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name c) (resid 17 and name n) 1.0 -42.55 6.98 2
assign (resid 16 and name c) (resid 17 and name n)
(resid 17 and name ca) (resid 17 and name c) 1.0 -66.47 5.60 2
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name c) (resid 18 and name n) 1.0 -43.14 2.70 2
assign (resid 17 and name c) (resid 18 and name n)
(resid 18 and name ca) (resid 18 and name c) 1.0 -64.62 4.91 2
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name c) (resid 19 and name n) 1.0 -43.92 4.02 2
assign (resid 18 and name c) (resid 19 and name n)
(resid 19 and name ca) (resid 19 and name c) 1.0 -58.26 6.16 2
assign (resid 19 and name n) (resid 19 and name ca)
(resid 19 and name c) (resid 20 and name n) 1.0 -41.75 7.41 2
assign (resid 19 and name c) (resid 20 and name n)
(resid 20 and name ca) (resid 20 and name c) 1.0 -70.05 14.17 2
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name c) (resid 21 and name n) 1.0 -25.85 10.00 2
assign (resid 20 and name c) (resid 21 and name n)
(resid 21 and name ca) (resid 21 and name c) 1.0 -91.00 9.00 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name c) (resid 22 and name n) 1.0 -17.00 18.00 2
assign (resid 33 and name c) (resid 34 and name n)
(resid 34 and name ca) (resid 34 and name c) 1.0 -128.00 21.00 2
assign (resid 34 and name n) (resid 34 and name ca)
(resid 34 and name c) (resid 35 and name n) 1.0 156.00 12.00 2
assign (resid 42 and name c) (resid 43 and name n)
(resid 43 and name ca) (resid 43 and name c) 1.0 -63.66 5.40 2
assign (resid 43 and name n) (resid 43 and name ca)
(resid 43 and name c) (resid 44 and name n) 1.0 -37.00 11.62 2
assign (resid 43 and name c) (resid 44 and name n)
(resid 44 and name ca) (resid 44 and name c) 1.0 -62.11 8.63 2
assign (resid 44 and name n) (resid 44 and name ca)
(resid 44 and name c) (resid 45 and name n) 1.0 -40.46 9.14 2
assign (resid 44 and name c) (resid 45 and name n)
(resid 45 and name ca) (resid 45 and name c) 1.0 -65.53 3.46 2
assign (resid 45 and name n) (resid 45 and name ca)
(resid 45 and name c) (resid 46 and name n) 1.0 -35.00 7.77 2
assign (resid 45 and name c) (resid 46 and name n)
(resid 46 and name ca) (resid 46 and name c) 1.0 -71.75 11.30 2
assign (resid 46 and name n) (resid 46 and name ca)
(resid 46 and name c) (resid 47 and name n) 1.0 -31.66 16.76 2
assign (resid 46 and name c) (resid 47 and name n)
(resid 47 and name ca) (resid 47 and name c) 1.0 -65.53 9.74 2
assign (resid 47 and name n) (resid 47 and name ca)
(resid 47 and name c) (resid 48 and name n) 1.0 -38.89 11.16 2
assign (resid 47 and name c) (resid 48 and name n)
(resid 48 and name ca) (resid 48 and name c) 1.0 -61.71 3.62 2
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name c) (resid 49 and name n) 1.0 -40.88 5.83 2
assign (resid 48 and name c) (resid 49 and name n)
(resid 49 and name ca) (resid 49 and name c) 1.0 -64.06 7.21 2
assign (resid 49 and name n) (resid 49 and name ca)
(resid 49 and name c) (resid 50 and name n) 1.0 -44.19 7.71 2
assign (resid 49 and name c) (resid 50 and name n)
(resid 50 and name ca) (resid 50 and name c) 1.0 -65.26 11.48 2
