NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
489854 |
2l0g   |
cing | 1-original | 2 | AMBER | distance | NOE | ambi |
#
# 14 TYR HN 0 AMB 65-1:0 4.50 (# 0:65 Single Ambig)
&rst
ixpk= 0, nxpk= 65, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr2= 217, 208,
&end
#
# 21 GLN HE2+ 14 TYR HD1 3.50 (# 1:65 Unique 2.46, 3.51 A)
&rst
ixpk= 1, nxpk= 65, iat= -1, 208, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
igr1= 322, 323,
&end
#
# 14 TYR HA 14 TYR HD1 2.80 (# 2:65 Unique 1.96, 1.96 A)
&rst
ixpk= 2, nxpk= 65, iat= 202, 208, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30, &end
#
# 11 GLN HA 14 TYR HD2 4.50 (# 3:65 Unique 2.90, 3.00 A)
&rst
ixpk= 3, nxpk= 65, iat= 149, 217, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 65-3:4 0 AMB 65-1:4 5.50 (# 4:65 Double Ambig)
&rst
ixpk= 4, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 143, 134, 135,
igr2= 217, 208,
&end
#
# 0 AMB 65-3:5 0 AMB 65-1:5 3.50 (# 5:65 Double Ambig)
&rst
ixpk= 5, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
igr1= 204, 205, 204, 205,
igr2= 217, 208,
&end
#
# 14 TYR HB- 0 AMB 65-1:6 2.80 (# 6:65 Single Ambig)
&rst
ixpk= 6, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
igr1= 204, 205,
igr2= 217, 208,
&end
#
# 10 PRO HB+ 14 TYR HD2 4.50 (# 7:65 Unique 2.70, 3.40 A)
&rst
ixpk= 7, nxpk= 65, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 140, 141,
&end
#
# 8 ILE QD1 4 PHE HD2 4.50 (# 9:65 Unique 1.98, 2.78 A)
&rst
ixpk= 9, nxpk= 65, iat= -1, 61, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 115, 116, 117,
&end
#
# 0 AMB 65-3:10 0 AMB 65-1:10 4.50 (# 10:65 Double Ambig)
&rst
ixpk= 10, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 49, 50, 49, 50,
igr2= 53, 61,
&end
#
# 4 PHE HB- 0 AMB 65-1:11 3.50 (# 11:65 Single Ambig)
&rst
ixpk= 11, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 49, 50,
igr2= 53, 61,
&end
#
# 0 AMB 65-3:12 0 AMB 65-1:12 5.50 (# 12:65 Double Ambig)
&rst
ixpk= 12, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 184, 185, 184, 185, 184, 185,
igr2= 194, 190,
&end
#
# 4 PHE HA 4 PHE HD2 4.50 (# 13:65 Unique 2.15, 2.18 A)
&rst
ixpk= 13, nxpk= 65, iat= 47, 61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HZ3 4 PHE HD2 4.50 (# 14:65 Unique 2.66, 2.78 A)
&rst
ixpk= 14, nxpk= 65, iat= 444, 61, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 65-3:15 13 PHE HD1 3.50 (# 15:65 Single Ambig)
&rst
ixpk= 15, nxpk= 65, iat= -1, 188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 115, 116, 117, 373, 374, 375, 377, 378, 379,
&end
#
# 0 AMB 65-3:16 0 AMB 65-1:16 3.50 (# 16:65 Double Ambig)
&rst
ixpk= 16, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
igr1= 184, 185, 184, 185, 184, 185,
igr2= 196, 188,
&end
#
# 13 PHE HA 0 AMB 65-1:17 4.50 (# 17:65 Single Ambig)
&rst
ixpk= 17, nxpk= 65, iat= 182, -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr2= 188, 196,
&end
#
# 4 PHE HN 0 AMB 65-1:18 5.50 (# 18:65 Single Ambig)
&rst
ixpk= 18, nxpk= 65, iat= 45, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 53, 61,
&end
#
# 0 AMB 65-3:19 13 PHE HE1 3.50 (# 19:65 Single Ambig)
&rst
ixpk= 19, nxpk= 65, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 373, 374, 375, 377, 378, 379, 115, 116, 117,
&end
#
# 24 LEU HB+ 13 PHE HE1 4.50 (# 20:65 Unique 2.03, 2.48 A)
&rst
ixpk= 20, nxpk= 65, iat= -1, 190, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 368, 369,
&end
#
# 0 AMB 65-3:21 13 PHE HE2 4.50 (# 21:65 Single Ambig)
&rst
ixpk= 21, nxpk= 65, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 390, 317, 318,
&end
#
# 21 GLN HA 0 AMB 65-1:22 5.50 (# 22:65 Single Ambig)
&rst
