NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
17431 |
2cpb   |
4197 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 2 and name HA ) (resid 2 and name HB1 ) 3.07 0.61 0.63 volume 7.8557e+05 assign (resid 2 and name HA ) (resid 2 and name HG# ) 4.07 0.81 1.25 volume 1.6113e+05 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.25 0.45 0.45 volume 3.4912e+04 assign (resid 2 and name HB2 ) (resid 2 and name HG# ) 2.46 0.49 0.49 volume 3.5564e+06 assign (resid 2 and name HB1 ) (resid 2 and name HG# ) 2.21 0.44 0.44 volume 6.8561e+06 assign (resid 3 and name HN ) (resid 3 and name HA1 ) 2.00 0.40 0.40 volume 7.1348e+04 assign (resid 3 and name HN ) (resid 3 and name HA2 ) 2.07 0.41 0.41 volume 5.8376e+04 assign (resid 3 and name HA1 ) (resid 3 and name HA2 ) 1.60 0.32 0.32 volume 3.8000e+07 assign (resid 3 and name HA1 ) (resid 4 and name HN ) 2.31 0.46 0.46 volume 2.9548e+04 assign (resid 3 and name HA2 ) (resid 4 and name HN ) 2.31 0.46 0.46 volume 2.9548e+04 assign (resid 4 and name HN ) (resid 4 and name HB# ) 2.00 0.40 0.40 volume 7.0461e+04 assign (resid 4 and name HA ) (resid 4 and name HB# ) 2.40 0.48 0.48 volume 3.4329e+06 assign (resid 4 and name HB# ) (resid 6 and name HD# ) 3.85 0.77 1.09 volume 4.6420e+05 assign (resid 4 and name HB# ) (resid 7 and name HB# ) 4.12 0.82 1.28 volume 3.0867e+05 assign (resid 5 and name HN ) (resid 5 and name HA ) 2.42 0.48 0.48 volume 2.2082e+04 assign (resid 5 and name HN ) (resid 5 and name HB1 ) 2.47 0.49 0.49 volume 2.0073e+04 assign (resid 5 and name HN ) (resid 6 and name HD# ) 3.06 0.61 0.63 volume 1.2631e+04 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.55 0.51 0.51 volume 2.3470e+06 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.62 0.52 0.52 volume 2.0390e+06 assign (resid 5 and name HA ) (resid 6 and name HA ) 4.27 0.85 1.40 volume 2.4691e+05 assign (resid 5 and name HA ) (resid 6 and name HG# ) 3.29 0.66 0.75 volume 1.1865e+06 assign (resid 5 and name HA ) (resid 6 and name HD# ) 2.06 0.41 0.41 volume 1.9473e+07 assign (resid 5 and name HA ) (resid 8 and name HB# ) 4.08 0.82 1.26 volume 3.2507e+05 assign (resid 5 and name HA ) (resid 8 and name HD# ) 5.78 1.16 2.76 volume 4.0674e+04 assign (resid 5 and name HB2 ) (resid 5 and name HB1 ) 1.73 0.35 0.35 volume 2.4737e+07 assign (resid 5 and name HB2 ) (resid 6 and name HD# ) 3.63 0.73 0.95 volume 6.5734e+05 assign (resid 5 and name HB1 ) (resid 6 and name HD# ) 4.14 0.83 1.30 volume 3.0000e+05 assign (resid 5 and name HB1 ) (resid 8 and name HN ) 3.21 0.64 0.71 volume 9.4609e+03 assign (resid 6 and name HA ) (resid 6 and name HB2 ) 2.88 0.58 0.58 volume 6.0655e+06 assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.49 0.50 0.50 volume 1.4656e+07 assign (resid 6 and name HA ) (resid 6 and name HG# ) 3.11 0.62 0.65 volume 3.8712e+06 assign (resid 6 and name HA ) (resid 6 and name HD# ) 3.78 0.76 1.05 volume 1.1833e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.78 0.76 1.05 volume 8.2447e+03 assign (resid 6 and name HB2 ) (resid 6 and name HB1 ) 2.19 0.44 0.44 volume 3.1608e+07 assign (resid 6 and name HB2 ) (resid 6 and name HG# ) 1.99 0.40 0.40 volume 5.6667e+07 assign (resid 6 and name HB2 ) (resid 6 and name HD# ) 3.01 0.60 0.60 volume 4.7161e+06 assign (resid 6 and name HB2 ) (resid 7 and name HB# ) 4.34 0.87 1.45 volume 5.1967e+05 assign (resid 6 and name HB1 ) (resid 6 and name HG# ) 2.52 0.50 0.50 volume 1.3431e+07 assign (resid 6 and name HB1 ) (resid 6 and name HD# ) 3.53 0.71 0.89 volume 1.7944e+06 assign (resid 6 and name HB1 ) (resid 7 and name HB# ) 4.47 0.89 1.55 volume 4.3383e+05 assign (resid 6 and name HG# ) (resid 6 and name HD# ) 2.41 0.48 0.48 volume 1.7663e+07 assign (resid 6 and name HG# ) (resid 7 and name HN ) 3.41 0.68 0.82 volume 1.5080e+04 assign (resid 6 and name HG# ) (resid 7 and name HB# ) 4.46 0.89 1.54 volume 4.4417e+05 assign (resid 6 and name HD# ) (resid 7 and name HN ) 3.11 0.62 0.66 volume 2.6624e+04 assign (resid 7 and name HN ) (resid 7 and name HA ) 2.94 0.59 0.59 volume 3.7327e+04 assign (resid 7 and name HN ) (resid 7 and name HB# ) 2.74 0.55 0.55 volume 8.8519e+04 assign (resid 7 and name HN ) (resid 8 and name HN ) 2.77 0.55 0.55 volume 5.3386e+04 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.17 0.63 0.69 volume 2.3652e+04 assign (resid 8 and name HN ) (resid 8 and name HA ) 2.96 0.59 0.59 volume 3.5478e+04 assign (resid 8 and name HN ) (resid 8 and name HG2 ) 2.87 0.57 0.57 volume 4.2574e+04 assign (resid 8 and name HN ) (resid 8 and name HG1 ) 2.87 0.57 0.57 volume 4.2574e+04 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.94 0.59 0.59 volume 3.6914e+04 assign (resid 8 and name HA ) (resid 8 and name HG2 ) 4.94 0.99 1.95 volume 2.4000e+05 assign (resid 8 and name HA ) (resid 8 and name HD# ) 3.88 0.78 1.12 volume 1.0153e+06 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.41 0.68 0.82 volume 1.5230e+04 assign (resid 8 and name HA ) (resid 11 and name HB2 ) 3.59 0.72 0.93 volume 1.6094e+06 assign (resid 8 and name HA ) (resid 11 and name HB1 ) 3.43 0.69 0.83 volume 2.1594e+06 assign (resid 8 and name HB# ) (resid 8 and name HE# ) 3.93 0.79 1.15 volume 9.4382e+05 assign (resid 8 and name HB# ) (resid 9 and name HN ) 3.05 0.61 0.63 volume 2.9454e+04 assign (resid 8 and name HG2 ) (resid 8 and name HG1 ) 1.82 0.36 0.36 volume 9.6743e+07 assign (resid 8 and name HG2 ) (resid 8 and name HE# ) 3.53 0.71 0.89 volume 1.7978e+06 assign (resid 8 and name HG1 ) (resid 8 and name HD# ) 2.29 0.46 0.46 volume 2.3900e+07 assign (resid 8 and name HG1 ) (resid 8 and name HE# ) 3.96 0.79 1.17 volume 8.9888e+05 assign (resid 9 and name HN ) (resid 9 and name HA ) 2.84 0.57 0.57 volume 4.5689e+04 assign (resid 9 and name HN ) (resid 9 and name HB# ) 2.69 0.54 0.54 volume 1.0033e+05 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.18 0.64 0.69 volume 2.3202e+04 assign (resid 9 and name HA ) (resid 9 and name HB# ) 2.09 0.42 0.42 volume 7.6500e+07 assign (resid 9 and name HA ) (resid 12 and name HB2 ) 3.20 0.64 0.70 volume 3.2788e+06 assign (resid 9 and name HA ) (resid 12 and name HB1 ) 3.18 0.64 0.69 