assign (resid 50 and name n) (resid 50 and name ca)
(resid 50 and name c) (resid 51 and name n) 1.0 -36.78 10.02 2
assign (resid 50 and name c) (resid 51 and name n)
(resid 51 and name ca) (resid 51 and name c) 1.0 -61.33 8.11 2
assign (resid 51 and name n) (resid 51 and name ca)
(resid 51 and name c) (resid 52 and name n) 1.0 -29.64 10.17 2
assign (resid 51 and name c) (resid 52 and name n)
(resid 52 and name ca) (resid 52 and name c) 1.0 -80.18 14.04 2
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name c) (resid 53 and name n) 1.0 -30.91 19.17 2
assign (resid 53 and name c) (resid 54 and name n)
(resid 54 and name ca) (resid 54 and name c) 1.0 -92.00 26.00 2
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name c) (resid 55 and name n) 1.0 120.00 20.00 2
assign (resid 58 and name c) (resid 59 and name n)
(resid 59 and name ca) (resid 59 and name c) 1.0 -71.00 8.00 2
assign (resid 59 and name n) (resid 59 and name ca)
(resid 59 and name c) (resid 60 and name n) 1.0 -19.00 15.00 2
assign (resid 61 and name c) (resid 62 and name n)
(resid 62 and name ca) (resid 62 and name c) 1.0 -64.00 4.00 2
assign (resid 62 and name n) (resid 62 and name ca)
(resid 62 and name c) (resid 63 and name n) 1.0 -43.00 6.00 2
assign (resid 62 and name c) (resid 63 and name n)
(resid 63 and name ca) (resid 63 and name c) 1.0 -64.36 5.90 2
assign (resid 63 and name n) (resid 63 and name ca)
(resid 63 and name c) (resid 64 and name n) 1.0 -45.31 5.95 2
assign (resid 63 and name c) (resid 64 and name n)
(resid 64 and name ca) (resid 64 and name c) 1.0 -65.40 5.51 2
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name c) (resid 65 and name n) 1.0 -38.46 9.29 2
assign (resid 64 and name c) (resid 65 and name n)
(resid 65 and name ca) (resid 65 and name c) 1.0 -65.12 4.51 2
assign (resid 65 and name n) (resid 65 and name ca)
(resid 65 and name c) (resid 66 and name n) 1.0 -40.44 8.55 2
assign (resid 65 and name c) (resid 66 and name n)
(resid 66 and name ca) (resid 66 and name c) 1.0 -64.77 5.33 2
assign (resid 66 and name n) (resid 66 and name ca)
(resid 66 and name c) (resid 67 and name n) 1.0 -44.27 6.54 2
assign (resid 66 and name c) (resid 67 and name n)
(resid 67 and name ca) (resid 67 and name c) 1.0 -62.86 3.87 2
assign (resid 67 and name n) (resid 67 and name ca)
(resid 67 and name c) (resid 68 and name n) 1.0 -43.25 6.14 2
assign (resid 67 and name c) (resid 68 and name n)
(resid 68 and name ca) (resid 68 and name c) 1.0 -67.17 8.96 2
assign (resid 68 and name n) (resid 68 and name ca)
(resid 68 and name c) (resid 69 and name n) 1.0 -39.64 8.76 2
assign (resid 74 and name c) (resid 75 and name n)
(resid 75 and name ca) (resid 75 and name c) 1.0 -110.00 14.00 2
assign (resid 75 and name n) (resid 75 and name ca)
(resid 75 and name c) (resid 76 and name n) 1.0 136.00 13.00 2
assign (resid 75 and name c) (resid 76 and name n)
(resid 76 and name ca) (resid 76 and name c) 1.0 -99.00 27.00 2
assign (resid 76 and name n) (resid 76 and name ca)
(resid 76 and name c) (resid 77 and name n) 1.0 155.00 24.00 2
assign (resid 87 and name c) (resid 88 and name n)
(resid 88 and name ca) (resid 88 and name c) 1.0 -99.00 18.00 2
