NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
16455 |
2a55   |
cing | 1-original | 3 | XPLOR/CNS | dipolar coupling |
!RDC RESTRAINTS
{*** Experiment - NH: IPAP NH-HSQC, J+D=-102.986, J=-92.666, D(unscaled)=-10.320 ***}
assign (resid 2 and name N) (resid 2 and name HN) -10.320 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.516, J=-92.756, D(unscaled)=1.239 ***}
assign (resid 3 and name N) (resid 3 and name HN) 1.239 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.506, J=-92.349, D(unscaled)=-15.157 ***}
assign (resid 7 and name N) (resid 7 and name HN) -15.157 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-96.210, J=-93.566, D(unscaled)=-2.644 ***}
assign (resid 8 and name N) (resid 8 and name HN) -2.644 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.484, J=-92.955, D(unscaled)=3.471 ***}
assign (resid 9 and name N) (resid 9 and name HN) 3.471 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.263, J=-92.979, D(unscaled)=-16.284 ***}
assign (resid 11 and name N) (resid 11 and name HN) -16.284 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-108.868, J=-93.037, D(unscaled)=-15.831 ***}
assign (resid 12 and name N) (resid 12 and name HN) -15.831 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-94.679, J=-92.492, D(unscaled)=-2.187 ***}
assign (resid 22 and name N) (resid 22 and name HN) -2.187 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-98.029, J=-92.876, D(unscaled)=-5.153 ***}
assign (resid 23 and name N) (resid 23 and name HN) -5.153 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-93.392, J=-93.114, D(unscaled)=-0.278 ***}
assign (resid 26 and name N) (resid 26 and name HN) -0.278 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.240, J=-93.424, D(unscaled)=-7.816 ***}
assign (resid 27 and name N) (resid 27 and name HN) -7.816 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.724, J=-93.639, D(unscaled)=-2.085 ***}
assign (resid 29 and name N) (resid 29 and name HN) -2.085 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.903, J=-92.402, D(unscaled)=-19.502 ***}
assign (resid 32 and name N) (resid 32 and name HN) -19.502 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.420, J=-94.333, D(unscaled)=2.913 ***}
assign (resid 34 and name N) (resid 34 and name HN) 2.913 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.295, J=-92.816, D(unscaled)=-14.480 ***}
assign (resid 36 and name N) (resid 36 and name HN) -14.480 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.936, J=-93.454, D(unscaled)=2.518 ***}
assign (resid 37 and name N) (resid 37 and name HN) 2.518 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-94.683, J=-92.237, D(unscaled)=-2.446 ***}
assign (resid 38 and name N) (resid 38 and name HN) -2.446 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-92.818, J=-92.269, D(unscaled)=-0.549 ***}
assign (resid 46 and name N) (resid 46 and name HN) -0.549 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.401, J=-96.182, D(unscaled)=-5.219 ***}
assign (resid 49 and name N) (resid 49 and name HN) -5.219 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-86.915, J=-92.764, D(unscaled)=5.849 ***}
assign (resid 51 and name N) (resid 51 and name HN) 5.849 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.214, J=-94.192, D(unscaled)=-16.022 ***}
assign (resid 52 and name N) (resid 52 and name HN) -16.022 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-99.410, J=-93.453, D(unscaled)=-5.957 ***}
assign (resid 53 and name N) (resid 53 and name HN) -5.957 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-93.354, J=-93.559, D(unscaled)=0.205 ***}