volume 3.3721e+06 assign (resid 9 and name HB# ) (resid 12 and name HB2 ) 4.39 0.88 1.49 volume 4.8300e+05 assign (resid 10 and name HN ) (resid 10 and name HA ) 2.52 0.50 0.50 volume 9.4220e+04 assign (resid 10 and name HN ) (resid 10 and name HB# ) 2.26 0.45 0.45 volume 3.1679e+05 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.58 0.52 0.52 volume 8.1310e+04 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.26 0.65 0.74 volume 1.9993e+04 assign (resid 10 and name HA ) (resid 13 and name HN ) 3.95 0.79 1.17 volume 6.3286e+03 assign (resid 10 and name HA ) (resid 13 and name HB2 ) 2.98 0.60 0.60 volume 4.9507e+06 assign (resid 10 and name HA ) (resid 13 and name HB1 ) 3.05 0.61 0.62 volume 4.3421e+06 assign (resid 10 and name HB# ) (resid 11 and name HN ) 2.99 0.60 0.60 volume 5.0831e+04 assign (resid 10 and name HB# ) (resid 11 and name HD# ) 4.22 0.84 1.36 volume 7.0359e+05 assign (resid 11 and name HN ) (resid 11 and name HA ) 2.83 0.57 0.57 volume 4.6561e+04 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 2.84 0.57 0.57 volume 4.5748e+04 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 2.84 0.57 0.57 volume 4.5578e+04 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.22 0.64 0.71 volume 2.1574e+04 assign (resid 11 and name HA ) (resid 11 and name HB2 ) 3.05 0.61 0.63 volume 4.2589e+06 assign (resid 11 and name HA ) (resid 11 and name HB1 ) 3.17 0.63 0.69 volume 3.3923e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.07 0.61 0.64 volume 2.8423e+04 assign (resid 11 and name HA ) (resid 14 and name HB2 ) 3.77 0.75 1.04 volume 1.2074e+06 assign (resid 11 and name HA ) (resid 14 and name HB1 ) 3.58 0.72 0.92 volume 1.6655e+06 assign (resid 11 and name HA ) (resid 14 and name HD##) 3.66 0.73 0.97 volume 1.4444e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD# ) 3.76 1.00 1.04 volume 1.2242e+06 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.18 0.64 0.69 volume 2.2959e+04 assign (resid 11 and name HB1 ) (resid 11 and name HD# ) 3.68 1.00 0.99 volume 1.4011e+06 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.18 0.64 0.69 volume 2.2959e+04 assign (resid 11 and name HD# ) (resid 12 and name HA ) 5.43 1.09 2.41 volume 1.3568e+05 assign (resid 11 and name HD# ) (resid 14 and name HD##) 4.49 0.90 1.57 volume 4.2481e+05 assign (resid 12 and name HN ) (resid 12 and name HB2 ) 2.78 0.56 0.56 volume 5.1657e+04 assign (resid 12 and name HN ) (resid 12 and name HB1 ) 2.78 0.56 0.56 volume 5.1657e+04 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.27 0.65 0.74 volume 1.9619e+04 assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.68 0.54 0.54 volume 9.5102e+06 assign (resid 12 and name HA ) (resid 12 and name HB1 ) 2.68 0.54 0.54 volume 9.3540e+06 assign (resid 12 and name HA ) (resid 15 and name HB2 ) 3.28 0.66 0.75 volume 2.8078e+06 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.40 0.68 0.82 volume 1.5545e+04 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.40 0.68 0.82 volume 1.5545e+04 assign (resid 13 and name HN ) (resid 13 and name HA ) 3.06 0.61 0.63 volume 2.8855e+04 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 3.06 0.61 0.63 volume 2.9146e+04 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 3.06 0.61 0.63 volume 2.9146e+04 assign (resid 13 and name HA ) (resid 13 and name HB2 ) 2.76 0.55 0.55 volume 7.8874e+06 assign (resid 13 and name HA ) (resid 13 and name HB1 ) 2.66 0.53 0.53 volume 9.9552e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.09 0.62 0.65 volume 2.7323e+04 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.01 0.60 0.61 volume 5.7074e+06 assign (resid 13 and name HB2 ) (resid 13 and name HB1 ) 1.85 0.37 0.37 volume 8.8088e+07 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 2.97 0.59 0.59 volume 3.5168e+04 assign (resid 13 and name HB2 ) (resid 16 and name HB# ) 3.50 0.70 0.88 volume 2.2425e+06 assign (resid 13 and name HB1 ) (resid 16 and name HB# ) 3.47 0.69 0.86 volume 2.3783e+06 assign (resid 14 and name HN ) (resid 14 and name HA ) 2.69 0.54 0.54 volume 6.2511e+04 assign (resid 14 and name HN ) (resid 14 and name HB2 ) 2.86 0.57 0.57 volume 4.3239e+04 assign (resid 14 and name HN ) (resid 14 and name HB1 ) 2.38 0.48 0.48 volume 1.3178e+05 assign (resid 14 and name HN ) (resid 14 and name HD1#) 3.98 0.80 1.19 volume 8.2360e+03 assign (resid 14 and name HN ) (resid 14 and name HD2#) 3.98 0.80 1.19 volume 8.2360e+03 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.98 0.60 0.60 volume 3.3973e+04 assign (resid 14 and name HA ) (resid 14 and name HB2 ) 2.87 0.57 0.57 volume 6.2066e+06 assign (resid 14 and name HA ) (resid 14 and name HB1 ) 2.92 0.58 0.58 volume 5.5920e+06 assign (resid 14 and name HA ) (resid 14 and name HG ) 3.24 0.65 0.73 volume 2.9993e+06 assign (resid 14 and name HA ) (resid 15 and name HN ) 2.82 0.56 0.56 volume 4.7442e+04 assign (resid 14 and name HA ) (resid 17 and name HB# ) 2.78 0.56 0.56 volume 7.5778e+06 assign (resid 14 and name HB2 ) (resid 14 and name HB1 ) 2.22 0.44 0.44 volume 2.9455e+07 assign (resid 14 and name HB2 ) (resid 14 and name HG ) 2.35 0.47 0.47 volume 2.0723e+07 assign (resid 14 and name HB2 ) (resid 14 and name HD##) 2.93 0.59 0.59 volume 5.5396e+06 assign (resid 14 and name HB2 ) (resid 15 and name HN ) 3.36 0.67 0.79 volume 1.6542e+04 assign (resid 14 and name HB1 ) (resid 14 and name HD##) 2.97 0.59 0.59 volume 5.0454e+06 assign (resid 14 and name HB1 ) (resid 15 and name HN ) 3.77 0.75 1.04 volume 8.2702e+03 assign (resid 14 and name HG ) (resid 15 and name HN ) 3.77 0.75 1.04 volume 8.2702e+03 assign (resid 14 and name HD1#) (resid 15 and name HN ) 5.08 1.02 2.07 volume 1.7791e+03 assign (resid 14 and name HD2#) (resid 15 and name HN ) 5.08 1.02 2.07 volume 1.7791e+03 assign (resid 15 and name HN ) (resid 15 and name HA ) 2.84 0.57 0.57 volume 4.5697e+04 assign (resid 15 and name HN ) (resid 15 and name HB2 ) 2.95 0.59 0.59 volume 3.6378e+04 assign (resid 15 and name HN ) (resid 15 and name HB1 ) 2.95 0.59 0.59 volume 3.6378e+04 assign (resid 15 and name HN ) (resid 15 and name HG2 ) 4.09 0.82 1.26 volume 5.0831e+03 assign (resid 