NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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12124 |
1skl   |
6168 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
################################################################ # # # AMBER6 restraint file # # c-RNal (2.5 mM) bound to DPC micelles (50 mM) # # 300 K, pH 6.3 # # 40 ms NOESY # #--------------------------------------------------------------# # Christian Appelt # # FMP Berlin, Germany # # 24/02/2004 # # # ################################################################ ######################### 103 distance restraints ##################### # atom 1: ARG 1 HA # atom 2: ARG 1 HN &rst iat= 4, 2, r1= 1.61, r2= 2.11, r3= 3.51, r4= 4.01, rk2= 20, rk3= 20, &end # atom 1: ARG 1 HA # atom 2: ARG 2 HN &rst iat= 4, 26, r1= 1.70, r2= 2.20, r3= 3.60, r4= 4.10, rk2= 20, rk3= 20, &end # atom 1: ARG 1 HA # atom 2: PHE 6 HN &rst iat= 4, 126, r1= 4.94, r2= 5.44, r3= 6.84, r4= 7.34, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HB2 # atom 2: ARG 1 HA &rst iat= -1, 4, igr1= 6, 7, 0, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HB2 # atom 2: ARG 1 HE &rst iat= -1, 15, igr1= 6, 7, 0, r1= 2.63, r2= 3.13, r3= 6.35, r4= 6.85, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HB2 # atom 2: ARG 1 HN &rst iat= -1, 2, igr1= 6, 7, 0, r1= 0.86, r2= 1.36, r3= 4.56, r4= 5.06, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HB2 # atom 2: ARG 2 HN &rst iat= -1, 26, igr1= 6, 7, 0, r1= 0.63, r2= 1.13, r3= 4.69, r4= 5.19, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HD2 # atom 2: ARG 1 HN &rst iat= -1, 2, igr1= 12, 13, 0, r1= 3.25, r2= 3.75, r3= 6.93, r4= 7.43, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HD2 # atom 2: ARG 2 HN &rst iat= -1, 26, igr1= 12, 13, 0, r1= 2.68, r2= 3.18, r3= 6.36, r4= 6.86, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 1 HG2 # atom 2: ARG 1 HN &rst iat= -1, 2, igr1= 9, 10, 0, r1= 0.87, r2= 1.37, r3= 4.55, r4= 5.05, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HA # atom 2: ARG 2 HN &rst iat= 28, 26, r1= 1.60, r2= 2.10, r3= 3.50, r4= 4.00, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HA # atom 2: NAL 3 HD1 &rst iat= 28, 58, r1= 3.89, r2= 4.39, r3= 5.79, r4= 6.29, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HA # atom 2: NAL 3 HD2 &rst iat= 28, 66, r1= 3.53, r2= 4.03, r3= 5.43, r4= 5.93, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HA # atom 2: NAL 3 HN &rst iat= 28, 50, r1= 2.01, r2= 2.51, r3= 3.91, r4= 4.41, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB2 # atom 2: ARG 2 HN &rst iat= 30, 26, r1= 1.42, r2= 1.92, r3= 3.32, r4= 3.82, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: ARG 2 HA &rst iat= 31, 28, r1= 1.55, r2= 2.05, r3= 4.05, r4= 4.55, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: ARG 2 HE &rst iat= 31, 39, r1= 2.68, r2= 3.18, r3= 4.58, r4= 5.08, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: ARG 2 HN &rst iat= 31, 26, r1= 1.90, r2= 2.40, r3= 3.80, r4= 