assign (resid 55 and name N) (resid 55 and name HN) 0.205 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-100.442, J=-93.578, D(unscaled)=-6.863 ***}
assign (resid 56 and name N) (resid 56 and name HN) -6.863 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-105.524, J=-93.936, D(unscaled)=-11.589 ***}
assign (resid 63 and name N) (resid 63 and name HN) -11.589 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.837, J=-92.565, D(unscaled)=-21.272 ***}
assign (resid 64 and name N) (resid 64 and name HN) -21.272 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.367, J=-94.182, D(unscaled)=-15.185 ***}
assign (resid 67 and name N) (resid 67 and name HN) -15.185 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-84.274, J=-93.081, D(unscaled)=8.807 ***}
assign (resid 69 and name N) (resid 69 and name HN) 8.807 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.101, J=-92.540, D(unscaled)=-18.561 ***}
assign (resid 70 and name N) (resid 70 and name HN) -18.561 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-88.397, J=-92.721, D(unscaled)=4.323 ***}
assign (resid 71 and name N) (resid 71 and name HN) 4.323 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.675, J=-94.585, D(unscaled)=4.910 ***}
assign (resid 72 and name N) (resid 72 and name HN) 4.910 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.233, J=-93.366, D(unscaled)=-15.867 ***}
assign (resid 73 and name N) (resid 73 and name HN) -15.867 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.753, J=-93.252, D(unscaled)=-17.500 ***}
assign (resid 74 and name N) (resid 74 and name HN) -17.500 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.303, J=-92.745, D(unscaled)=-18.558 ***}
assign (resid 75 and name N) (resid 75 and name HN) -18.558 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-107.813, J=-92.266, D(unscaled)=-15.547 ***}
assign (resid 76 and name N) (resid 76 and name HN) -15.547 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-100.238, J=-93.721, D(unscaled)=-6.517 ***}
assign (resid 77 and name N) (resid 77 and name HN) -6.517 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-89.749, J=-92.736, D(unscaled)=2.987 ***}
assign (resid 80 and name N) (resid 80 and name HN) 2.987 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-99.402, J=-91.451, D(unscaled)=-7.951 ***}
assign (resid 82 and name N) (resid 82 and name HN) -7.951 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.349, J=-93.356, D(unscaled)=-1.993 ***}
assign (resid 83 and name N) (resid 83 and name HN) -1.993 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-87.005, J=-93.810, D(unscaled)=6.806 ***}
assign (resid 85 and name N) (resid 85 and name HN) 6.806 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.084, J=-92.494, D(unscaled)=2.410 ***}
assign (resid 87 and name N) (resid 87 and name HN) 2.410 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-90.481, J=-92.731, D(unscaled)=2.250 ***}
assign (resid 88 and name N) (resid 88 and name HN) 2.250 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-116.603, J=-94.108, D(unscaled)=-22.495 ***}
assign (resid 91 and name N) (resid 91 and name HN) -22.495 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-117.790, J=-93.183, D(unscaled)=-24.607 ***}
assign (resid 92 and name N) (resid 92 and name HN) -24.607 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-111.541, J=-93.968, D(unscaled)=-17.573 ***}
assign (resid 93 and name N) (resid 93 and name HN) -17.573 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.934, J=-92.856, D(unscaled)=-21.078 ***}
