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 |
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27066 |
2ox2   |
cing | 1-original | 1 | AMBER | distance | NOE | simple |
# # AMBER restraint file # data derived from rwfddp_80ms.mdg # Mon Mar 1 17:42:20 2004 # # distance restraint 1 # atom 1: ARG 1 HA # atom 2: ARG 1 HB2 &rst iat= 4, 6, r1= 1.25, r2= 1.75, r3= 4.54, r4= 5.04, rk2= 20, rk3= 20, &end # distance restraint 2 # atom 1: ARG 1 HA # atom 2: ARG 1 HB3 &rst iat= 4, 7, r1= 1.29, r2= 1.79, r3= 4.84, r4= 5.34, rk2= 20, rk3= 20, &end # distance restraint 3 # atom 1: ARG 1 HA # pseudoatom 2: ARG 1 HD2 &rst iat= 4, -1, igr2= 12, 13, 0, r1= 1.20, r2= 1.70, r3= 6.31, r4= 6.81, rk2= 20, rk3= 20, &end # distance restraint 4 # atom 1: ARG 1 HA # pseudoatom 2: ARG 1 HG2 &rst iat= 4, -1, igr2= 9, 10, 0, r1= 0.31, r2= 0.81, r3= 5.49, r4= 5.99, rk2= 20, rk3= 20, &end # distance restraint 5 # atom 1: ARG 1 HA # atom 2: ARG 1 H &rst iat= 4, 2, r1= 1.59, r2= 2.09, r3= 3.69, r4= 4.19, rk2= 20, rk3= 20, &end # distance restraint 6 # atom 1: ARG 1 HA # atom 2: ARG 2 H &rst iat= 4, 26, r1= 1.69, r2= 2.19, r3= 3.79, r4= 4.29, rk2= 20, rk3= 20, &end # distance restraint 7 # atom 1: ARG 1 HB2 # pseudoatom 2: ARG 1 HD2 &rst iat= 6, -1, igr2= 12, 13, 0, r1= 0.60, r2= 1.10, r3= 4.70, r4= 5.20, rk2= 20, rk3= 20, &end # distance restraint 8 # atom 1: ARG 1 HB2 # pseudoatom 2: ARG 1 HG2 &rst iat= 6, -1, igr2= 9, 10, 0, r1= 0.16, r2= 0.66, r3= 4.12, r4= 4.62, rk2= 20, rk3= 20, &end # distance restraint 9 # atom 1: ARG 1 HB3 # atom 2: ARG 1 HB2 &rst iat= 7, 6, r1= 0.72, r2= 1.22, r3= 2.82, r4= 3.32, rk2= 20, rk3= 20, &end # distance restraint 10 # atom 1: ARG 1 HB3 # pseudoatom 2: ARG 1 HD2 &rst iat= 7, -1, igr2= 12, 13, 0, r1= 0.55, r2= 1.05, r3= 4.73, r4= 5.23, rk2= 20, rk3= 20, &end # distance restraint 11 # pseudoatom 1: ARG 1 HD2 # pseudoatom 2: ARG 1 HG2 &rst iat= -1, -1, igr1= 12, 13, 0, igr2= 9, 10, 0, r1= 0.00, r2= 0.00, r3= 5.04, r4= 5.54, rk2= 20, rk3= 20, &end # distance restraint 12 # pseudoatom 1: ARG 1 HD2 # atom 2: ARG 2 H &rst iat= -1, 26, igr1= 12, 13, 0, r1= 2.25, r2= 2.75, r3= 6.13, r4= 6.63, rk2= 20, rk3= 20, &end # distance restraint 13 # pseudoatom 1: ARG 1 HG2 # atom 2: ARG 1 H &rst iat= -1, 2, igr1= 9, 10, 0, r1= 0.82, r2= 1.32, r3= 4.70, r4= 5.20, rk2= 20, rk3= 20, &end # distance restraint 14 # pseudoatom 1: ARG 1 HG2 # atom 2: ARG 2 H &rst iat= -1, 26, igr1= 9, 10, 0, r1= 1.52, r2= 2.02, r3= 5.40, r4= 5.90, rk2= 20, rk3= 20, &end # distance restraint 16 # atom 1: ARG 2 HA # pseudoatom 2: ARG 2 HB2 &rst iat= 28, -1, igr2= 