ixpk= 22, nxpk= 65, iat= 312, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 194, 190,
&end
#
# 0 AMB 65-3:23 0 AMB 65-1:23 5.50 (# 23:65 Double Ambig)
&rst
ixpk= 23, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 385, 182,
igr2= 194, 190,
&end
#
# 24 LEU HB+ 13 PHE HZ 4.50 (# 25:65 Unique 1.99, 2.16 A)
&rst
ixpk= 25, nxpk= 65, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 368, 369,
&end
#
# 0 AMB 65-3:26 13 PHE HZ 3.50 (# 26:65 Single Ambig)
&rst
ixpk= 26, nxpk= 65, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
igr1= 390, 317, 318,
&end
#
# 0 AMB 65-3:27 13 PHE HZ 4.50 (# 27:65 Single Ambig)
&rst
ixpk= 27, nxpk= 65, iat= -1, 192, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 314, 315, 353, 354, 416, 417,
&end
#
# 21 GLN HA 13 PHE HZ 4.50 (# 28:65 Unique 2.73, 2.84 A)
&rst
ixpk= 28, nxpk= 65, iat= 312, 192, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 25 LEU HN 13 PHE HZ 5.50 (# 29:65 Unique 2.49, 2.75 A)
&rst
ixpk= 29, nxpk= 65, iat= 383, 192, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 28 TRP HE1 28 TRP HD1 3.50 (# 30:65 Unique 2.57, 2.57 A)
&rst
ixpk= 30, nxpk= 65, iat= 437, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 0 AMB 65-3:31 28 TRP HD1 5.50 (# 31:65 Single Ambig)
&rst
ixpk= 31, nxpk= 65, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379,
&end
#
# 0 AMB 65-3:32 28 TRP HD1 5.50 (# 32:65 Single Ambig)
&rst
ixpk= 32, nxpk= 65, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
igr1= 419, 420, 419, 420,
&end
#
# 0 AMB 65-3:33 28 TRP HD1 3.50 (# 33:65 Single Ambig)
&rst
ixpk= 33, nxpk= 65, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 28 TRP HA 28 TRP HD1 3.50 (# 34:65 Unique 2.06, 2.15 A)
&rst
ixpk= 34, nxpk= 65, iat= 429, 435, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00, &end
#
# 28 TRP HN 28 TRP HD1 4.50 (# 35:65 Unique 3.59, 3.78 A)
&rst
ixpk= 35, nxpk= 65, iat= 427, 435, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 65-3:36 28 TRP HH2 3.50 (# 36:65 Single Ambig)
&rst
ixpk= 36, nxpk= 65, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 115, 116, 117, 373, 374, 375, 377, 378, 379, 373,
374, 375, 377, 378, 379,
&end
#
# 0 AMB 65-3:37 28 TRP HD1 4.50 (# 37:65 Single Ambig)
&rst
ixpk= 37, nxpk= 65, iat= -1, 435, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 416, 417, 416, 417, 72, 73,
&end
#
# 24 LEU HB+ 28 TRP HH2 5.50 (# 38:65 Unique 3.03, 4.28 A)
&rst
ixpk= 38, nxpk= 65, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 368, 369,
&end
#
# 0 AMB 65-3:39 28 TRP HH2 5.50 (# 39:65 Single Ambig)
&rst
ixpk= 39, nxpk= 65, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 184, 185, 184, 185, 49, 50,
&end
#
# 0 AMB 65-3:40 28 TRP HZ3 4.50 (# 40:65 Single Ambig)
&rst
ixpk= 40, nxpk= 65, iat= -1, 444, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
igr1= 392, 393, 394, 396, 397, 398, 373, 374, 375, 377,
378, 379,
&end
#
# 25 LEU HA 28 TRP HE3 4.50 (# 41:65 Unique 2.05, 2.74 A)
&rst
ixpk= 41, nxpk= 65, iat= 385, 446, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 28 TRP HE3 28 TRP HZ3 5.50 (# 42:65 Unique 2.46, 2.46 A)
&rst
ixpk= 42, nxpk= 65, iat= 446, 444, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 65-3:43 0 AMB 65-1:43 4.50 (# 43:65 Double Ambig)
&rst
ixpk= 43, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 39, 40, 41, 137, 138,
igr2= 210, 215,
&end
#
# 14 TYR HA 0 AMB 65-1:44 5.50 (# 44:65 Single Ambig)
&rst
ixpk= 44, nxpk= 65, iat= 202, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 210, 215,
&end
#
# 28 TRP HE1 28 TRP HZ2 4.50 (# 45:65 Unique 2.82, 2.82 A)
&rst
ixpk= 45, nxpk= 65, iat= 437, 440, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 0 AMB 65-3:46 28 TRP HZ2 3.50 (# 46:65 Single Ambig)