15 and name HN ) (resid 15 and name HG1 ) 4.09 0.82 1.26 volume 5.0831e+03 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.00 0.60 0.60 volume 3.2617e+04 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 2.78 0.56 0.56 volume 7.5410e+06 assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.78 0.56 0.56 volume 7.5410e+06 assign (resid 15 and name HA ) (resid 15 and name HG2 ) 3.12 0.62 0.66 volume 3.7130e+06 assign (resid 15 and name HA ) (resid 15 and name HG1 ) 3.22 0.64 0.71 volume 3.1446e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.91 0.58 0.58 volume 3.9611e+04 assign (resid 15 and name HA ) (resid 18 and name HB# ) 3.45 0.69 0.85 volume 2.9508e+06 assign (resid 15 and name HB2 ) (resid 15 and name HB1 ) 1.94 0.39 0.39 volume 6.5574e+07 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.35 0.67 0.79 volume 1.7022e+04 assign (resid 15 and name HB1 ) (resid 15 and name HG2 ) 2.44 0.49 0.49 volume 1.6393e+07 assign (resid 15 and name HB1 ) (resid 15 and name HG1 ) 2.44 0.49 0.49 volume 1.6393e+07 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.35 0.67 0.79 volume 1.7022e+04 assign (resid 15 and name HG2 ) (resid 15 and name HE21) 3.58 0.72 0.92 volume 1.1435e+04 assign (resid 15 and name HG2 ) (resid 15 and name HE22) 4.50 0.90 1.58 volume 2.8618e+03 assign (resid 15 and name HG1 ) (resid 15 and name HE22) 4.50 0.90 1.58 volume 2.8618e+03 assign (resid 15 and name HE21) (resid 15 and name HE22) 1.84 0.37 0.37 volume 6.2044e+05 assign (resid 16 and name HN ) (resid 16 and name HA ) 2.78 0.56 0.56 volume 5.1491e+04 assign (resid 16 and name HN ) (resid 16 and name HB# ) 2.49 0.50 0.50 volume 1.6686e+05 assign (resid 16 and name HA ) (resid 16 and name HB# ) 2.32 0.46 0.46 volume 2.9185e+07 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.88 0.58 0.58 volume 4.1839e+04 assign (resid 16 and name HB# ) (resid 17 and name HN ) 2.68 0.54 0.54 volume 1.0199e+05 assign (resid 16 and name HB# ) (resid 17 and name HA ) 3.58 0.72 0.92 volume 1.9598e+06 assign (resid 17 and name HN ) (resid 17 and name HA ) 3.34 0.67 0.78 volume 1.7201e+04 assign (resid 17 and name HN ) (resid 17 and name HB# ) 2.58 0.52 0.52 volume 8.0278e+04 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.69 0.54 0.54 volume 6.2942e+04 assign (resid 17 and name HA ) (resid 17 and name HB# ) 2.33 0.47 0.47 volume 2.1675e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.59 0.72 0.93 volume 1.1137e+04 assign (resid 17 and name HA ) (resid 20 and name HB2 ) 4.22 0.84 1.36 volume 6.1512e+05 assign (resid 17 and name HA ) (resid 20 and name HB1 ) 4.21 0.84 1.35 volume 6.2259e+05 assign (resid 17 and name HA ) (resid 20 and name HG2 ) 3.99 0.80 1.19 volume 8.6390e+05 assign (resid 17 and name HA ) (resid 21 and name HD# ) 4.24 0.85 1.37 volume 5.9431e+05 assign (resid 17 and name HA ) (resid 21 and name HE# ) 4.72 0.94 1.76 volume 3.1229e+05 assign (resid 17 and name HB# ) (resid 18 and name HN ) 2.63 0.53 0.53 volume 7.2529e+04 assign (resid 18 and name HN ) (resid 18 and name HA ) 2.71 0.54 0.54 volume 6.0220e+04 assign (resid 18 and name HN ) (resid 18 and name HB# ) 2.44 0.49 0.49 volume 1.8985e+05 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.86 0.57 0.57 volume 4.4268e+04 assign (resid 18 and name HA ) (resid 21 and name HD# ) 3.36 0.67 0.79 volume 2.4515e+06 assign (resid 18 and name HA ) (resid 21 and name HE# ) 4.03 0.81 1.22 volume 8.1541e+05 assign (resid 18 and name HB# ) (resid 19 and name HN ) 2.95 0.59 0.59 volume 5.4996e+04 assign (resid 18 and name HB# ) (resid 19 and name HA ) 3.78 0.76 1.05 volume 1.6393e+06 assign (resid 18 and name HB# ) (resid 21 and name HD# ) 4.38 0.88 1.48 volume 5.6772e+05 assign (resid 19 and name HN ) (resid 19 and name HA ) 2.62 0.52 0.52 volume 7.3624e+04 assign (resid 19 and name HN ) (resid 19 and name HB ) 2.62 0.52 0.52 volume 7.3672e+04 assign (resid 19 and name HN ) (resid 19 and name HG2#) 3.31 0.66 0.76 volume 2.6512e+04 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.49 0.70 0.87 volume 1.3122e+04 assign (resid 19 and name HA ) (resid 19 and name HB ) 2.43 0.49 0.49 volume 1.7113e+07 assign (resid 19 and name HA ) (resid 19 and name HG2#) 2.78 0.56 0.56 volume 9.3603e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.63 0.73 0.95 volume 1.0410e+04 assign (resid 19 and name HA ) (resid 22 and name HB ) 3.01 0.60 0.61 volume 4.6539e+06 assign (resid 19 and name HA ) (resid 22 and name HG2#) 3.61 0.72 0.94 volume 2.1918e+06 assign (resid 19 and name HA ) (resid 22 and name HG11) 3.67 0.73 0.98 volume 1.4258e+06 assign (resid 19 and name HA ) (resid 22 and name HD1#) 3.57 0.71 0.92 volume 2.3726e+06 assign (resid 19 and name HB ) (resid 19 and name HG2#) 2.60 0.52 0.52 volume 1.4381e+07 assign (resid 19 and name HB ) (resid 20 and name HN ) 3.31 0.66 0.76 volume 1.8183e+04 assign (resid 19 and name HG2#) (resid 20 and name HN ) 4.00 0.80 1.20 volume 7.9621e+03 assign (resid 19 and name HG2#) (resid 20 and name HA ) 4.97 0.99 1.97 volume 2.2979e+05 assign (resid 19 and name HG2#) (resid 22 and name HD1#) 3.17 0.63 0.69 volume 5.0902e+06 assign (resid 20 and name HN ) (resid 20 and name HA ) 3.01 0.60 0.61 volume 3.2230e+04 assign (resid 20 and name HN ) (resid 20 and name HB2 ) 2.71 0.54 0.54 volume 6.0414e+04 assign (resid 20 and name HN ) (resid 20 and name HB1 ) 2.71 0.54 0.54 volume 6.0414e+04 assign (resid 20 and name HN ) (resid 20 and name HG2 ) 3.25 0.65 0.73 volume 2.0306e+04 assign (resid 20 and name HN ) (resid 20 and name HG1 ) 3.25 0.65 0.73 volume 2.0306e+04 assign (resid 20 and name HN ) (resid 21 and name HN ) 3.43 0.69 0.83 volume 1.4801e+04 assign (resid 20 and name HA ) (resid 20 and name HB2 ) 2.71 0.54 0.54 volume 8.7000e+06 assign (resid 20 and name HA ) (resid 20 and name HB1 ) 2.83 0.57 0.57 volume 6.7333e+06 assign (resid 20 and name HA ) (resid 20 and name HG2 ) 2.99 0.60 0.60 volume 4.9209e+06 assign (resid 20 and name HA ) (resid 20 and name HG1 ) 3.31 0.66 0.76 volume 2.6325e+06 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.56 0.71 0.91 volume 1.1803e+04 assign (resid 20 and name HB2 ) (resid 20 and name HB1 ) 1.82 0.36 0.36 volume 9.6667e+07 assign (resid 20 and name HB2 ) (resid 20 and name HG2 ) 2.70 0.54 0.54 volume 8.8772e+06 assign (resid 20 and name HB2 ) (resid 20 and name HG1 ) 3.03 0.61 0.62 volume 4.4575e+06 assign (resid 20 and name HB2 ) (resid 21 and name HN ) 3.17 0.63 0.69 volume 2.3559e+04 assign (resid 20 and name HB2 ) (resid 21 and name HD# ) 4.04 0.81 1.23 volume 8.0000e+05 assign (resid 20 and name HB1 ) (resid 20 and name HG2 ) 2.31 0.46 0.46 volume 2.2969e+07 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 3.17 0.63 0.69 volume 2.3559e+04 assign (resid 20 and name HB1 ) (resid 21 and name HE# ) 4.44 0.89 1.53 volume 4.5365e+05 assign (resid 20 and name HG2 ) (resid 20 and name HG1 ) 1.83 0.37 0.37 volume 9.1566e+07 assign (resid 21 and name HN ) (resid 21 and name HA ) 3.45 0.69 0.85 volume 1.4240e+04 assign (resid 21 and name HN ) (resid 21 and name HB2 ) 2.76 0.55 0.55 volume 5.3533e+04 assign (resid 21 and name HN ) (resid 21 and name HB1 ) 2.94 0.59 0.59 volume 3.6894e+04 assign (resid 21 and name HN ) (resid 21 and name HD# ) 3.08 0.62 0.64 volume 2.7878e+04 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.55 0.51 0.51 volume 8.8377e+04 assign (resid 21 and name HA ) (resid 21 and name HB2 ) 2.82 0.56 0.56 volume 6.9092e+06 assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.56 0.51 0.51 volume 1.2250e+07 assign (resid 21 and name HA ) (resid 21 and name HD# ) 2.74 0.55 0.55 volume 8.1140e+06 assign (resid 21 and name HA ) (resid 21 and name HE# ) 4.48 0.90 1.56 volume 4.2745e+05 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.80 0.76 1.06 volume 7.9944e+03 assign (resid 21 and name HA ) (resid 24 and name HD# ) 2.83 0.57 0.57 volume 6.7322e+06 assign (resid 21 and name HA ) (resid 24 and name HE# ) 4.50 0.90 1.58 volume 4.1911e+05 assign (resid 21 and name HB2 ) (resid 21 and name HB1 ) 2.09 0.42 0.42 volume 4.1351e+07 assign (resid 21 and name HB2 ) (resid 21 and name HD# ) 2.70 0.54 0.54 volume 8.9024e+06 assign (resid 21 and name HB2 ) (resid 21 and name HE# ) 3.64 0.73 0.96 volume 1.4913e+06 assign (resid 21 and name HB1 ) (resid 21 and name HD# ) 2.65 0.53 0.53 volume 9.9148e+06 assign (resid 21 and name HB1 ) (resid 21 and name HE# ) 3.84 0.77 1.09 volume 1.0886e+06 assign (resid 21 and name HD# ) (resid 21 and name HE# ) 1.91 0.38 0.38 volume 7.0541e+07 assign (resid 22 and name HN ) (resid 22 and name HA ) 2.45 0.49 0.49 volume 1.1152e+05 assign (resid 22 and name HN ) (resid 22 and name HB ) 2.32 0.46 0.46 volume 1.5158e+05 assign (resid 22 and name HN ) (resid 22 and name HG2#) 2.83 0.57 0.57 volume 7.1602e+04 assign (resid 22 and name HN ) (resid 22 and name HG12) 3.01 0.60 0.61 volume 3.2382e+04 assign (resid 22 and name HN ) (resid 22 and name HG11) 2.76 0.55 0.55 volume 5.4239e+04 assign (resid 22 and name HN ) (resid 22 and name HD1#) 3.17 0.63 0.69 volume 3.4985e+04 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.64 0.53 0.53 volume 7.0083e+04 assign (resid 22 and name HA ) (resid 22 and name HB ) 3.11 0.62 0.66 volume 3.8438e+06 assign (resid 22 and name HA ) (resid 22 and name HG2#) 3.28 0.66 0.75 volume 4.0841e+06 assign (resid 22 and name HA ) (resid 22 and name HG12) 3.28 0.66 0.75 volume 2.7818e+06 assign (resid 22 and name HA ) (resid 22 and name HG11) 3.71 0.74 1.01 volume 1.3213e+06 assign (resid 22 and name HB ) (resid 22 and name HG12) 3.70 0.74 1.00 volume 1.3607e+06 assign (resid 22 and name HB ) (resid 22 and name HG11) 3.14 0.63 0.67 volume 3.6174e+06 assign (resid 22 and name HB ) (resid 22 and name HD1#) 3.14 0.63 0.67 volume 4.3483e+06 assign (resid 22 and name HB ) (resid 23 and name HN ) 3.03 0.61 0.62 volume 3.1192e+04 assign (resid 22 and name HG2#) (resid 22 and name HG12) 3.02 0.60 0.61 volume 4.5811e+06 assign (resid 22 and name HG2#) (resid 23 and name HN ) 3.36 0.67 0.79 volume 2.4058e+04 assign (resid 22 and name HG12) (resid 22 and name HG11) 2.41 0.48 0.48 volume 1.7802e+07 assign (resid 22 and name HG12) (resid 22 and name HD1#) 2.77 0.55 0.55 volume 7.7100e+06 assign (resid 22 and name HG11) (resid 22 and name HD1#) 2.85 0.57 0.57 volume 6.4161e+06 assign (resid 23 and name HN ) (resid 23 and name HA1 ) 2.44 0.49 0.49 volume 1.1395e+05 assign (resid 23 and name HN ) (resid 23 and name HA2 ) 2.44 0.49 0.49 volume 1.1395e+05 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.79 0.56 0.56 volume 5.0823e+04 assign (resid 23 and name HA1 ) (resid 23 and name HA2 ) 1.98 0.40 0.40 volume 5.6965e+07 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 3.09 0.62 0.65 volume 2.7252e+04 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 2.94 0.59 0.59 volume 3.6940e+04 assign (resid 24 and name HN ) (resid 24 and name HA ) 3.42 0.68 0.83 volume 1.4975e+04 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 2.92 0.58 0.58 volume 3.8249e+04 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 2.92 0.58 0.58 volume 3.8249e+04 assign (resid 24 and name HN ) (resid 24 and name HD# ) 2.93 0.59 0.59 volume 3.7660e+04 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.80 0.56 0.56 volume 4.9977e+04 assign (resid 24 and name HA ) (resid 24 and name HB2 ) 2.47 0.49 0.49 volume 1.5558e+07 assign (resid 24 and name HA ) (resid 24 and name HB1 ) 2.47 0.49 0.49 volume 1.5558e+07 assign (resid 24 and name HA ) (resid 24 and name HD# ) 2.82 0.56 0.56 volume 6.8297e+06 assign (resid 24 and name HA ) (resid 24 and name HE# ) 4.22 0.84 1.36 volume 6.1088e+05 assign (resid 24 and name HA ) (resid 25 and name HN ) 3.55 0.71 0.91 volume 1.1874e+04 assign (resid 24 and name HA ) (resid 27 and name HB# ) 2.78 0.56 0.56 volume 9.5461e+06 assign (resid 24 and name HB2 ) (resid 24 and name HD# ) 2.61 0.52 0.52 volume 1.0999e+07 assign (resid 24 and name HB2 ) (resid 24 and name HE# ) 4.22 0.84 1.36 volume 6.1713e+05 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 4.15 0.83 1.31 volume 4.7049e+03 assign (resid 24 and name HB1 ) (resid 24 and name HD# ) 2.58 0.51 0.51 volume 1.1945e+07 assign (resid 24 and name HB1 ) (resid 24 and name HE# ) 4.22 0.84 1.36 volume 6.1713e+05 