30, 31, 0, r1= 0.30, r2= 0.80, r3= 4.93, r4= 5.43, rk2= 20, rk3= 20, &end # distance restraint 17 # atom 1: ARG 2 HA # pseudoatom 2: ARG 2 HD2 &rst iat= 28, -1, igr2= 36, 37, 0, r1= 0.91, r2= 1.41, r3= 6.48, r4= 6.98, rk2= 20, rk3= 20, &end # distance restraint 18 # atom 1: ARG 2 HA # pseudoatom 2: ARG 2 HG2 &rst iat= 28, -1, igr2= 33, 34, 0, r1= 0.63, r2= 1.13, r3= 5.44, r4= 5.94, rk2= 20, rk3= 20, &end # distance restraint 19 # atom 1: ARG 2 HA # atom 2: ARG 2 H &rst iat= 28, 26, r1= 1.68, r2= 2.18, r3= 3.78, r4= 4.28, rk2= 20, rk3= 20, &end # distance restraint 20 # atom 1: ARG 2 HA # atom 2: TRP 3 H &rst iat= 28, 50, r1= 1.37, r2= 1.87, r3= 3.47, r4= 3.97, rk2= 20, rk3= 20, &end # distance restraint 21 # pseudoatom 1: ARG 2 HB2 # pseudoatom 2: ARG 2 HD2 &rst iat= -1, -1, igr1= 30, 31, 0, igr2= 36, 37, 0, r1= 0.00, r2= 0.11, r3= 5.60, r4= 6.10, rk2= 20, rk3= 20, &end # distance restraint 22 # pseudoatom 1: ARG 2 HB2 # pseudoatom 2: ARG 2 HG2 &rst iat= -1, -1, igr1= 30, 31, 0, igr2= 33, 34, 0, r1= 0.00, r2= 0.00, r3= 5.06, r4= 5.56, rk2= 20, rk3= 20, &end # distance restraint 23 # pseudoatom 1: ARG 2 HB2 # atom 2: ARG 2 H &rst iat= -1, 26, igr1= 30, 31, 0, r1= 1.32, r2= 1.82, r3= 5.20, r4= 5.70, rk2= 20, rk3= 20, &end # distance restraint 24 # pseudoatom 1: ARG 2 HB2 # atom 2: TRP 3 HE3 &rst iat= -1, 69, igr1= 30, 31, 0, r1= 4.07, r2= 4.57, r3= 7.95, r4= 8.45, rk2= 20, rk3= 20, &end # distance restraint 25 # pseudoatom 1: ARG 2 HB2 # atom 2: TRP 3 H &rst iat= -1, 50, igr1= 30, 31, 0, r1= 1.09, r2= 1.59, r3= 5.12, r4= 5.62, rk2= 20, rk3= 20, &end # distance restraint 26 # pseudoatom 1: ARG 2 HB2 # atom 2: TRP 4 HE1 &rst iat= -1, 84, igr1= 30, 31, 0, r1= 1.98, r2= 2.48, r3= 5.86, r4= 6.36, rk2= 20, rk3= 20, &end # distance restraint 27 # pseudoatom 1: ARG 2 HD2 # pseudoatom 2: ARG 2 HG2 &rst iat= -1, -1, igr1= 36, 37, 0, igr2= 33, 34, 0, r1= 0.00, r2= 0.00, r3= 5.25, r4= 5.75, rk2= 20, rk3= 20, &end # distance restraint 28 # pseudoatom 1: ARG 2 HD2 # atom 2: ARG 2 H &rst iat= -1, 26, igr1= 36, 37, 0, r1= 3.41, r2= 3.91, r3= 7.29, r4= 7.79, rk2= 20, rk3= 20, &end # distance restraint 29 # pseudoatom 1: ARG 2 HD2 # atom 2: TRP 3 HD1 &rst iat= -1, 58, igr1= 36, 37, 0, r1= 2.53, r2= 3.03, r3= 6.41, r4= 6.91, rk2= 20, rk3= 20, &end # distance restraint 30 # pseudoatom 1: ARG 2 HD2 # atom 2: TRP 4 HE1 &rst iat= -1, 84, igr1= 36, 37, 0, r1= 1.22, r2= 1.72, r3= 5.10, r4= 5.60, rk2= 20, rk3= 20, &end # distance restraint 31 # pseudoatom 1: ARG 2 HD2 # atom 2: TRP 4 HH2 &rst iat= -1, 89, igr1= 36, 37, 0, r1= 2.79, r2= 3.29, r3= 7.08, r4= 