assign (resid 95 and name N) (resid 95 and name HN) -21.078 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-86.230, J=-93.476, D(unscaled)=7.246 ***}
assign (resid 96 and name N) (resid 96 and name HN) 7.246 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-110.309, J=-93.305, D(unscaled)=-17.003 ***}
assign (resid 98 and name N) (resid 98 and name HN) -17.003 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.767, J=-93.404, D(unscaled)=-22.363 ***}
assign (resid 99 and name N) (resid 99 and name HN) -22.363 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-112.465, J=-92.465, D(unscaled)=-20.000 ***}
assign (resid 102 and name N) (resid 102 and name HN) -20.000 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-91.012, J=-92.403, D(unscaled)=1.391 ***}
assign (resid 103 and name N) (resid 103 and name HN) 1.391 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-88.398, J=-93.744, D(unscaled)=5.346 ***}
assign (resid 104 and name N) (resid 104 and name HN) 5.346 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-87.221, J=-93.746, D(unscaled)=6.524 ***}
assign (resid 105 and name N) (resid 105 and name HN) 6.524 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-95.391, J=-95.653, D(unscaled)=0.262 ***}
assign (resid 107 and name N) (resid 107 and name HN) 0.262 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.857, J=-91.733, D(unscaled)=-24.124 ***}
assign (resid 108 and name N) (resid 108 and name HN) -24.124 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-101.760, J=-92.633, D(unscaled)=-9.127 ***}
assign (resid 109 and name N) (resid 109 and name HN) -9.127 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-113.822, J=-94.007, D(unscaled)=-19.816 ***}
assign (resid 114 and name N) (resid 114 and name HN) -19.816 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.902, J=-93.333, D(unscaled)=-16.568 ***}
assign (resid 115 and name N) (resid 115 and name HN) -16.568 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-115.367, J=-91.783, D(unscaled)=-23.584 ***}
assign (resid 121 and name N) (resid 121 and name HN) -23.584 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-118.299, J=-92.658, D(unscaled)=-25.640 ***}
assign (resid 122 and name N) (resid 122 and name HN) -25.640 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-114.340, J=-93.992, D(unscaled)=-20.348 ***}
assign (resid 123 and name N) (resid 123 and name HN) -20.348 2
{*** Experiment - NH: IPAP NH-HSQC, J+D=-109.684, J=-93.313, D(unscaled)=-16.371 ***}
assign (resid 124 and name N) (resid 124 and name HN) -16.371 2
{*** NC coupling from resno 3, J+D=-16.168, J=-15.504, D(unscaled)=-0.665 ***}
assign (resid 3 and name N) (resid 2 and name C) -5.537 6.401
{*** NC coupling from resno 7, J+D=-14.259, J=-14.324, D(unscaled)=0.065 ***}
assign (resid 7 and name N) (resid 6 and name C) 0.543 6.401
{*** NC coupling from resno 8, J+D=-16.637, J=-15.372, D(unscaled)=-1.265 ***}
assign (resid 8 and name N) (resid 7 and name C) -10.540 6.401
{*** NC coupling from resno 9, J+D=-13.178, J=-12.753, D(unscaled)=-0.425 ***}
assign (resid 9 and name N) (resid 8 and name C) -3.538 6.401
{*** NC coupling from resno 11, J+D=-15.335, J=-15.700, D(unscaled)=0.365 ***}
assign (resid 11 and name N) (resid 10 and name C) 3.040 6.401
{*** NC coupling from resno 12, J+D=-17.427, J=-16.091, D(unscaled)=-1.336 ***}
assign (resid 12 and name N) (resid 11 and name C) -11.127 6.401
{*** NC coupling from resno 14, J+D=-15.808, J=-14.427, D(unscaled)=-1.380 ***}
assign (resid 14 and name N) (resid 13 and name C) -11.499 6.401