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 4.15 0.83 1.31 volume 4.7049e+03 assign (resid 24 and name HB1 ) (resid 27 and name HB# ) 3.80 0.76 1.06 volume 1.1547e+06 assign (resid 24 and name HD# ) (resid 24 and name HE# ) 1.79 0.36 0.36 volume 1.0309e+08 assign (resid 24 and name HD# ) (resid 27 and name HB# ) 4.09 0.82 1.26 volume 8.6091e+05 assign (resid 25 and name HN ) (resid 25 and name HA ) 2.81 0.56 0.56 volume 4.8590e+04 assign (resid 25 and name HN ) (resid 25 and name HB# ) 2.85 0.57 0.57 volume 6.9126e+04 assign (resid 25 and name HA ) (resid 25 and name HB# ) 2.83 0.57 0.57 volume 6.8000e+06 assign (resid 25 and name HA ) (resid 26 and name HN ) 3.34 0.67 0.78 volume 1.7355e+04 assign (resid 25 and name HA ) (resid 28 and name HB2 ) 2.63 0.53 0.53 volume 1.0400e+07 assign (resid 25 and name HA ) (resid 28 and name HB1 ) 2.63 0.53 0.53 volume 1.0400e+07 assign (resid 25 and name HA ) (resid 28 and name HG1 ) 4.34 0.87 1.45 volume 5.1780e+05 assign (resid 25 and name HB# ) (resid 26 and name HN ) 2.76 0.55 0.55 volume 8.4452e+04 assign (resid 26 and name HN ) (resid 26 and name HA ) 3.09 0.62 0.65 volume 2.7423e+04 assign (resid 26 and name HN ) (resid 26 and name HB2 ) 2.71 0.54 0.54 volume 6.0689e+04 assign (resid 26 and name HN ) (resid 26 and name HB1 ) 2.71 0.54 0.54 volume 6.0689e+04 assign (resid 26 and name HN ) (resid 26 and name HD1 ) 3.14 0.63 0.67 volume 2.5146e+04 assign (resid 26 and name HN ) (resid 27 and name HN ) 2.83 0.56 0.56 volume 4.7321e+04 assign (resid 26 and name HA ) (resid 26 and name HB2 ) 2.96 0.59 0.59 volume 5.1970e+06 assign (resid 26 and name HA ) (resid 26 and name HB1 ) 3.06 0.61 0.63 volume 4.2494e+06 assign (resid 26 and name HA ) (resid 26 and name HD1 ) 3.90 0.78 1.13 volume 9.9163e+05 assign (resid 26 and name HA ) (resid 26 and name HE3 ) 2.74 0.55 0.55 volume 8.1337e+06 assign (resid 26 and name HA ) (resid 29 and name HN ) 3.48 0.70 0.86 volume 1.3572e+04 assign (resid 26 and name HA ) (resid 29 and name HB ) 2.99 0.60 0.60 volume 4.7895e+06 assign (resid 26 and name HA ) (resid 29 and name HG1#) 3.24 0.65 0.73 volume 3.6130e+06 assign (resid 26 and name HA ) (resid 29 and name HG2#) 2.97 0.59 0.59 volume 6.1057e+06 assign (resid 26 and name HB2 ) (resid 26 and name HB1 ) 2.27 0.45 0.45 volume 2.5289e+07 assign (resid 26 and name HB2 ) (resid 26 and name HD1 ) 3.11 0.62 0.66 volume 3.8023e+06 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 2.65 0.53 0.53 volume 6.9421e+04 assign (resid 26 and name HB1 ) (resid 26 and name HD1 ) 3.21 0.64 0.71 volume 3.1726e+06 assign (resid 26 and name HE3 ) (resid 26 and name HZ3 ) 2.35 0.47 0.47 volume 2.0660e+07 assign (resid 26 and name HE3 ) (resid 26 and name HH2 ) 3.50 0.70 0.88 volume 1.8971e+06 assign (resid 26 and name HE3 ) (resid 29 and name HG1#) 3.24 0.65 0.73 volume 4.3633e+06 assign (resid 26 and name HE3 ) (resid 29 and name HG2#) 3.05 0.61 0.63 volume 6.5449e+06 assign (resid 26 and name HZ3 ) (resid 26 and name HH2 ) 2.14 0.43 0.43 volume 3.5924e+07 assign (resid 26 and name HZ3 ) (resid 29 and name HG1#) 3.44 0.69 0.84 volume 3.0269e+06 assign (resid 26 and name HZ3 ) (resid 29 and name HG2#) 3.78 0.75 1.05 volume 1.4099e+06 assign (resid 27 and name HN ) (resid 27 and name HA ) 2.50 0.50 0.50 volume 9.8409e+04 assign (resid 27 and name HN ) (resid 27 and name HB# ) 2.30 0.46 0.46 volume 2.8053e+05 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.38 0.47 0.47 volume 1.3260e+05 assign (resid 27 and name HA ) (resid 27 and name HB# ) 2.36 0.47 0.47 volume 2.6221e+07 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.31 0.66 0.76 volume 1.8099e+04 assign (resid 27 and name HA ) (resid 30 and name HN ) 3.17 0.63 0.69 volume 2.3355e+04 assign (resid 27 and name HA ) (resid 30 and name HB ) 2.71 0.54 0.54 volume 8.7033e+06 assign (resid 27 and name HA ) (resid 30 and name HG1#) 3.14 0.63 0.67 volume 4.3365e+06 assign (resid 27 and name HA ) (resid 30 and name HG2#) 3.07 0.61 0.63 volume 5.1115e+06 assign (resid 27 and name HB# ) (resid 28 and name HN ) 2.78 0.56 0.56 volume 8.1589e+04 assign (resid 27 and name HB# ) (resid 30 and name HB ) 3.20 0.64 0.70 volume 3.2317e+06 assign (resid 27 and name HB# ) (resid 30 and name HG2#) 4.68 0.94 1.72 volume 4.2883e+05 assign (resid 28 and name HN ) (resid 28 and name HA ) 2.40 0.48 0.48 volume 1.2354e+05 assign (resid 28 and name HN ) (resid 28 and name HB2 ) 2.74 0.55 0.55 volume 5.6280e+04 assign (resid 28 and name HN ) (resid 28 and name HB1 ) 2.53 0.51 0.51 volume 9.0808e+04 assign (resid 28 and name HN ) (resid 28 and name HG1 ) 3.48 0.70 0.86 volume 1.3535e+04 assign (resid 28 and name HA ) (resid 28 and name HB2 ) 2.72 0.54 0.54 volume 8.5289e+06 assign (resid 28 and name HA ) (resid 28 and name HB1 ) 2.52 0.50 0.50 volume 1.3803e+07 assign (resid 28 and name HA ) (resid 28 and name HG2 ) 3.70 0.74 1.00 volume 1.3523e+06 assign (resid 28 and name HA ) (resid 28 and name HG1 ) 4.27 0.85 1.40 volume 5.7364e+05 assign (resid 28 and name HA ) (resid 28 and name HE# ) 3.20 0.64 0.70 volume 3.2328e+06 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.22 0.64 0.71 volume 2.1247e+04 assign (resid 28 and name HA ) (resid 31 and name HN ) 3.00 0.60 0.60 volume 3.2942e+04 assign (resid 28 and name HA ) (resid 31 and name HB ) 2.41 0.48 0.48 volume 1.7551e+07 assign (resid 28 and name HA ) (resid 31 and name HG1#) 3.14 0.63 0.67 volume 4.4109e+06 assign (resid 28 and name HA ) (resid 31 and name HG2#) 2.87 0.57 0.57 volume 6.1875e+06 assign (resid 28 and name HA ) (resid 32 and name HD1#) 4.39 0.88 1.49 volume 4.8618e+05 assign (resid 28 and name HB2 ) (resid 28 and name HB1 ) 2.16 0.43 0.43 volume 3.4003e+07 assign (resid 28 and name HB2 ) (resid 28 and name HG2 ) 2.87 0.57 0.57 volume 6.2101e+06 assign (resid 28 and name HB2 ) (resid 28 and name HG1 ) 3.04 0.61 0.62 volume 4.4355e+06 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.24 0.65 0.73 volume 2.0502e+04 assign (resid 28 and name HB1 ) (resid 28 and name HG2 ) 2.67 0.53 0.53 volume 9.5831e+06 assign (resid 28 and name HB1 ) (resid 28 and name HG1 ) 2.92 0.58 0.58 