4.30, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: NAL 3 HD1 &rst iat= 31, 58, r1= 2.88, r2= 3.38, r3= 4.78, r4= 5.28, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: NAL 3 HD2 &rst iat= 31, 66, r1= 3.74, r2= 4.24, r3= 5.64, r4= 6.14, rk2= 20, rk3= 20, &end # atom 1: ARG 2 HB3 # atom 2: NAL 3 HN &rst iat= 31, 50, r1= 2.55, r2= 3.05, r3= 4.45, r4= 4.95, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HD2 # atom 2: ARG 2 HE &rst iat= -1, 39, igr1= 36, 37, 0, r1= 1.00, r2= 1.50, r3= 4.76, r4= 5.26, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HD2 # atom 2: ARG 2 HN &rst iat= -1, 26, igr1= 36, 37, 0, r1= 1.41, r2= 1.91, r3= 6.97, r4= 7.47, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HD2 # atom 2: NAL 4 HZ2 &rst iat= -1, 100, igr1= 36, 37, 0, r1= 4.12, r2= 4.62, r3= 7.80, r4= 8.30, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HG2 # atom 2: ARG 2 HE &rst iat= -1, 39, igr1= 33, 34, 0, r1= 1.54, r2= 2.04, r3= 5.22, r4= 5.72, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HG2 # atom 2: ARG 2 HN &rst iat= -1, 26, igr1= 33, 34, 0, r1= 1.13, r2= 1.63, r3= 4.83, r4= 5.33, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HG2 # atom 2: NAL 3 HD1 &rst iat= -1, 58, igr1= 33, 34, 0, r1= 2.78, r2= 3.28, r3= 6.46, r4= 6.96, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HG2 # atom 2: NAL 3 HD2 &rst iat= -1, 66, igr1= 33, 34, 0, r1= 2.89, r2= 3.39, r3= 6.57, r4= 7.07, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 2 HG2 # atom 2: NAL 3 HN &rst iat= -1, 50, igr1= 33, 34, 0, r1= 3.18, r2= 3.68, r3= 6.86, r4= 7.36, rk2= 20, rk3= 20, &end # atom 1: NAL 3 HA # atom 2: NAL 3 HD2 &rst iat= 52, 66, r1= 2.24, r2= 2.74, r3= 4.14, r4= 4.64, rk2= 20, rk3= 20, &end # atom 1: NAL 3 HA # atom 2: NAL 4 HN &rst iat= 52, 76, r1= 1.78, r2= 2.28, r3= 3.68, r4= 4.18, rk2= 20, rk3= 20, &end # atom 1: NAL 3 HN # atom 2: ARG 1 HN &rst iat= 50, 2, r1= 4.27, r2= 4.77, r3= 6.17, r4= 6.67, rk2= 20, rk3= 20, &end # atom 1: NAL 3 HN # atom 2: ARG 2 HN &rst iat= 50, 26, r1= 1.73, r2= 2.23, r3= 3.63, r4= 4.13, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HA # atom 2: NAL 3 HD2 &rst iat= 78, 66, r1= 3.75, r2= 4.25, r3= 5.65, r4= 6.15, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HA # atom 2: NAL 4 HN &rst iat= 78, 76, r1= 1.69, r2= 2.19, r3= 3.59, r4= 4.09, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HA # pseudoatom 2: PHE 6 HD1 &rst iat= 78, -1, igr2= 134, 142, 0, r1= 1.63, r2= 2.13, r3= 7.85, r4= 8.35, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HA # atom 2: PHE 6 HN &rst iat= 78, 126, r1= 3.42, r2= 3.92, r3= 5.32, r4= 5.82, rk2= 20, rk3= 20, &end # pseudoatom 1: NAL 4 HB2 # pseudoatom 2: PHE 6 HD1 &rst iat= -1, -1, igr1= 80, 81, 0, igr2= 134, 142, 0, r1= 0.00, r2= 0.00, r3= 7.04, r4= 7.54, rk2= 20, rk3= 20, &end # pseudoatom 1: NAL 4 HB2 # pseudoatom 2: PHE 6 HE1 &rst iat= -1, -1, igr1= 80, 81, 0, igr2= 136, 140, 0, r1= 0.00, r2= 0.00, r3= 7.39, r4= 7.89, rk2= 20, rk3= 20, &end # pseudoatom 1: NAL 4 HB2 # atom 