{*** NC coupling from resno 22, J+D=-16.349, J=-15.870, D(unscaled)=-0.478 ***}
assign (resid 22 and name N) (resid 21 and name C) -3.984 6.401
{*** NC coupling from resno 23, J+D=-15.333, J=-14.678, D(unscaled)=-0.655 ***}
assign (resid 23 and name N) (resid 22 and name C) -5.454 6.401
{*** NC coupling from resno 26, J+D=-15.818, J=-15.440, D(unscaled)=-0.379 ***}
assign (resid 26 and name N) (resid 25 and name C) -3.154 6.401
{*** NC coupling from resno 27, J+D=-18.120, J=-16.311, D(unscaled)=-1.809 ***}
assign (resid 27 and name N) (resid 26 and name C) -15.067 6.401
{*** NC coupling from resno 29, J+D=-14.953, J=-14.676, D(unscaled)=-0.277 ***}
assign (resid 29 and name N) (resid 28 and name C) -2.308 6.401
{*** NC coupling from resno 32, J+D=-13.568, J=-15.099, D(unscaled)=1.532 ***}
assign (resid 32 and name N) (resid 31 and name C) 12.758 6.401
{*** NC coupling from resno 34, J+D=-18.812, J=-15.658, D(unscaled)=-3.154 ***}
assign (resid 34 and name N) (resid 33 and name C) -26.273 6.401
{*** NC coupling from resno 36, J+D=-15.645, J=-14.114, D(unscaled)=-1.532 ***}
assign (resid 36 and name N) (resid 35 and name C) -12.758 6.401
{*** NC coupling from resno 37, J+D=-15.281, J=-16.454, D(unscaled)=1.173 ***}
assign (resid 37 and name N) (resid 36 and name C) 9.770 6.401
{*** NC coupling from resno 38, J+D=-16.079, J=-14.438, D(unscaled)=-1.641 ***}
assign (resid 38 and name N) (resid 37 and name C) -13.670 6.401
{*** NC coupling from resno 46, J+D=-15.386, J=-14.975, D(unscaled)=-0.412 ***}
assign (resid 46 and name N) (resid 45 and name C) -3.429 6.401
{*** NC coupling from resno 49, J+D=-16.687, J=-15.801, D(unscaled)=-0.885 ***}
assign (resid 49 and name N) (resid 48 and name C) -7.375 6.401
{*** NC coupling from resno 51, J+D=-16.122, J=-16.303, D(unscaled)=0.181 ***}
assign (resid 51 and name N) (resid 50 and name C) 1.506 6.401
{*** NC coupling from resno 52, J+D=-16.609, J=-16.180, D(unscaled)=-0.429 ***}
assign (resid 52 and name N) (resid 51 and name C) -3.573 6.401
{*** NC coupling from resno 53, J+D=-17.736, J=-16.933, D(unscaled)=-0.804 ***}
assign (resid 53 and name N) (resid 52 and name C) -6.695 6.401
{*** NC coupling from resno 55, J+D=-16.059, J=-14.491, D(unscaled)=-1.568 ***}
assign (resid 55 and name N) (resid 54 and name C) -13.062 6.401
{*** NC coupling from resno 56, J+D=-14.147, J=-15.431, D(unscaled)=1.284 ***}
assign (resid 56 and name N) (resid 55 and name C) 10.697 6.401
{*** NC coupling from resno 57, J+D=-16.564, J=-16.094, D(unscaled)=-0.470 ***}
assign (resid 57 and name N) (resid 56 and name C) -3.914 6.401
{*** NC coupling from resno 58, J+D=-12.539, J=-14.322, D(unscaled)=1.783 ***}
assign (resid 58 and name N) (resid 57 and name C) 14.853 6.401
{*** NC coupling from resno 63, J+D=-13.785, J=-15.488, D(unscaled)=1.703 ***}
assign (resid 63 and name N) (resid 62 and name C) 14.185 6.401
{*** NC coupling from resno 64, J+D=-14.591, J=-14.965, D(unscaled)=0.374 ***}
assign (resid 64 and name N) (resid 63 and name C) 3.117 6.401
{*** NC coupling from resno 67, J+D=-14.477, J=-14.172, D(unscaled)=-0.305 ***}
assign (resid 67 and name N) (resid 66 and name C) -2.544 6.401
{*** NC coupling from resno 69, J+D=-16.657, J=-16.354, D(unscaled)=-0.303 ***}
assign (resid 69 and name N) (resid 68 and name C) -2.522 6.401
{*** NC coupling from resno 70, J+D=-14.551, J=-14.794, D(unscaled)=0.243 ***}
assign (resid 70 and name N) (resid 69 and name C) 2.020 6.401
{*** NC coupling from resno 71, J+D=-16.159, J=-14.538, D(unscaled)=-1.621 ***}
assign (resid 71 and name N) (resid 70 and name C) -13.507 6.401