&rst
ixpk= 46, nxpk= 65, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
igr1= 373, 374, 375, 377, 378, 379, 373, 374, 375, 377,
378, 379, 115, 116, 117,
&end
#
# 0 AMB 65-3:47 28 TRP HZ2 5.50 (# 47:65 Single Ambig)
&rst
ixpk= 47, nxpk= 65, iat= -1, 440, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 72, 73, 106,
&end
#
# 10 PRO HB- 14 TYR HD2 4.50 (# 48:65 Unique 2.70, 3.40 A)
&rst
ixpk= 48, nxpk= 65, iat= -1, 217, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
igr1= 140, 141,
&end
#
# 10 PRO HA 0 AMB 65-1:49 5.50 (# 49:65 Single Ambig)
&rst
ixpk= 49, nxpk= 65, iat= 143, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 53, 61,
&end
#
# 14 TYR HN 0 AMB 65-1:50 5.50 (# 50:65 Single Ambig)
&rst
ixpk= 50, nxpk= 65, iat= 200, -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr2= 196, 188,
&end
#
# 14 TYR HA 13 PHE HD2 5.50 (# 51:65 Unique 3.42, 3.54 A)
&rst
ixpk= 51, nxpk= 65, iat= 202, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 0 AMB 65-3:52 0 AMB 65-1:52 5.50 (# 52:65 Double Ambig)
&rst
ixpk= 52, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
igr1= 240, 241, 368, 369, 240, 241,
igr2= 196, 188,
&end
#
# 25 LEU QD- 13 PHE HE2 4.50 (# 53:65 Unique 2.52, 3.74 A)
&rst
ixpk= 53, nxpk= 65, iat= -1, 194, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 8 ILE QD1 4 PHE HE2 4.50 (# 54:65 Unique 2.60, 3.03 A)
&rst
ixpk= 54, nxpk= 65, iat= -1, 59, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 115, 116, 117,
&end
#
# 10 PRO HG+ 4 PHE HE1 5.50 (# 55:65 Unique 6.11, 6.43 A)
&rst
ixpk= 55, nxpk= 65, iat= -1, 55, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 137, 138,
&end
#
# 0 AMB 65-3:56 0 AMB 65-1:56 4.50 (# 56:65 Double Ambig)
&rst
ixpk= 56, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
igr1= 184, 185, 184, 185,
igr2= 59, 55,
&end
#
# 10 PRO HA 4 PHE HE1 5.50 (# 57:65 Unique 3.13, 3.25 A)
&rst
ixpk= 57, nxpk= 65, iat= 143, 55, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00, &end
#
# 25 LEU QD+ 28 TRP HE3 4.50 (# 58:65 Unique 2.25, 5.09 A)
&rst
ixpk= 58, nxpk= 65, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 65-3:59 28 TRP HE3 5.50 (# 59:65 Single Ambig)
&rst
ixpk= 59, nxpk= 65, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 387, 388, 69, 70, 69, 70,
&end
#
# 0 AMB 65-3:60 28 TRP HE3 3.50 (# 60:65 Single Ambig)
&rst
ixpk= 60, nxpk= 65, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
igr1= 431, 432, 431, 432,
&end
#
# 0 AMB 65-3:61 14 TYR HE2 5.50 (# 61:65 Single Ambig)
&rst
ixpk= 61, nxpk= 65, iat= -1, 215, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
igr1= 143, 134, 135,
&end
#
# 25 LEU QD- 14 TYR HE1 5.50 (# 62:65 Unique 5.51, 7.10 A)
&rst
ixpk= 62, nxpk= 65, iat= -1, 210, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
igr1= 392, 393, 394, 396, 397, 398,
&end
#
# 0 AMB 65-3:63 0 AMB 65-1:63 5.50 (# 63:65 Double Ambig)
&rst
ixpk= 63, nxpk= 65, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.78, r4= 8.28,
igr1= 204, 205, 204, 205,
igr2= 215, 210,
&end
#
# 0 AMB 65-3:64 28 TRP HH2 5.50 (# 64:65 Single Ambig)
&rst
ixpk= 64, nxpk= 65, iat= -1, 442, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 385, 182,
&end
#
# 0 AMB 65-3:65 28 TRP HE3 7.00 (# 65:65 Single Ambig)
&rst
ixpk= 65, nxpk= 65, iat= -1, 446, r1= 1.30, r2= 1.80, r3= 9.68, r4=10.18,
igr1= 390, 455, 456, 455, 456, 32, 33,
&end
#
# 13 PHE HB+ 4 PHE HZ 5.50 (# 66:65 Unique 2.49, 3.08 A)
&rst
ixpk= 66, nxpk= 65, iat= -1, 57, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
igr1= 184, 185,
&end
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