2: PHE 6 HN &rst iat= -1, 126, igr1= 80, 81, 0, r1= 1.25, r2= 1.75, r3= 4.93, r4= 5.43, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HD2 # atom 2: NAL 4 HZ2 &rst iat= 92, 100, r1= 1.39, r2= 1.89, r3= 3.31, r4= 3.81, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HD2 # atom 2: PHE 6 HN &rst iat= 92, 126, r1= 2.54, r2= 3.04, r3= 4.44, r4= 4.94, rk2= 20, rk3= 20, &end # atom 1: NAL 4 HH2 # atom 2: NAL 4 HZ2 &rst iat= 99, 100, r1= 1.22, r2= 1.72, r3= 3.15, r4= 3.65, rk2= 20, rk3= 20, &end # atom 1: ARG 5 HA # atom 2: NAL 4 HD1 &rst iat= 104, 84, r1= 4.11, r2= 4.61, r3= 6.01, r4= 6.51, rk2= 20, rk3= 20, &end # atom 1: ARG 5 HA # atom 2: NAL 4 HD2 &rst iat= 104, 92, r1= 3.54, r2= 4.04, r3= 5.44, r4= 5.94, rk2= 20, rk3= 20, &end # atom 1: ARG 5 HA # atom 2: PHE 6 HN &rst iat= 104, 126, r1= 1.88, r2= 2.38, r3= 3.78, r4= 4.28, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HE1 &rst iat= -1, 86, igr1= 106, 107, 0, r1= 1.95, r2= 2.45, r3= 6.36, r4= 6.86, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HH1 &rst iat= -1, 97, igr1= 106, 107, 0, r1= 2.28, r2= 2.78, r3= 5.96, r4= 6.46, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HZ2 &rst iat= -1, 100, igr1= 106, 107, 0, r1= 1.80, r2= 2.30, r3= 7.27, r4= 7.77, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: PHE 6 HN &rst iat= -1, 126, igr1= 106, 107, 0, r1= 1.05, r2= 1.55, r3= 4.97, r4= 5.47, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HD1 &rst iat= -1, 84, igr1= 106, 107, 0, r1= 3.30, r2= 3.80, r3= 6.98, r4= 7.48, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HD2 &rst iat= -1, 92, igr1= 106, 107, 0, r1= 2.49, r2= 2.99, r3= 6.17, r4= 6.67, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: NAL 4 HH2 &rst iat= -1, 99, igr1= 106, 107, 0, r1= 3.91, r2= 4.41, r3= 7.59, r4= 8.09, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: ARG 5 HA &rst iat= -1, 104, igr1= 106, 107, 0, r1= 1.34, r2= 1.84, r3= 5.02, r4= 5.52, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # pseudoatom 2: ARG 5 HD2 &rst iat= -1, -1, igr1= 106, 107, 0, igr2= 112, 113, 0, r1= 0.49, r2= 0.99, r3= 6.00, r4= 6.50, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: ARG 5 HE &rst iat= -1, 115, igr1= 106, 107, 0, r1= 1.70, r2= 2.20, r3= 5.38, r4= 5.88, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # pseudoatom 2: ARG 5 HG2 &rst iat= -1, -1, igr1= 106, 107, 0, igr2= 109, 110, 0, r1= 0.83, r2= 1.33, r3= 6.35, r4= 6.85, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # atom 2: ARG 5 HN &rst iat= -1, 102, igr1= 106, 107, 0, r1= 2.76, r2= 3.26, r3= 7.04, r4= 7.54, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # pseudoatom 2: PHE 6 HD1 &rst iat= -1, -1, igr1= 106, 107, 0, igr2= 134, 142, 0, r1= 0.00, r2= 0.11, r3= 7.61, r4= 8.11, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HB2 # pseudoatom 2: PHE 6 HE1 &rst iat= -1, -1, igr1= 106, 107, 0, igr2= 136, 140, 0, r1= 0.76, r2= 1.26, r3= 8.76, r4= 9.26, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 3 HN &rst