assign (resid 88 and name n) (resid 88 and name ca)
(resid 88 and name c) (resid 89 and name n) 1.0 129.00 24.00 2
assign (resid 88 and name c) (resid 89 and name n)
(resid 89 and name ca) (resid 89 and name c) 1.0 -101.00 19.00 2
assign (resid 89 and name n) (resid 89 and name ca)
(resid 89 and name c) (resid 90 and name n) 1.0 142.00 21.00 2
assign (resid 89 and name c) (resid 90 and name n)
(resid 90 and name ca) (resid 90 and name c) 1.0 -135.00 9.00 2
assign (resid 90 and name n) (resid 90 and name ca)
(resid 90 and name c) (resid 91 and name n) 1.0 158.00 7.00 2
assign (resid 90 and name c) (resid 91 and name n)
(resid 91 and name ca) (resid 91 and name c) 1.0 -89.13 24.25 2
assign (resid 91 and name n) (resid 91 and name ca)
(resid 91 and name c) (resid 92 and name n) 1.0 136.97 32.12 2
assign (resid 91 and name c) (resid 92 and name n)
(resid 92 and name ca) (resid 92 and name c) 1.0 -60.74 3.93 2
assign (resid 92 and name n) (resid 92 and name ca)
(resid 92 and name c) (resid 93 and name n) 1.0 -44.65 6.73 2
assign (resid 92 and name c) (resid 93 and name n)
(resid 93 and name ca) (resid 93 and name c) 1.0 -59.21 6.42 2
assign (resid 93 and name n) (resid 93 and name ca)
(resid 93 and name c) (resid 94 and name n) 1.0 -41.68 6.30 2
assign (resid 93 and name c) (resid 94 and name n)
(resid 94 and name ca) (resid 94 and name c) 1.0 -63.27 3.40 2
assign (resid 94 and name n) (resid 94 and name ca)
(resid 94 and name c) (resid 95 and name n) 1.0 -42.54 6.14 2
assign (resid 94 and name c) (resid 95 and name n)
(resid 95 and name ca) (resid 95 and name c) 1.0 -60.56 6.10 2
assign (resid 95 and name n) (resid 95 and name ca)
(resid 95 and name c) (resid 96 and name n) 1.0 -41.69 4.81 2
assign (resid 95 and name c) (resid 96 and name n)
(resid 96 and name ca) (resid 96 and name c) 1.0 -62.60 4.98 2
assign (resid 96 and name n) (resid 96 and name ca)
(resid 96 and name c) (resid 97 and name n) 1.0 -46.07 6.84 2
assign (resid 96 and name c) (resid 97 and name n)
(resid 97 and name ca) (resid 97 and name c) 1.0 -59.49 5.93 2
assign (resid 97 and name n) (resid 97 and name ca)
(resid 97 and name c) (resid 98 and name n) 1.0 -40.13 6.42 2
assign (resid 97 and name c) (resid 98 and name n)
(resid 98 and name ca) (resid 98 and name c) 1.0 -61.96 5.08 2
assign (resid 98 and name n) (resid 98 and name ca)
(resid 98 and name c) (resid 99 and name n) 1.0 -42.60 5.47 2
assign (resid 98 and name c) (resid 99 and name n)
(resid 99 and name ca) (resid 99 and name c) 1.0 -64.58 7.48 2
assign (resid 99 and name n) (resid 99 and name ca)
(resid 99 and name c) (resid 100 and name n) 1.0 -42.50 5.91 2
assign (resid 99 and name c) (resid 100 and name n)
(resid 100 and name ca) (resid 100 and name c) 1.0 -62.37 4.43 2
assign (resid 100 and name n) (resid 100 and name ca)
(resid 100 and name c) (resid 101 and name n) 1.0 -39.68 7.64 2
assign (resid 100 and name c) (resid 101 and name n)
(resid 101 and name ca) (resid 101 and name c) 1.0 -63.73 5.32 2
assign (resid 101 and name n) (resid 101 and name ca)
(resid 101 and name c) (resid 102 and name n) 1.0 -42.57 4.61 2
assign (resid 101 and name c) (resid 102 and name n)