{*** NC coupling from resno 72, J+D=-13.315, J=-13.419, D(unscaled)=0.105 ***}
assign (resid 72 and name N) (resid 71 and name C) 0.871 6.401
{*** NC coupling from resno 73, J+D=-13.542, J=-14.242, D(unscaled)=0.699 ***}
assign (resid 73 and name N) (resid 72 and name C) 5.825 6.401
{*** NC coupling from resno 74, J+D=-15.451, J=-17.218, D(unscaled)=1.767 ***}
assign (resid 74 and name N) (resid 73 and name C) 14.719 6.401
{*** NC coupling from resno 75, J+D=-16.520, J=-16.353, D(unscaled)=-0.166 ***}
assign (resid 75 and name N) (resid 74 and name C) -1.386 6.401
{*** NC coupling from resno 76, J+D=-14.338, J=-14.474, D(unscaled)=0.135 ***}
assign (resid 76 and name N) (resid 75 and name C) 1.126 6.401
{*** NC coupling from resno 77, J+D=-17.117, J=-14.221, D(unscaled)=-2.896 ***}
assign (resid 77 and name N) (resid 76 and name C) -24.125 6.401
{*** NC coupling from resno 80, J+D=-15.557, J=-15.141, D(unscaled)=-0.416 ***}
assign (resid 80 and name N) (resid 79 and name C) -3.463 6.401
{*** NC coupling from resno 82, J+D=-18.149, J=-15.850, D(unscaled)=-2.299 ***}
assign (resid 82 and name N) (resid 81 and name C) -19.150 6.401
{*** NC coupling from resno 83, J+D=-15.565, J=-15.242, D(unscaled)=-0.323 ***}
assign (resid 83 and name N) (resid 82 and name C) -2.692 6.401
{*** NC coupling from resno 84, J+D=-14.020, J=-14.832, D(unscaled)=0.812 ***}
assign (resid 84 and name N) (resid 83 and name C) 6.764 6.401
{*** NC coupling from resno 85, J+D=-16.326, J=-15.353, D(unscaled)=-0.974 ***}
assign (resid 85 and name N) (resid 84 and name C) -8.110 6.401
{*** NC coupling from resno 87, J+D=-14.868, J=-15.146, D(unscaled)=0.279 ***}
assign (resid 87 and name N) (resid 86 and name C) 2.321 6.401
{*** NC coupling from resno 88, J+D=-14.436, J=-15.015, D(unscaled)=0.579 ***}
assign (resid 88 and name N) (resid 87 and name C) 4.821 6.401
{*** NC coupling from resno 91, J+D=-14.287, J=-14.826, D(unscaled)=0.540 ***}
assign (resid 91 and name N) (resid 90 and name C) 4.495 6.401
{*** NC coupling from resno 92, J+D=-15.570, J=-15.917, D(unscaled)=0.347 ***}
assign (resid 92 and name N) (resid 91 and name C) 2.893 6.401
{*** NC coupling from resno 93, J+D=-17.838, J=-15.632, D(unscaled)=-2.206 ***}
assign (resid 93 and name N) (resid 92 and name C) -18.374 6.401
{*** NC coupling from resno 95, J+D=-15.638, J=-14.931, D(unscaled)=-0.707 ***}
assign (resid 95 and name N) (resid 94 and name C) -5.885 6.401
{*** NC coupling from resno 96, J+D=-15.904, J=-17.453, D(unscaled)=1.549 ***}
assign (resid 96 and name N) (resid 95 and name C) 12.900 6.401
{*** NC coupling from resno 98, J+D=-13.574, J=-14.348, D(unscaled)=0.774 ***}
assign (resid 98 and name N) (resid 97 and name C) 6.448 6.401
{*** NC coupling from resno 99, J+D=-14.638, J=-14.462, D(unscaled)=-0.176 ***}
assign (resid 99 and name N) (resid 98 and name C) -1.465 6.401
{*** NC coupling from resno 102, J+D=-15.034, J=-13.872, D(unscaled)=-1.161 ***}
assign (resid 102 and name N) (resid 101 and name C) -9.673 6.401
{*** NC coupling from resno 103, J+D=-14.970, J=-16.535, D(unscaled)=1.565 ***}
assign (resid 103 and name N) (resid 102 and name C) 13.035 6.401
{*** NC coupling from resno 104, J+D=-14.460, J=-15.655, D(unscaled)=1.196 ***}
assign (resid 104 and name N) (resid 103 and name C) 9.959 6.401
{*** NC coupling from resno 105, J+D=-14.505, J=-16.136, D(unscaled)=1.631 ***}
assign (resid 105 and name N) (resid 104 and name C) 13.586 6.401
{*** NC coupling from resno 107, J+D=-15.909, J=-15.778, D(unscaled)=-0.131 ***}
assign (resid 107 and name N) (resid 106 and name C) -1.088 6.401