iat= -1, 50, igr1= 112, 113, 0, r1= 3.92, r2= 4.42, r3= 7.60, r4= 8.10, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 4 HD1 &rst iat= -1, 84, igr1= 112, 113, 0, r1= 3.61, r2= 4.11, r3= 7.29, r4= 7.79, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 4 HZ2 &rst iat= -1, 100, igr1= 112, 113, 0, r1= 0.00, r2= 0.00, r3= 7.28, r4= 7.78, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: ARG 5 HE &rst iat= -1, 115, igr1= 112, 113, 0, r1= 1.18, r2= 1.68, r3= 4.91, r4= 5.41, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: PHE 6 HZ &rst iat= -1, 138, igr1= 112, 113, 0, r1= 3.24, r2= 3.74, r3= 7.10, r4= 7.60, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 4 HD2 &rst iat= -1, 92, igr1= 112, 113, 0, r1= 3.35, r2= 3.85, r3= 7.03, r4= 7.53, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 4 HH1 &rst iat= -1, 97, igr1= 112, 113, 0, r1= 3.76, r2= 4.26, r3= 7.44, r4= 7.94, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HD2 # atom 2: NAL 4 HH2 &rst iat= -1, 99, igr1= 112, 113, 0, r1= 0.00, r2= 0.00, r3= 6.07, r4= 6.57, rk2= 20, rk3= 20, &end # atom 1: ARG 5 HE # atom 2: NAL 4 HH1 &rst iat= 115, 97, r1= 3.67, r2= 4.17, r3= 5.57, r4= 6.07, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HD1 &rst iat= -1, 84, igr1= 109, 110, 0, r1= 3.38, r2= 3.88, r3= 8.39, r4= 8.89, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HD2 &rst iat= -1, 92, igr1= 109, 110, 0, r1= 2.81, r2= 3.31, r3= 6.69, r4= 7.19, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HE1 &rst iat= -1, 86, igr1= 109, 110, 0, r1= 3.75, r2= 4.25, r3= 7.91, r4= 8.41, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HH1 &rst iat= -1, 97, igr1= 109, 110, 0, r1= 3.83, r2= 4.33, r3= 8.32, r4= 8.82, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HH2 &rst iat= -1, 99, igr1= 109, 110, 0, r1= 4.05, r2= 4.55, r3= 7.73, r4= 8.23, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: NAL 4 HZ2 &rst iat= -1, 100, igr1= 109, 110, 0, r1= 3.83, r2= 4.33, r3= 8.44, r4= 8.94, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: ARG 5 HE &rst iat= -1, 115, igr1= 109, 110, 0, r1= 0.00, r2= 0.08, r3= 5.04, r4= 5.54, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: ARG 5 HN &rst iat= -1, 102, igr1= 109, 110, 0, r1= 3.35, r2= 3.85, r3= 7.03, r4= 7.53, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # pseudoatom 2: PHE 6 HD1 &rst iat= -1, -1, igr1= 109, 110, 0, igr2= 134, 142, 0, r1= 0.00, r2= 0.16, r3= 8.55, r4= 9.05, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # pseudoatom 2: PHE 6 HE1 &rst iat= -1, -1, igr1= 109, 110, 0, igr2= 136, 140, 0, r1= 0.75, r2= 1.25, r3= 8.75, r4= 9.25, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: PHE 6 HN &rst iat= -1, 126, igr1= 109, 110, 0, r1= 2.57, r2= 3.07, r3= 6.90, r4= 7.40, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: ARG 5 HA &rst iat= -1, 104, igr1= 109, 110, 0, r1= 1.90, r2= 2.40, r3= 5.58, r4= 6.08, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # pseudoatom 2: ARG 5 HD2 &rst iat= -1, -1, igr1= 