7.58, rk2= 20, rk3= 20, &end # distance restraint 32 # pseudoatom 1: ARG 2 HD2 # atom 2: TRP 4 HZ2 &rst iat= -1, 87, igr1= 36, 37, 0, r1= 1.26, r2= 1.76, r3= 5.26, r4= 5.76, rk2= 20, rk3= 20, &end # distance restraint 33 # pseudoatom 1: ARG 2 HG2 # atom 2: ARG 2 H &rst iat= -1, 26, igr1= 33, 34, 0, r1= 0.88, r2= 1.38, r3= 5.41, r4= 5.91, rk2= 20, rk3= 20, &end # distance restraint 34 # pseudoatom 1: ARG 2 HG2 # atom 2: TRP 3 HD1 &rst iat= -1, 58, igr1= 33, 34, 0, r1= 1.73, r2= 2.23, r3= 6.53, r4= 7.03, rk2= 20, rk3= 20, &end # distance restraint 35 # pseudoatom 1: ARG 2 HG2 # atom 2: TRP 3 HE3 &rst iat= -1, 69, igr1= 33, 34, 0, r1= 3.38, r2= 3.88, r3= 7.51, r4= 8.01, rk2= 20, rk3= 20, &end # distance restraint 36 # pseudoatom 1: ARG 2 HG2 # atom 2: TRP 4 HE1 &rst iat= -1, 84, igr1= 33, 34, 0, r1= 2.24, r2= 2.74, r3= 6.12, r4= 6.62, rk2= 20, rk3= 20, &end # distance restraint 37 # pseudoatom 1: ARG 2 HG2 # atom 2: TRP 3 H &rst iat= -1, 50, igr1= 33, 34, 0, r1= 2.31, r2= 2.81, r3= 6.19, r4= 6.69, rk2= 20, rk3= 20, &end # distance restraint 38 # atom 1: ARG 2 H # atom 2: TRP 3 H &rst iat= 26, 50, r1= 3.13, r2= 3.63, r3= 5.42, r4= 5.92, rk2= 20, rk3= 20, &end # distance restraint 39 # atom 1: TRP 3 HA # atom 2: TRP 3 HB2 &rst iat= 52, 54, r1= 1.39, r2= 1.89, r3= 4.62, r4= 5.12, rk2= 20, rk3= 20, &end # distance restraint 40 # atom 1: TRP 3 HA # atom 2: TRP 3 HB3 &rst iat= 52, 55, r1= 1.44, r2= 1.94, r3= 4.73, r4= 5.23, rk2= 20, rk3= 20, &end # distance restraint 41 # atom 1: TRP 3 HA # atom 2: TRP 3 HE3 &rst iat= 52, 69, r1= 2.10, r2= 2.60, r3= 4.20, r4= 4.70, rk2= 20, rk3= 20, &end # distance restraint 42 # atom 1: TRP 3 HA # atom 2: TRP 3 H &rst iat= 52, 50, r1= 1.45, r2= 1.95, r3= 3.55, r4= 4.05, rk2= 20, rk3= 20, &end # distance restraint 43 # atom 1: TRP 3 HB2 # atom 2: TRP 3 H &rst iat= 54, 50, r1= 1.48, r2= 1.98, r3= 3.58, r4= 4.08, rk2= 20, rk3= 20, &end # distance restraint 44 # atom 1: TRP 3 HB3 # atom 2: TRP 3 H &rst iat= 55, 50, r1= 2.02, r2= 2.52, r3= 4.12, r4= 4.62, rk2= 20, rk3= 20, &end # distance restraint 45 # atom 1: TRP 3 HD1 # atom 2: TRP 3 HE1 &rst iat= 58, 60, r1= 1.24, r2= 1.74, r3= 3.38, r4= 3.88, rk2= 20, rk3= 20, &end # distance restraint 46 # atom 1: TRP 3 HE1 # atom 2: TRP 3 HZ2 &rst iat= 60, 63, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27, rk2= 20, rk3= 20, &end # distance restraint 47 # atom 1: TRP 4 HA # atom 2: TRP 3 HE3 &rst iat= 76, 69, r1= 2.39, r2= 2.89, r3= 4.49, r4= 4.99, rk2= 20, rk3= 20, &end # distance restraint 48 # atom 1: TRP 4 HA # atom 2: TRP 4 HB2 &rst iat= 76, 78, r1= 1.76, r2= 