{*** NC coupling from resno 108, J+D=-12.499, J=-14.354, D(unscaled)=1.856 ***}
assign (resid 108 and name N) (resid 107 and name C) 15.458 6.401
{*** NC coupling from resno 109, J+D=-17.797, J=-15.016, D(unscaled)=-2.780 ***}
assign (resid 109 and name N) (resid 108 and name C) -23.160 6.401
{*** NC coupling from resno 114, J+D=-18.994, J=-16.206, D(unscaled)=-2.789 ***}
assign (resid 114 and name N) (resid 113 and name C) -23.231 6.401
{*** NC coupling from resno 115, J+D=-14.350, J=-16.621, D(unscaled)=2.271 ***}
assign (resid 115 and name N) (resid 114 and name C) 18.921 6.401
{*** NC coupling from resno 121, J+D=-13.695, J=-14.298, D(unscaled)=0.604 ***}
assign (resid 121 and name N) (resid 120 and name C) 5.030 6.401
{*** NC coupling from resno 122, J+D=-15.624, J=-14.583, D(unscaled)=-1.041 ***}
assign (resid 122 and name N) (resid 121 and name C) -8.672 6.401
{*** NC coupling from resno 123, J+D=-15.979, J=-14.414, D(unscaled)=-1.565 ***}
assign (resid 123 and name N) (resid 122 and name C) -13.040 6.401
{*** NC coupling from resno 124, J+D=-13.086, J=-14.744, D(unscaled)=1.658 ***}
assign (resid 124 and name N) (resid 123 and name C) 13.813 6.401
{*** Experiment - CH: HN(CAHA-J), J+D=164.436, J=144.208, D(unscaled)=20.228 ***}
assign (resid 7 and name CA) (resid 7 and name HA) -10.094 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=130.299, J=140.362, D(unscaled)=-10.064 ***}
assign (resid 11 and name CA) (resid 11 and name HA) 5.022 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=143.570, J=141.819, D(unscaled)=1.751 ***}
assign (resid 22 and name CA) (resid 22 and name HA) -0.874 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=155.420, J=141.343, D(unscaled)=14.077 ***}
assign (resid 24 and name CA) (resid 24 and name HA) -7.024 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=166.395, J=145.117, D(unscaled)=21.278 ***}
assign (resid 28 and name CA) (resid 28 and name HA) -10.618 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=161.929, J=143.545, D(unscaled)=18.385 ***}
assign (resid 48 and name CA) (resid 48 and name HA) -9.174 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=124.637, J=139.998, D(unscaled)=-15.361 ***}
assign (resid 51 and name CA) (resid 51 and name HA) 7.665 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=151.975, J=145.352, D(unscaled)=6.623 ***}
assign (resid 54 and name CA) (resid 54 and name HA) -3.305 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=150.382, J=138.934, D(unscaled)=11.449 ***}
assign (resid 55 and name CA) (resid 55 and name HA) -5.713 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=166.966, J=141.852, D(unscaled)=25.114 ***}
assign (resid 56 and name CA) (resid 56 and name HA) -12.532 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=143.630, J=142.894, D(unscaled)=0.736 ***}
assign (resid 62 and name CA) (resid 62 and name HA) -0.367 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=143.543, J=142.741, D(unscaled)=0.802 ***}
assign (resid 66 and name CA) (resid 66 and name HA) -0.400 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=144.324, J=144.310, D(unscaled)=0.015 ***}
assign (resid 68 and name CA) (resid 68 and name HA) -0.007 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=154.097, J=140.981, D(unscaled)=13.116 ***}
assign (resid 70 and name CA) (resid 70 and name HA) -6.545 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=135.880, J=141.536, D(unscaled)=-5.657 ***}
assign (resid 72 and name CA) (resid 72 and name HA) 2.823 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=124.886, J=135.507, D(unscaled)=-10.621 ***}