volume 5.5826e+06 assign (resid 28 and name HB1 ) (resid 32 and name HD1#) 3.31 0.66 0.76 volume 2.6197e+06 assign (resid 28 and name HG2 ) (resid 28 and name HG1 ) 2.05 0.41 0.41 volume 4.7069e+07 assign (resid 28 and name HG2 ) (resid 32 and name HD1#) 3.85 0.77 1.10 volume 1.2520e+06 assign (resid 28 and name HG1 ) (resid 32 and name HD1#) 3.70 0.74 1.00 volume 1.6049e+06 assign (resid 28 and name HE# ) (resid 31 and name HG2#) 3.70 0.74 1.00 volume 1.8845e+06 assign (resid 29 and name HN ) (resid 29 and name HA ) 3.44 0.69 0.84 volume 1.4538e+04 assign (resid 29 and name HN ) (resid 29 and name HB ) 2.59 0.52 0.52 volume 7.8280e+04 assign (resid 29 and name HA ) (resid 29 and name HB ) 2.85 0.57 0.57 volume 6.4927e+06 assign (resid 29 and name HA ) (resid 29 and name HG1#) 2.57 0.51 0.51 volume 1.5360e+07 assign (resid 29 and name HA ) (resid 32 and name HN ) 2.99 0.60 0.60 volume 3.3233e+04 assign (resid 29 and name HA ) (resid 32 and name HB ) 2.67 0.53 0.53 volume 9.6000e+06 assign (resid 29 and name HA ) (resid 32 and name HD1#) 3.24 0.65 0.73 volume 3.5966e+06 assign (resid 29 and name HB ) (resid 29 and name HG1#) 2.51 0.50 0.50 volume 1.7701e+07 assign (resid 29 and name HB ) (resid 29 and name HG2#) 2.45 0.49 0.49 volume 2.0645e+07 assign (resid 29 and name HB ) (resid 30 and name HN ) 2.69 0.54 0.54 volume 6.2649e+04 assign (resid 30 and name HN ) (resid 30 and name HA ) 3.23 0.65 0.72 volume 2.0883e+04 assign (resid 30 and name HN ) (resid 30 and name HB ) 2.43 0.49 0.49 volume 1.1486e+05 assign (resid 30 and name HA ) (resid 30 and name HB ) 2.45 0.49 0.49 volume 1.5981e+07 assign (resid 30 and name HA ) (resid 30 and name HG1#) 2.36 0.47 0.47 volume 2.6230e+07 assign (resid 30 and name HA ) (resid 30 and name HG2#) 2.43 0.49 0.49 volume 2.1509e+07 assign (resid 30 and name HA ) (resid 31 and name HN ) 4.02 0.80 1.21 volume 5.6347e+03 assign (resid 30 and name HA ) (resid 33 and name HN ) 2.82 0.56 0.56 volume 4.7668e+04 assign (resid 30 and name HA ) (resid 33 and name HB ) 2.75 0.55 0.55 volume 8.0860e+06 assign (resid 30 and name HB ) (resid 30 and name HG2#) 2.46 0.49 0.49 volume 1.5524e+07 assign (resid 31 and name HN ) (resid 31 and name HA ) 3.35 0.67 0.79 volume 1.6904e+04 assign (resid 31 and name HN ) (resid 31 and name HB ) 2.37 0.47 0.47 volume 1.3653e+05 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.62 0.52 0.52 volume 7.3181e+04 assign (resid 31 and name HA ) (resid 31 and name HB ) 3.02 0.60 0.61 volume 4.5854e+06 assign (resid 31 and name HA ) (resid 31 and name HG1#) 2.36 0.47 0.47 volume 2.5969e+07 assign (resid 31 and name HA ) (resid 31 and name HG2#) 2.47 0.49 0.49 volume 2.5102e+07 assign (resid 31 and name HB ) (resid 31 and name HG1#) 2.18 0.44 0.44 volume 3.2464e+07 assign (resid 31 and name HB ) (resid 31 and name HG2#) 2.36 0.47 0.47 volume 2.0161e+07 assign (resid 31 and name HB ) (resid 32 and name HN ) 3.01 0.60 0.61 volume 3.1959e+04 assign (resid 31 and name HG1#) (resid 31 and name HG2#) 1.85 0.37 0.37 volume 1.7148e+08 assign (resid 31 and name HG1#) (resid 32 and name HB ) 3.00 0.60 0.60 volume 4.8000e+06 assign (resid 31 and name HG1#) (resid 32 and name HG11) 3.00 0.60 0.60 volume 4.8000e+06 assign (resid 32 and name HN ) (resid 32 and name HA ) 2.71 0.54 0.54 volume 6.0927e+04 assign (resid 32 and name HN ) (resid 32 and name HB ) 2.50 0.50 0.50 volume 9.6929e+04 assign (resid 32 and name HN ) (resid 32 and name HG2#) 3.24 0.65 0.73 volume 3.0463e+04 assign (resid 32 and name HN ) (resid 32 and name HG12) 2.94 0.59 0.59 volume 3.6750e+04 assign (resid 32 and name HN ) (resid 32 and name HG11) 2.60 0.52 0.52 volume 7.7543e+04 assign (resid 32 and name HN ) (resid 32 and name HD1#) 3.24 0.65 0.73 volume 3.0463e+04 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.67 0.53 0.53 volume 6.5764e+04 assign (resid 32 and name HA ) (resid 32 and name HB ) 2.67 0.53 0.53 volume 9.6000e+06 assign (resid 32 and name HA ) (resid 32 and name HG2#) 2.62 0.52 0.52 volume 1.3767e+07 assign (resid 32 and name HA ) (resid 32 and name HG12) 2.65 0.53 0.53 volume 1.0068e+07 assign (resid 32 and name HA ) (resid 32 and name HG11) 2.58 0.52 0.52 volume 1.1720e+07 assign (resid 32 and name HA ) (resid 32 and name HD1#) 3.09 0.62 0.64 volume 4.9063e+06 assign (resid 32 and name HA ) (resid 35 and name HB# ) 2.52 0.50 0.50 volume 1.3594e+07 assign (resid 32 and name HB ) (resid 32 and name HG2#) 2.30 0.46 0.46 volume 2.3353e+07 assign (resid 32 and name HB ) (resid 32 and name HG11) 2.23 0.45 0.45 volume 2.8000e+07 assign (resid 32 and name HB ) (resid 33 and name HN ) 2.85 0.57 0.57 volume 4.4501e+04 assign (resid 32 and name HG2#) (resid 32 and name HG12) 2.50 0.50 0.50 volume 1.4275e+07 assign (resid 32 and name HG2#) (resid 32 and name HG11) 2.69 0.54 0.54 volume 1.1399e+07 assign (resid 32 and name HG2#) (resid 32 and name HD1#) 2.14 0.43 0.43 volume 6.3634e+07 assign (resid 32 and name HG2#) (resid 35 and name HB# ) 3.60 0.72 0.94 volume 2.2636e+06 assign (resid 32 and name HG12) (resid 32 and name HG11) 2.05 0.41 0.41 volume 4.7000e+07 assign (resid 32 and name HG12) (resid 32 and name HD1#) 2.38 0.48 0.48 volume 1.9350e+07 assign (resid 32 and name HG11) (resid 32 and name HD1#) 2.51 0.50 0.50 volume 1.7706e+07 assign (resid 33 and name HN ) (resid 33 and name HA ) 2.21 0.44 0.44 volume 2.0429e+05 assign (resid 33 and name HN ) (resid 33 and name HB ) 2.40 0.48 0.48 volume 1.2482e+05 assign (resid 33 and name HN ) (resid 33 and name HG1#) 2.98 0.60 0.60 volume 5.2026e+04 assign (resid 33 and name HN ) (resid 33 and name HG2#) 2.67 0.53 0.53 volume 1.0402e+05 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.51 0.50 0.50 volume 9.5029e+04 assign (resid 33 and name HA ) (resid 33 and name HB ) 3.13 0.63 0.67 volume 3.6582e+06 assign (resid 33 and name HA ) (resid 33 and name HG1#) 2.49 0.50 0.50 volume 1.8504e+07 assign (resid 33 and name HA ) (resid 33 and name HG2#) 2.51 0.50 0.50 volume 2.2674e+07 assign (resid 33 and name HA ) (resid 36 and name HB ) 2.63 0.53 0.53 volume 1.0570e+07 assign (resid 33 and name HA ) (resid 36 and name HG2#) 