(resid 102 and name ca) (resid 102 and name c) 1.0 -64.71 5.42 2
assign (resid 102 and name n) (resid 102 and name ca)
(resid 102 and name c) (resid 103 and name n) 1.0 -44.29 7.47 2
assign (resid 102 and name c) (resid 103 and name n)
(resid 103 and name ca) (resid 103 and name c) 1.0 -62.10 4.27 2
assign (resid 103 and name n) (resid 103 and name ca)
(resid 103 and name c) (resid 104 and name n) 1.0 -42.89 7.30 2
assign (resid 103 and name c) (resid 104 and name n)
(resid 104 and name ca) (resid 104 and name c) 1.0 -62.13 7.34 2
assign (resid 104 and name n) (resid 104 and name ca)
(resid 104 and name c) (resid 105 and name n) 1.0 -41.77 4.42 2
assign (resid 104 and name c) (resid 105 and name n)
(resid 105 and name ca) (resid 105 and name c) 1.0 -61.86 3.10 2
assign (resid 105 and name n) (resid 105 and name ca)
(resid 105 and name c) (resid 106 and name n) 1.0 -42.42 5.28 2
assign (resid 105 and name c) (resid 106 and name n)
(resid 106 and name ca) (resid 106 and name c) 1.0 -63.86 5.44 2
assign (resid 106 and name n) (resid 106 and name ca)
(resid 106 and name c) (resid 107 and name n) 1.0 -42.30 7.53 2
assign (resid 106 and name c) (resid 107 and name n)
(resid 107 and name ca) (resid 107 and name c) 1.0 -62.27 8.15 2
assign (resid 107 and name n) (resid 107 and name ca)
(resid 107 and name c) (resid 108 and name n) 1.0 -40.28 6.43 2
assign (resid 107 and name c) (resid 108 and name n)
(resid 108 and name ca) (resid 108 and name c) 1.0 -68.23 10.33 2
assign (resid 108 and name n) (resid 108 and name ca)
(resid 108 and name c) (resid 109 and name n) 1.0 -29.98 11.77 2
assign (resid 108 and name c) (resid 109 and name n)
(resid 109 and name ca) (resid 109 and name c) 1.0 -86.54 13.42 2
assign (resid 109 and name n) (resid 109 and name ca)
(resid 109 and name c) (resid 110 and name n) 1.0 -4.07 17.16 2
! From hnhb and hn(co)hb
! EZE Note: All rotameric states defined only when the value
! in either the hnhb and/or hn(co)hb was close to or more
! than the average. I believe this is a conservative estimate
! since the average didn't include all the "weak" couplings
! that did not give rise to intensities (i.e. "small" couplings),
! and would thus lower the average.
! Following assignments had to be switched
assign (resid 12 and name n) (resid 12 and name ca)
(resid 12 and name cb) (resid 12 and name cg) 1.0 -60.00 45.00 2
assign (resid 17 and name n) (resid 17 and name ca)
(resid 17 and name cb) (resid 17 and name cg) 1.0 -60.00 45.00 2
assign (resid 33 and name n) (resid 33 and name ca)
(resid 33 and name cb) (resid 33 and name cg) 1.0 -60.00 45.00 2
assign (resid 39 and name n) (resid 39 and name ca)
(resid 39 and name cb) (resid 39 and name cg) 1.0 -60.00 45.00 2
assign (resid 51 and name n) (resid 51 and name ca)
(resid 51 and name cb) (resid 51 and name cg) 1.0 -60.00 45.00 2
assign (resid 64 and name n) (resid 64 and name ca)
(resid 64 and name cb) (resid 64 and name cg) 1.0 -60.00 45.00 2
assign (resid 67 and name n) (resid 67 and name ca)
(resid 67 and name cb) (resid 67 and name cg) 1.0 -60.00 45.00 2
assign (resid 83 and name n) (resid 83 and name ca)