2.26, r3= 5.25, r4= 5.75, rk2= 20, rk3= 20, &end # distance restraint 49 # atom 1: TRP 4 HA # atom 2: TRP 4 HB3 &rst iat= 76, 79, r1= 1.37, r2= 1.87, r3= 4.55, r4= 5.05, rk2= 20, rk3= 20, &end # distance restraint 50 # atom 1: TRP 4 HA # atom 2: TRP 4 H &rst iat= 76, 74, r1= 1.90, r2= 2.40, r3= 4.00, r4= 4.50, rk2= 20, rk3= 20, &end # distance restraint 51 # atom 1: TRP 4 HA # atom 2: PHE 5 H &rst iat= 76, 98, r1= 2.41, r2= 2.91, r3= 4.51, r4= 5.01, rk2= 20, rk3= 20, &end # distance restraint 52 # atom 1: TRP 4 HB2 # atom 2: TRP 3 HE3 &rst iat= 78, 69, r1= 3.74, r2= 4.24, r3= 5.84, r4= 6.34, rk2= 20, rk3= 20, &end # distance restraint 53 # atom 1: TRP 4 HB2 # atom 2: TRP 3 HZ3 &rst iat= 78, 67, r1= 3.96, r2= 4.46, r3= 6.06, r4= 6.56, rk2= 20, rk3= 20, &end # distance restraint 54 # atom 1: TRP 4 HB2 # atom 2: TRP 4 HB3 &rst iat= 78, 79, r1= 0.92, r2= 1.42, r3= 3.02, r4= 3.52, rk2= 20, rk3= 20, &end # distance restraint 55 # atom 1: TRP 4 HB2 # atom 2: TRP 4 H &rst iat= 78, 74, r1= 2.14, r2= 2.64, r3= 4.24, r4= 4.74, rk2= 20, rk3= 20, &end # distance restraint 56 # atom 1: TRP 4 HB2 # pseudoatom 2: PHE 5 HD1 &rst iat= 78, -1, igr2= 106, 114, 0, r1= 1.65, r2= 2.15, r3= 8.07, r4= 8.57, rk2= 20, rk3= 20, &end # distance restraint 57 # atom 1: TRP 4 HB3 # atom 2: TRP 3 HZ3 &rst iat= 79, 67, r1= 2.83, r2= 3.33, r3= 4.93, r4= 5.43, rk2= 20, rk3= 20, &end # distance restraint 58 # atom 1: TRP 4 HB3 # atom 2: PHE 5 H &rst iat= 79, 98, r1= 3.09, r2= 3.59, r3= 5.19, r4= 5.69, rk2= 20, rk3= 20, &end # distance restraint 59 # atom 1: TRP 4 HD1 # atom 2: TRP 3 HD1 &rst iat= 82, 58, r1= 4.13, r2= 4.63, r3= 6.23, r4= 6.73, rk2= 20, rk3= 20, &end # distance restraint 60 # atom 1: TRP 4 HD1 # atom 2: TRP 3 HE1 &rst iat= 82, 60, r1= 4.62, r2= 5.12, r3= 6.72, r4= 7.22, rk2= 20, rk3= 20, &end # distance restraint 61 # atom 1: TRP 4 HD1 # atom 2: TRP 4 HE1 &rst iat= 82, 84, r1= 1.35, r2= 1.85, r3= 3.80, r4= 4.30, rk2= 20, rk3= 20, &end # distance restraint 62 # atom 1: TRP 4 HE1 # atom 2: TRP 4 HZ2 &rst iat= 84, 87, r1= 1.47, r2= 1.97, r3= 3.65, r4= 4.15, rk2= 20, rk3= 20, &end # distance restraint 63 # atom 1: PHE 5 HA # atom 2: PHE 5 HB2 &rst iat= 100, 102, r1= 1.61, r2= 2.11, r3= 3.71, r4= 4.21, rk2= 20, rk3= 20, &end # distance restraint 64 # atom 1: PHE 5 HA # atom 2: PHE 5 HB3 &rst iat= 100, 103, r1= 1.46, r2= 1.96, r3= 3.56, r4= 4.06, rk2= 20, rk3= 20, &end # distance restraint 65 # atom 1: PHE 5 HA # pseudoatom 2: PHE 5 HD1 &rst iat= 100, -1, igr2= 106, 114, 0, r1= 0.00, r2= 0.00, r3= 5.66, r4= 6.16, rk2= 20, rk3= 20, &end # distance restraint 66 # atom 1: PHE 5 HA # atom 2: ARG 6 H &rst iat= 100, 118, r1= 1.58, r2= 2.08, r3= 3.68, r4= 4.18, rk2= 20, rk3= 20, &end # distance restraint 67 # atom 1: PHE 5 HB2 # atom 2: TRP 4 HE3 &rst iat= 102, 93, r1= 2.75, r2= 3.25, r3= 4.85, r4= 5.35, rk2= 20, rk3= 20, &end # distance restraint 68 # atom 1: PHE 5 HB2 # atom 2: PHE 5 HB3 &rst iat= 102, 103, r1= 0.94, r2= 1.44, r3= 3.04, r4= 3.54, rk2= 20, rk3= 20, &end # distance restraint 69 # atom 1: PHE 5 HB2 # pseudoatom 2: PHE 5 HD1 &rst iat= 102, -1, igr2= 106, 114, 0, r1= 0.00, r2= 0.00, r3= 5.89, r4= 6.39, rk2= 20, rk3= 20, &end # distance restraint 70 # atom 1: PHE 5 HB2 # atom 2: PHE 5 H &rst iat= 102, 98, r1= 2.41, r2= 2.91, r3= 4.51, r4= 5.01, rk2= 20, rk3= 20, &end # distance restraint 71 # atom 1: PHE 5 HB3 # atom 2: TRP 4 H &rst iat= 103, 74, r1= 2.18, r2= 2.68, r3= 4.28, r4= 4.78, rk2= 20, rk3= 20, &end # distance restraint 72 # atom 1: PHE 5 HB3 # pseudoatom 2: PHE 5 HD1 &rst iat= 103, -1, igr2= 106, 114, 0, r1= 0.00, r2= 0.00, r3= 5.66, r4= 6.16, rk2= 20, rk3= 20, &end # distance restraint 73 # atom 1: PHE 5 HB3 # pseudoatom 2: PHE 5 HE1 &rst iat= 103, -1, igr2= 108, 112, 0, r1= 0.00, r2= 0.33, r3= 6.25, r4= 6.75, rk2= 20, rk3= 20, &end # distance restraint 74 # pseudoatom 1: PHE 5 HD1 # atom 2: TRP 4 HE1 &rst iat= -1, 84, igr1= 106, 114, 0, r1= 1.14, r2= 1.64, r3= 7.56, r4= 8.06, rk2= 20, rk3= 20, &end # distance restraint 75 # atom 1: ARG 6 HA # atom 2: ARG 1 H &rst iat= 120, 2, r1= 1.80, r2= 2.30, r3= 3.90, r4= 4.40, rk2= 20, rk3= 20, &end # distance restraint 76 # atom 1: ARG 6 HA # pseudoatom 2: PHE 5 HD1 &rst iat= 120, -1, igr2= 106, 114, 0, r1= 1.82, r2= 2.32, r3= 8.24, r4= 8.74, rk2= 20, rk3= 20, &end # distance restraint 77 # atom 1: ARG 6 HA # pseudoatom 2: ARG 6 HB2 &rst iat= 120, -1, igr2= 122, 123, 0, r1= 0.48, r2= 0.98, r3= 4.76, r4= 5.26, rk2= 20, rk3= 20, &end # distance restraint 78 # atom 1: ARG 6 HA # pseudoatom 2: ARG 6 HD2 &rst iat= 120, -1, igr2= 128, 129, 0, r1= 1.31, r2= 1.81, r3= 6.70, r4= 7.20, rk2= 20, rk3= 20, &end # distance restraint 79 # atom 1: ARG 6 HA # pseudoatom 2: ARG 6 HG2 &rst iat= 120, -1, igr2= 125, 126, 0, r1= 0.66, r2= 1.16, r3= 5.18, r4= 5.68, rk2= 20, rk3= 20, &end # distance restraint 80 # atom 1: ARG 6 HA # atom 2: ARG 6 H &rst iat= 120, 118, r1= 1.43, r2= 1.93, r3= 3.53, r4= 4.03, rk2= 20, rk3= 20, &end # distance restraint 81 # pseudoatom 1: ARG 6 HB2 # atom 2: ARG 1 H &rst iat= -1, 2, igr1= 122, 123, 0, r1= 0.79, r2= 1.29, r3= 4.89, r4= 5.39, rk2= 20, rk3= 20, &end # distance restraint 82 # pseudoatom 1: ARG 6 HB2 # pseudoatom 