3.33 0.67 0.77 volume 3.0909e+06 assign (resid 33 and name HB ) (resid 33 and name HG2#) 2.20 0.44 0.44 volume 3.0242e+07 assign (resid 33 and name HB ) (resid 34 and name HN ) 2.65 0.53 0.53 volume 6.9511e+04 assign (resid 33 and name HG1#) (resid 34 and name HN ) 3.22 0.64 0.71 volume 3.1572e+04 assign (resid 33 and name HG2#) (resid 34 and name HN ) 3.22 0.64 0.71 volume 3.1572e+04 assign (resid 33 and name HG2#) (resid 36 and name HB ) 3.70 0.74 1.00 volume 1.5967e+06 assign (resid 34 and name HN ) (resid 34 and name HA# ) 2.18 0.44 0.44 volume 2.2100e+05 assign (resid 34 and name HA# ) (resid 35 and name HN ) 2.42 0.48 0.48 volume 1.1773e+05 assign (resid 34 and name HA# ) (resid 37 and name HB ) 3.07 0.61 0.64 volume 4.1780e+06 assign (resid 35 and name HN ) (resid 35 and name HA ) 2.53 0.51 0.51 volume 9.0656e+04 assign (resid 35 and name HN ) (resid 35 and name HB# ) 2.47 0.49 0.49 volume 1.7344e+05 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.57 0.51 0.51 volume 8.2628e+04 assign (resid 35 and name HA ) (resid 35 and name HB# ) 2.43 0.49 0.49 volume 2.8220e+07 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.48 0.70 0.86 volume 1.3524e+04 assign (resid 35 and name HA ) (resid 38 and name HA# ) 3.46 0.69 0.85 volume 2.0033e+06 assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.65 0.53 0.53 volume 1.1181e+05 assign (resid 36 and name HN ) (resid 36 and name HA ) 2.51 0.50 0.50 volume 9.4613e+04 assign (resid 36 and name HN ) (resid 36 and name HB ) 2.82 0.56 0.56 volume 4.7375e+04 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.49 0.50 0.50 volume 1.0019e+05 assign (resid 36 and name HA ) (resid 36 and name HB ) 2.61 0.52 0.52 volume 1.0966e+07 assign (resid 36 and name HA ) (resid 36 and name HG2#) 2.49 0.50 0.50 volume 1.8459e+07 assign (resid 36 and name HA ) (resid 39 and name HB ) 2.75 0.55 0.55 volume 8.0633e+06 assign (resid 36 and name HA ) (resid 39 and name HG2#) 3.79 0.76 1.06 volume 1.6250e+06 assign (resid 36 and name HA ) (resid 39 and name HD1#) 3.25 0.65 0.73 volume 4.3233e+06 assign (resid 36 and name HB ) (resid 36 and name HG2#) 2.32 0.46 0.46 volume 2.9029e+07 assign (resid 36 and name HB ) (resid 37 and name HN ) 2.71 0.54 0.54 volume 6.0786e+04 assign (resid 36 and name HG2#) (resid 39 and name HB ) 4.33 0.87 1.44 volume 5.2384e+05 assign (resid 37 and name HN ) (resid 37 and name HA ) 2.46 0.49 0.49 volume 1.0681e+05 assign (resid 37 and name HN ) (resid 37 and name HB ) 2.47 0.49 0.49 volume 1.0624e+05 assign (resid 37 and name HN ) (resid 37 and name HG12) 2.76 0.55 0.55 volume 5.4639e+04 assign (resid 37 and name HN ) (resid 37 and name HG11) 2.59 0.52 0.52 volume 7.9682e+04 assign (resid 37 and name HN ) (resid 37 and name HD1#) 2.98 0.60 0.60 volume 5.2211e+04 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.63 0.53 0.53 volume 7.0701e+04 assign (resid 37 and name HA ) (resid 37 and name HB ) 3.09 0.62 0.65 volume 4.0000e+06 assign (resid 37 and name HA ) (resid 37 and name HG2#) 2.60 0.52 0.52 volume 1.4537e+07 assign (resid 37 and name HA ) (resid 37 and name HG12) 2.91 0.58 0.58 volume 5.6573e+06 assign (resid 37 and name HA ) (resid 37 and name HG11) 2.83 0.57 0.57 volume 6.8000e+06 assign (resid 37 and name HA ) (resid 37 and name HD1#) 2.55 0.51 0.51 volume 1.2602e+07 assign (resid 37 and name HA ) (resid 40 and name HB2 ) 3.43 0.69 0.83 volume 2.1317e+06 assign (resid 37 and name HA ) (resid 40 and name HB1 ) 3.34 0.67 0.78 volume 2.5050e+06 assign (resid 37 and name HB ) (resid 37 and name HG2#) 2.31 0.46 0.46 volume 2.2692e+07 assign (resid 37 and name HB ) (resid 37 and name HG12) 3.28 0.66 0.75 volume 2.8000e+06 assign (resid 37 and name HB ) (resid 37 and name HD1#) 2.40 0.48 0.48 volume 1.8136e+07 assign (resid 37 and name HB ) (resid 38 and name HN ) 2.50 0.50 0.50 volume 9.8357e+04 assign (resid 37 and name HG2#) (resid 37 and name HG12) 2.66 0.53 0.53 volume 1.2372e+07 assign (resid 37 and name HG2#) (resid 37 and name HG11) 2.62 0.52 0.52 volume 1.3710e+07 assign (resid 37 and name HG12) (resid 37 and name HG11) 2.10 0.42 0.42 volume 4.1067e+07 assign (resid 37 and name HG12) (resid 37 and name HD1#) 2.24 0.45 0.45 volume 3.5781e+07 assign (resid 38 and name HN ) (resid 38 and name HA# ) 2.00 0.40 0.40 volume 3.7056e+05 assign (resid 38 and name HN ) (resid 39 and name HN ) 2.70 0.54 0.54 volume 6.1422e+04 assign (resid 38 and name HA# ) (resid 39 and name HN ) 2.75 0.55 0.55 volume 5.4979e+04 assign (resid 38 and name HA# ) (resid 41 and name HB2 ) 3.45 0.69 0.85 volume 2.0384e+06 assign (resid 39 and name HN ) (resid 39 and name HA ) 2.84 0.57 0.57 volume 4.5816e+04 assign (resid 39 and name HN ) (resid 39 and name HB ) 2.52 0.50 0.50 volume 9.3923e+04 assign (resid 39 and name HN ) (resid 39 and name HG12) 3.34 0.67 0.78 volume 1.7231e+04 assign (resid 39 and name HN ) (resid 39 and name HG11) 2.52 0.50 0.50 volume 9.3923e+04 assign (resid 39 and name HN ) (resid 39 and name HD1#) 3.15 0.63 0.68 volume 3.5984e+04 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.68 0.54 0.54 volume 6.3904e+04 assign (resid 39 and name HA ) (resid 39 and name HB ) 2.91 0.58 0.58 volume 5.6578e+06 assign (resid 39 and name HA ) (resid 39 and name HG2#) 2.88 0.58 0.58 volume 7.5522e+06 assign (resid 39 and name HA ) (resid 39 and name HG12) 3.08 0.62 0.64 volume 4.0750e+06 assign (resid 39 and name HA ) (resid 39 and name HG11) 2.89 0.58 0.58 volume 6.0529e+06 assign (resid 39 and name HA ) (resid 39 and name HD1#) 3.31 0.66 0.76 volume 3.8440e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 4.00 0.80 1.20 volume 5.8399e+03 assign (resid 39 and name HA ) (resid 42 and name HB2 ) 3.06 0.61 0.63 volume 4.2337e+06 assign (resid 39 and name HA ) (resid 42 and name HB1 ) 3.00 0.60 0.60 volume 4.7712e+06 assign (resid 39 and name HB ) (resid 39 and name HG2#) 2.81 0.56 0.56 volume 7.0078e+06 assign (resid 39 and name HB ) (resid 39 and name HG12) 2.78 0.56 0.56 volume 7.6000e+06 assign (resid 39 and name HB ) (resid 39 and name HD1#) 2.56 0.51 0.51 volume 1.2273e+07 assign (resid 39 and name HG2#) (resid 39 and name HG12) 