assign (resid 73 and name CA) (resid 73 and name HA) 5.300 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=167.568, J=142.045, D(unscaled)=25.523 ***}
assign (resid 76 and name CA) (resid 76 and name HA) -12.736 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=135.108, J=135.402, D(unscaled)=-0.294 ***}
assign (resid 81 and name CA) (resid 81 and name HA) 0.147 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=188.881, J=140.794, D(unscaled)=48.087 ***}
assign (resid 92 and name CA) (resid 92 and name HA) -23.995 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=189.487, J=142.820, D(unscaled)=46.667 ***}
assign (resid 94 and name CA) (resid 94 and name HA) -23.287 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=129.946, J=143.930, D(unscaled)=-13.984 ***}
assign (resid 96 and name CA) (resid 96 and name HA) 6.978 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=155.382, J=148.613, D(unscaled)=6.769 ***}
assign (resid 106 and name CA) (resid 106 and name HA) -3.378 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=173.095, J=140.144, D(unscaled)=32.951 ***}
assign (resid 113 and name CA) (resid 113 and name HA) -16.442 3.11
{*** Experiment - CH: HN(CAHA-J), J+D=181.306, J=141.024, D(unscaled)=40.282 ***}
assign (resid 123 and name CA) (resid 123 and name HA) -20.101 3.11
{*** CC coupling from resno 3, J+D=52.608, J=50.141, D(unscaled)=2.467 ***}
assign (resid 2 and name CA) (resid 2 and name C) -12.458 6.97
{*** CC coupling from resno 7, J+D=51.012, J=52.682, D(unscaled)=-1.670 ***}
assign (resid 6 and name CA) (resid 6 and name C) 8.432 6.97
{*** CC coupling from resno 8, J+D=52.568, J=52.241, D(unscaled)=0.327 ***}
assign (resid 7 and name CA) (resid 7 and name C) -1.651 6.97
{*** CC coupling from resno 12, J+D=55.890, J=53.041, D(unscaled)=2.849 ***}
assign (resid 11 and name CA) (resid 11 and name C) -14.387 6.97
{*** CC coupling from resno 14, J+D=55.177, J=54.067, D(unscaled)=1.109 ***}
assign (resid 13 and name CA) (resid 13 and name C) -5.601 6.97
{*** CC coupling from resno 15, J+D=52.269, J=53.083, D(unscaled)=-0.814 ***}
assign (resid 14 and name CA) (resid 14 and name C) 4.110 6.97
{*** CC coupling from resno 23, J+D=57.257, J=52.447, D(unscaled)=4.811 ***}
assign (resid 22 and name CA) (resid 22 and name C) -24.293 6.97
{*** CC coupling from resno 25, J+D=52.398, J=52.814, D(unscaled)=-0.415 ***}
assign (resid 24 and name CA) (resid 24 and name C) 2.098 6.97
{*** CC coupling from resno 29, J+D=49.622, J=53.239, D(unscaled)=-3.617 ***}
assign (resid 28 and name CA) (resid 28 and name C) 18.265 6.97
{*** CC coupling from resno 34, J+D=45.295, J=52.058, D(unscaled)=-6.763 ***}
assign (resid 33 and name CA) (resid 33 and name C) 34.151 6.97
{*** CC coupling from resno 39, J+D=49.281, J=52.301, D(unscaled)=-3.020 ***}
assign (resid 38 and name CA) (resid 38 and name C) 15.251 6.97
{*** CC coupling from resno 47, J+D=50.750, J=53.990, D(unscaled)=-3.239 ***}
assign (resid 46 and name CA) (resid 46 and name C) 16.359 6.97
{*** CC coupling from resno 49, J+D=55.587, J=54.986, D(unscaled)=0.601 ***}
assign (resid 48 and name CA) (resid 48 and name C) -3.033 6.97
{*** CC coupling from resno 51, J+D=55.027, J=52.786, D(unscaled)=2.241 ***}
assign (resid 50 and name CA) (resid 50 and name C) -11.316 6.97
{*** CC coupling from resno 52, J+D=55.624, J=53.224, D(unscaled)=2.400 ***}
assign (resid 51 and name CA) (resid 51 and name C) -12.122 6.97
{*** CC coupling from resno 53, J+D=51.221, J=53.616, D(unscaled)=-2.395 ***}
assign (resid 52 and name CA) (resid 52 and name C) 12.095 6.97