2: PHE 5 HD1 &rst iat= -1, -1, igr1= 122, 123, 0, igr2= 106, 114, 0, r1= 0.21, r2= 0.71, r3= 8.49, r4= 8.99, rk2= 20, rk3= 20, &end # distance restraint 83 # pseudoatom 1: ARG 6 HB2 # pseudoatom 2: PHE 5 HE1 &rst iat= -1, -1, igr1= 122, 123, 0, igr2= 108, 112, 0, r1= 1.25, r2= 1.75, r3= 10.01, r4= 10.51, rk2= 20, rk3= 20, &end # distance restraint 84 # pseudoatom 1: ARG 6 HB2 # pseudoatom 2: ARG 6 HD2 &rst iat= -1, -1, igr1= 122, 123, 0, igr2= 128, 129, 0, r1= 0.00, r2= 0.13, r3= 5.97, r4= 6.47, rk2= 20, rk3= 20, &end # distance restraint 85 # pseudoatom 1: ARG 6 HB2 # atom 2: ARG 6 H &rst iat= -1, 118, igr1= 122, 123, 0, r1= 1.86, r2= 2.36, r3= 6.17, r4= 6.67, rk2= 20, rk3= 20, &end # distance restraint 86 # pseudoatom 1: ARG 6 HD2 # pseudoatom 2: ARG 6 HG2 &rst iat= -1, -1, igr1= 128, 129, 0, igr2= 125, 126, 0, r1= 0.00, r2= 0.16, r3= 5.69, r4= 6.19, rk2= 20, rk3= 20, &end # distance restraint 87 # pseudoatom 1: ARG 6 HD2 # pseudoatom 2: PHE 5 HD1 &rst iat= -1, -1, igr1= 128, 129, 0, igr2= 106, 114, 0, r1= 0.00, r2= 0.00, r3= 7.52, r4= 8.02, rk2= 20, rk3= 20, &end # distance restraint 88 # pseudoatom 1: ARG 6 HD2 # pseudoatom 2: PHE 5 HE1 &rst iat= -1, -1, igr1= 128, 129, 0, igr2= 108, 112, 0, r1= 0.00, r2= 0.00, r3= 7.49, r4= 7.99, rk2= 20, rk3= 20, &end # distance restraint 89 # pseudoatom 1: ARG 6 HG2 # atom 2: PHE 5 HB2 &rst iat= -1, 102, igr1= 125, 126, 0, r1= 3.68, r2= 4.18, r3= 7.56, r4= 8.06, rk2= 20, rk3= 20, &end # distance restraint 90 # pseudoatom 1: ARG 6 HG2 # pseudoatom 2: PHE 5 HD1 &rst iat= -1, -1, igr1= 125, 126, 0, igr2= 106, 114, 0, r1= 0.00, r2= 0.00, r3= 7.94, r4= 8.44, rk2= 20, rk3= 20, &end # distance restraint 91 # pseudoatom 1: ARG 6 HG2 # pseudoatom 2: PHE 5 HE1 &rst iat= -1, -1, igr1= 125, 126, 0, igr2= 108, 112, 0, r1= 0.00, r2= 0.37, r3= 8.40, r4= 8.90, rk2= 20, rk3= 20, &end # distance restraint 92 # pseudoatom 1: ARG 6 HG2 # pseudoatom 2: ARG 6 HB2 &rst iat= -1, -1, igr1= 125, 126, 0, igr2= 122, 123, 0, r1= 0.00, r2= 0.15, r3= 5.73, r4= 6.23, rk2= 20, rk3= 20, &end # distance restraint 94 # atom 1: ARG 6 H # pseudoatom 2: PHE 5 HD1 &rst iat= 118, -1, igr2= 106, 114, 0, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22, rk2= 20, rk3= 20, &end # # #=========================================================================== # distance restraint 15 # atom 1: ARG 1 H # atom 2: ARG 2 H &rst iat= 2, 26, r1= 2.12, r2= 2.62, r3= 4.95, r4= 5.45, rk2= 20, rk3= 20, &end # # distance restraint 93 # atom 1: ARG 6 H # atom 2: ARG 1 H &rst iat= 118, 2, r1= 2.55, r2= 3.05, r3= 5.95, r4= 6.45, rk2= 20, rk3= 