109, 110, 0, igr2= 112, 113, 0, r1= 0.00, r2= 0.00, r3= 5.81, r4= 6.31, rk2= 20, rk3= 20, &end # pseudoatom 1: ARG 5 HG2 # atom 2: PHE 6 HZ &rst iat= -1, 138, igr1= 109, 110, 0, r1= 4.00, r2= 4.50, r3= 7.68, r4= 8.18, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HA # atom 2: ARG 1 HN &rst iat= 128, 2, r1= 1.62, r2= 2.12, r3= 3.52, r4= 4.02, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HA # atom 2: PHE 6 HN &rst iat= 128, 126, r1= 1.77, r2= 2.27, r3= 3.67, r4= 4.17, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # atom 2: ARG 1 HN &rst iat= 130, 2, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # atom 2: NAL 3 HN &rst iat= 130, 50, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # atom 2: PHE 6 HB3 &rst iat= 130, 131, r1= 0.92, r2= 1.42, r3= 2.90, r4= 3.40, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # pseudoatom 2: PHE 6 HD1 &rst iat= 130, -1, igr2= 134, 142, 0, r1= 0.00, r2= 0.00, r3= 5.57, r4= 6.07, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # pseudoatom 2: PHE 6 HE1 &rst iat= 130, -1, igr2= 136, 140, 0, r1= 0.48, r2= 0.98, r3= 6.70, r4= 7.20, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB2 # atom 2: PHE 6 HN &rst iat= 130, 126, r1= 1.68, r2= 2.18, r3= 3.58, r4= 4.08, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # atom 2: ARG 1 HN &rst iat= 131, 2, r1= 1.57, r2= 2.07, r3= 3.47, r4= 3.97, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # atom 2: ARG 2 HN &rst iat= 131, 26, r1= 2.34, r2= 2.84, r3= 4.24, r4= 4.74, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # atom 2: NAL 3 HD2 &rst iat= 131, 66, r1= 4.83, r2= 5.33, r3= 6.73, r4= 7.23, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # atom 2: NAL 3 HN &rst iat= 131, 50, r1= 4.65, r2= 5.15, r3= 6.55, r4= 7.05, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # pseudoatom 2: PHE 6 HD1 &rst iat= 131, -1, igr2= 134, 142, 0, r1= 0.00, r2= 0.00, r3= 5.65, r4= 6.15, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # pseudoatom 2: PHE 6 HE1 &rst iat= 131, -1, igr2= 136, 140, 0, r1= 0.63, r2= 1.13, r3= 6.85, r4= 7.35, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HB3 # atom 2: PHE 6 HN &rst iat= 131, 126, r1= 2.09, r2= 2.59, r3= 3.99, r4= 4.49, rk2= 20, rk3= 20, &end # pseudoatom 1: PHE 6 HD1 # atom 2: ARG 1 HN &rst iat= -1, 2, igr1= 134, 142, 0, r1= 1.22, r2= 1.72, r3= 7.44, r4= 7.94, rk2= 20, rk3= 20, &end # pseudoatom 1: PHE 6 HD1 # atom 2: NAL 3 HD2 &rst iat= -1, 66, igr1= 134, 142, 0, r1= 2.39, r2= 2.89, r3= 8.61, r4= 9.11, rk2= 20, rk3= 20, &end # pseudoatom 1: PHE 6 HE1 # atom 2: NAL 4 HZ2 &rst iat= -1, 100, igr1= 136, 140, 0, r1= 1.16, r2= 1.66, r3= 7.38, r4= 7.88, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HN # atom 2: ARG 1 HN &rst iat= 126, 2, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90, rk2= 20, rk3= 20, &end # atom 1: PHE 6 HN # atom 2: ARG 2 HN &rst iat= 126, 26, r1= 3.51, r2= 4.01, r3= 5.41, r4= 5.91, rk2= 20, rk3= 20, &end
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