{*** CC coupling from resno 55, J+D=49.454, J=51.150, D(unscaled)=-1.696 ***}
assign (resid 54 and name CA) (resid 54 and name C) 8.565 6.97
{*** CC coupling from resno 56, J+D=53.186, J=53.848, D(unscaled)=-0.662 ***}
assign (resid 55 and name CA) (resid 55 and name C) 3.345 6.97
{*** CC coupling from resno 57, J+D=48.508, J=52.985, D(unscaled)=-4.476 ***}
assign (resid 56 and name CA) (resid 56 and name C) 22.605 6.97
{*** CC coupling from resno 67, J+D=49.200, J=51.429, D(unscaled)=-2.229 ***}
assign (resid 66 and name CA) (resid 66 and name C) 11.255 6.97
{*** CC coupling from resno 69, J+D=54.377, J=54.165, D(unscaled)=0.213 ***}
assign (resid 68 and name CA) (resid 68 and name C) -1.074 6.97
{*** CC coupling from resno 70, J+D=50.830, J=52.155, D(unscaled)=-1.325 ***}
assign (resid 69 and name CA) (resid 69 and name C) 6.692 6.97
{*** CC coupling from resno 71, J+D=53.865, J=52.830, D(unscaled)=1.035 ***}
assign (resid 70 and name CA) (resid 70 and name C) -5.226 6.97
{*** CC coupling from resno 72, J+D=50.002, J=52.647, D(unscaled)=-2.644 ***}
assign (resid 71 and name CA) (resid 71 and name C) 13.354 6.97
{*** CC coupling from resno 73, J+D=55.256, J=52.972, D(unscaled)=2.284 ***}
assign (resid 72 and name CA) (resid 72 and name C) -11.533 6.97
{*** CC coupling from resno 74, J+D=54.690, J=54.327, D(unscaled)=0.363 ***}
assign (resid 73 and name CA) (resid 73 and name C) -1.835 6.97
{*** CC coupling from resno 77, J+D=52.261, J=53.340, D(unscaled)=-1.080 ***}
assign (resid 76 and name CA) (resid 76 and name C) 5.452 6.97
{*** CC coupling from resno 82, J+D=51.576, J=53.271, D(unscaled)=-1.695 ***}
assign (resid 81 and name CA) (resid 81 and name C) 8.561 6.97
{*** CC coupling from resno 83, J+D=46.049, J=53.554, D(unscaled)=-7.505 ***}
assign (resid 82 and name CA) (resid 82 and name C) 37.899 6.97
{*** CC coupling from resno 93, J+D=49.649, J=51.904, D(unscaled)=-2.256 ***}
assign (resid 92 and name CA) (resid 92 and name C) 11.390 6.97
{*** CC coupling from resno 95, J+D=51.935, J=52.831, D(unscaled)=-0.896 ***}
assign (resid 94 and name CA) (resid 94 and name C) 4.526 6.97
{*** CC coupling from resno 96, J+D=50.004, J=52.286, D(unscaled)=-2.281 ***}
assign (resid 95 and name CA) (resid 95 and name C) 11.521 6.97
{*** CC coupling from resno 98, J+D=51.235, J=52.944, D(unscaled)=-1.709 ***}
assign (resid 97 and name CA) (resid 97 and name C) 8.631 6.97
{*** CC coupling from resno 100, J+D=53.804, J=53.091, D(unscaled)=0.714 ***}
assign (resid 99 and name CA) (resid 99 and name C) -3.605 6.97
{*** CC coupling from resno 103, J+D=49.353, J=54.096, D(unscaled)=-4.743 ***}
assign (resid 102 and name CA) (resid 102 and name C) 23.954 6.97
{*** CC coupling from resno 104, J+D=56.174, J=52.972, D(unscaled)=3.202 ***}
assign (resid 103 and name CA) (resid 103 and name C) -16.169 6.97
{*** CC coupling from resno 107, J+D=51.422, J=54.577, D(unscaled)=-3.154 ***}
assign (resid 106 and name CA) (resid 106 and name C) 15.930 6.97
{*** CC coupling from resno 109, J+D=51.462, J=53.290, D(unscaled)=-1.828 ***}
assign (resid 108 and name CA) (resid 108 and name C) 9.234 6.97
{*** CC coupling from resno 115, J+D=49.655, J=51.502, D(unscaled)=-1.847 ***}
assign (resid 114 and name CA) (resid 114 and name C) 9.329 6.97
{*** CC coupling from resno 123, J+D=48.771, J=52.817, D(unscaled)=-4.046 ***}
assign (resid 122 and name CA) (resid 122 and name C) 20.433 6.97
{*** CC coupling from resno 124, J+D=52.688, J=52.715, D(unscaled)=-0.027 ***}
assign (resid 123 and name CA) (resid 123 and name C) 0.134 6.97
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