20, &end # # distance restraint 7 # atom 1: ARG 1 HA # atom 2: ARG 6 HA &rst iat= 4, 120, r1= 4.01, r2= 4.51, r3= 6.51, r4= 7.01, rk2= 20, rk3= 20, &end # distance restraint 9 # atom 1: ARG 1 HB2 # atom 2: ARG 1 HN &rst iat= 6, 2, r1= 1.77, r2= 2.27, r3= 3.87, r4= 4.37, rk2= 20, rk3= 20, &end # distance restraint 25 # atom 1: ARG 2 HA # atom 2: TRP 3 HD1 &rst iat= 28, 58, r1= 3.05, r2= 3.55, r3= 5.95, r4= 6.45, rk2= 20, rk3= 20, &end # distance restraint 42 # pseudoatom 1: ARG 2 HG2 # atom 2: TRP 3 HE1 &rst iat= -1, 60, igr1= 33, 34, 0, r1= 2.71, r2= 3.21, r3= 7.39, r4= 7.89, rk2= 20, rk3= 20, &end # distance restraint 59 # atom 1: TRP 3 HB3 # atom 2: TRP 3 HE3 &rst iat= 55, 69, r1= 1.58, r2= 2.08, r3= 4.48, r4= 4.98, rk2= 20, rk3= 20, &end # distance restraint 49 # atom 1: TRP 3 HB2 # atom 2: TRP 3 HE3 &rst iat= 54, 69, r1= 2.09, r2= 2.59, r3= 4.29, r4= 4.69, rk2= 20, rk3= 20, &end # distance restraint 63 # atom 1: TRP 3 HD1 # atom 2: TRP 3 HN &rst iat= 58, 50, r1= 2.86, r2= 3.36, r3= 4.76, r4= 5.26, rk2= 20, rk3= 20, &end # distance restraint 68 # atom 1: TRP 4 HA # atom 2: TRP 4 HD1 &rst iat= 76, 82, r1= 3.92, r2= 4.42, r3= 5.82, r4= 6.32, rk2= 20, rk3= 20, &end # distance restraint 76 # atom 1: TRP 4 HB3 # atom 2: TRP 3 HE3 &rst iat= 79, 69, r1= 2.42, r2= 2.92, r3= 4.32, r4= 4.82, rk2= 20, rk3= 20, &end # distance restraint 78 # atom 1: TRP 4 HB3 # atom 2: TRP 4 HE3 &rst iat= 79, 93, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72, rk2= 20, rk3= 20, &end # distance restraint 88 # atom 1: PHE 5 HA # atom 2: ARG 6 HA &rst iat= 100, 120, r1= 3.98, r2= 4.48, r3= 5.88, r4= 6.38, rk2= 20, rk3= 20, &end # distance restraint 94 # atom 1: PHE 5 HB2 # atom 2: ARG 6 HN &rst iat= 102, 118, r1= 4.20, r2= 4.70, r3= 6.10, r4= 6.60, rk2= 20, rk3= 20, &end # distance restraint 97 # atom 1: PHE 5 HB3 # atom 2: ARG 6 HN &rst iat= 103, 118, r1= 3.72, r2= 4.22, r3= 5.62, r4= 6.12, rk2= 20, rk3= 20, &end # distance restraint 112 # pseudoatom 1: ARG 6 HD2 # atom 2: PHE 5 HN &rst iat= -1, 98, igr1= 128, 129, 0, r1= 2.05, r2= 2.55, r3= 5.73, r4= 6.23, rk2= 20, rk3= 20, &end # distance restraint 44 # atom 1: TRP 3 HA # atom 2: TRP 3 HD1 &rst iat= 52, 58, r1= 1.67, r2= 2.17, r3= 3.77, r4= 4.27, rk2= 20, rk3= 20, &end # distance restraint 9 # atom 1: ARG 1 HB2 # atom 2: ARG 2 HN &rst iat= 6, 26, r1= 1.76, r2= 2.26, r3= 3.66, r4= 4.16, rk2= 20, rk3= 20, &end # distance restraint 46 # atom 1: TRP 3 HB2 # atom 2: TRP 3 HD1 &rst iat= 54, 58, r1= 2.01, r2= 2.51, r3= 3.91, r4= 4.41, rk2= 20, rk3= 20, &end #
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