(resid 83 and name cb) (resid 83 and name cg) 1.0 -60.00 45.00 2
assign (resid 89 and name n) (resid 89 and name ca)
(resid 89 and name cb) (resid 89 and name cg) 1.0 -60.00 45.00 2
assign (resid 94 and name n) (resid 94 and name ca)
(resid 94 and name cb) (resid 94 and name cg) 1.0 180.00 45.00 2
assign (resid 98 and name n) (resid 98 and name ca)
(resid 98 and name cb) (resid 98 and name cg) 1.0 -60.00 45.00 2
assign (resid 103 and name n) (resid 103 and name ca)
(resid 103 and name cb) (resid 103 and name cg) 1.0 -60.00 45.00 2
assign (resid 112 and name n) (resid 112 and name ca)
(resid 112 and name cb) (resid 112 and name cg) 1.0 +60.00 45.00 2
! Following assignments did not need to be switched
assign (resid 10 and name n) (resid 10 and name ca)
(resid 10 and name cb) (resid 10 and name cg) 1.0 180.00 45.00 2
assign (resid 13 and name n) (resid 13 and name ca)
(resid 13 and name cb) (resid 13 and name cg) 1.0 180.00 45.00 2
assign (resid 16 and name n) (resid 16 and name ca)
(resid 16 and name cb) (resid 16 and name cg) 1.0 180.00 45.00 2
assign (resid 23 and name n) (resid 23 and name ca)
(resid 23 and name cb) (resid 23 and name cg) 1.0 -60.00 45.00 2
assign (resid 24 and name n) (resid 24 and name ca)
(resid 24 and name cb) (resid 24 and name cg) 1.0 -60.00 45.00 2
assign (resid 35 and name n) (resid 35 and name ca)
(resid 35 and name cb) (resid 35 and name cg) 1.0 -60.00 45.00 2
assign (resid 48 and name n) (resid 48 and name ca)
(resid 48 and name cb) (resid 48 and name cg) 1.0 180.00 45.00 2
assign (resid 53 and name n) (resid 53 and name ca)
(resid 53 and name cb) (resid 53 and name cg) 1.0 -60.00 45.00 2
assign (resid 87 and name n) (resid 87 and name ca)
(resid 87 and name cb) (resid 87 and name cg) 1.0 -60.00 45.00 2
assign (resid 95 and name n) (resid 95 and name ca)
(resid 95 and name cb) (resid 95 and name cg) 1.0 180.00 45.00 2
assign (resid 99 and name n) (resid 99 and name ca)
(resid 99 and name cb) (resid 99 and name cg) 1.0 180.00 45.00 2
assign (resid 100 and name n) (resid 100 and name ca)
(resid 100 and name cb) (resid 100 and name cg) 1.0 180.00 45.00 2
assign (resid 109 and name n) (resid 109 and name ca)
(resid 109 and name cb) (resid 109 and name cg) 1.0 -60.00 45.00 2
assign (resid 111 and name n) (resid 111 and name ca)
(resid 111 and name cb) (resid 111 and name cg) 1.0 -60.00 45.00 2
! Put in since now ya have stereo spec. ass.
! Following were Valines w/zero intensity in either hnhb & hncohb
assign (resid 18 and name n) (resid 18 and name ca)
(resid 18 and name cb) (resid 18 and name cg1) 1.0 180.00 45.00 2
assign (resid 54 and name n) (resid 54 and name ca)
(resid 54 and name cb) (resid 54 and name cg1) 1.0 180.00 45.00 2
! Following were Thr or Ile determined from hnhb & hncohb
assign (resid 20 and name n) (resid 20 and name ca)
(resid 20 and name cb) (resid 20 and name cg1) 1.0 +60.00 45.00 2
assign (resid 21 and name n) (resid 21 and name ca)
(resid 21 and name cb) (resid 21 and name cg2) 1.0 +60.00 45.00 2
assign (resid 52 and name n) (resid 52 and name ca)
(resid 52 and name cb) (resid 52 and name cg1) 1.0 180.00 45.00 2
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