2.82 0.56 0.56 volume 1.0740e+07 assign (resid 39 and name HG2#) (resid 39 and name HG11) 2.70 0.54 0.54 volume 1.1179e+07 assign (resid 39 and name HG2#) (resid 40 and name HA ) 3.55 0.71 0.91 volume 1.7236e+06 assign (resid 39 and name HG12) (resid 39 and name HD1#) 2.25 0.45 0.45 volume 3.5112e+07 assign (resid 39 and name HG11) (resid 39 and name HD1#) 2.62 0.52 0.52 volume 1.7272e+07 assign (resid 40 and name HN ) (resid 40 and name HA ) 2.80 0.56 0.56 volume 4.9834e+04 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.94 0.59 0.59 volume 3.7208e+04 assign (resid 40 and name HA ) (resid 43 and name HB1 ) 3.23 0.65 0.72 volume 3.0459e+06 assign (resid 40 and name HB1 ) (resid 40 and name HG# ) 3.06 0.61 0.63 volume 4.2217e+06 assign (resid 40 and name HE2 ) (resid 41 and name HD##) 5.05 1.01 2.05 volume 2.1033e+05 assign (resid 41 and name HN ) (resid 41 and name HA ) 2.71 0.54 0.54 volume 6.0145e+04 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 2.52 0.50 0.50 volume 9.4449e+04 assign (resid 41 and name HN ) (resid 41 and name HG ) 2.52 0.50 0.50 volume 9.4449e+04 assign (resid 41 and name HN ) (resid 41 and name HD##) 3.12 0.62 0.66 volume 2.6018e+04 assign (resid 41 and name HA ) (resid 41 and name HB2 ) 2.86 0.57 0.57 volume 6.4345e+06 assign (resid 41 and name HA ) (resid 41 and name HB1 ) 3.20 0.64 0.70 volume 3.2625e+06 assign (resid 41 and name HA ) (resid 41 and name HG ) 3.67 0.73 0.98 volume 1.4151e+06 assign (resid 41 and name HA ) (resid 42 and name HN ) 2.81 0.56 0.56 volume 4.9058e+04 assign (resid 41 and name HB2 ) (resid 41 and name HB1 ) 2.29 0.46 0.46 volume 2.4236e+07 assign (resid 41 and name HB2 ) (resid 41 and name HG ) 3.28 0.66 0.75 volume 2.7653e+06 assign (resid 41 and name HB2 ) (resid 41 and name HD##) 2.66 0.53 0.53 volume 9.8582e+06 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 2.89 0.58 0.58 volume 4.1412e+04 assign (resid 41 and name HB1 ) (resid 41 and name HG ) 2.93 0.59 0.59 volume 5.5425e+06 assign (resid 41 and name HG ) (resid 42 and name HN ) 2.56 0.51 0.51 volume 8.5634e+04 assign (resid 42 and name HN ) (resid 42 and name HA ) 3.20 0.64 0.70 volume 2.2441e+04 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 2.45 0.49 0.49 volume 1.0996e+05 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 2.45 0.49 0.49 volume 1.0996e+05 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.66 0.53 0.53 volume 6.6748e+04 assign (resid 42 and name HA ) (resid 42 and name HB2 ) 2.52 0.50 0.50 volume 1.3641e+07 assign (resid 42 and name HA ) (resid 42 and name HB1 ) 2.68 0.54 0.54 volume 9.3187e+06 assign (resid 42 and name HA ) (resid 42 and name HD# ) 3.16 0.63 0.69 volume 3.4722e+06 assign (resid 42 and name HA ) (resid 45 and name HB2 ) 3.74 0.75 1.02 volume 1.2745e+06 assign (resid 42 and name HA ) (resid 45 and name HB1 ) 2.59 0.52 0.52 volume 1.1607e+07 assign (resid 42 and name HB2 ) (resid 42 and name HB1 ) 1.98 0.40 0.40 volume 5.7823e+07 assign (resid 42 and name HB2 ) (resid 42 and name HD# ) 2.97 0.59 0.59 volume 5.0980e+06 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.09 0.62 0.65 volume 2.7471e+04 assign (resid 42 and name HB1 ) (resid 42 and name HD# ) 2.97 0.59 0.59 volume 5.0980e+06 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 3.09 0.62 0.65 volume 2.7471e+04 assign (resid 43 and name HN ) (resid 43 and name HA ) 2.89 0.58 0.58 volume 4.1383e+04 assign (resid 43 and name HN ) (resid 43 and name HB2 ) 2.79 0.56 0.56 volume 5.1068e+04 assign (resid 43 and name HN ) (resid 43 and name HB1 ) 2.79 0.56 0.56 volume 5.1068e+04 assign (resid 43 and name HN ) (resid 43 and name HG2 ) 2.99 0.60 0.60 volume 3.3613e+04 assign (resid 43 and name HN ) (resid 44 and name HN ) 3.03 0.61 0.62 volume 3.0798e+04 assign (resid 43 and name HA ) (resid 43 and name HB2 ) 2.95 0.59 0.59 volume 5.2459e+06 assign (resid 43 and name HA ) (resid 43 and name HB1 ) 2.95 0.59 0.59 volume 5.2459e+06 assign (resid 43 and name HA ) (resid 43 and name HG2 ) 3.02 0.60 0.61 volume 4.5755e+06 assign (resid 43 and name HA ) (resid 43 and name HG1 ) 3.10 0.62 0.65 volume 3.9154e+06 assign (resid 43 and name HA ) (resid 43 and name HD# ) 3.06 0.61 0.63 volume 4.2107e+06 assign (resid 43 and name HA ) (resid 43 and name HE# ) 3.71 0.74 1.01 volume 1.3336e+06 assign (resid 43 and name HA ) (resid 44 and name HN ) 3.38 0.68 0.80 volume 1.6093e+04 assign (resid 43 and name HG2 ) (resid 44 and name HG1 ) 3.55 0.71 0.91 volume 1.7396e+06 assign (resid 43 and name HG1 ) (resid 43 and name HE# ) 3.76 0.75 1.04 volume 1.6942e+06 assign (resid 43 and name HD# ) (resid 43 and name HE# ) 2.57 0.51 0.51 volume 1.9672e+07 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.70 0.54 0.54 volume 6.0893e+04 assign (resid 44 and name HA ) (resid 44 and name HB2 ) 2.67 0.53 0.53 volume 9.6703e+06 assign (resid 44 and name HA ) (resid 45 and name HN ) 2.86 0.57 0.57 volume 4.3232e+04 assign (resid 44 and name HB2 ) (resid 44 and name HG2 ) 3.36 0.67 0.79 volume 2.4501e+06 assign (resid 44 and name HB2 ) (resid 44 and name HG1 ) 3.05 0.61 0.63 volume 4.3255e+06 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 2.74 0.55 0.55 volume 5.5879e+04 assign (resid 44 and name HB1 ) (resid 44 and name HG2 ) 3.34 0.67 0.78 volume 2.5213e+06 assign (resid 44 and name HB1 ) (resid 44 and name HG1 ) 3.10 0.62 0.65 volume 3.9599e+06 assign (resid 44 and name HB1 ) (resid 44 and name HE# ) 3.98 0.80 1.19 volume 1.0179e+06 assign (resid 44 and name HG2 ) (resid 44 and name HD2 ) 3.05 0.61 0.63 volume 4.2904e+06 assign (resid 44 and name HG2 ) (resid 44 and name HD1 ) 4.03 0.81 1.22 volume 8.0645e+05 assign (resid 44 and name HG2 ) (resid 44 and name HE# ) 3.33 0.67 0.78 volume 2.5456e+06 assign (resid 44 and name HG1 ) (resid 44 and name HD2 ) 2.73 0.55 0.55 volume 8.4537e+06 assign (resid 44 and name HG1 ) (resid 44 and name HD1 ) 2.69 0.54 0.54 volume 9.1368e+06 assign (resid 44 and name HG1 ) (resid 44 and name HE# ) 3.97 0.79 1.18 volume 1.0344e+06 assign (resid 44 and name HD1 ) (resid 44 and name HE# ) 3.09 0.62 0.65 volume 5.9150e+06 assign (resid 45 and name HN ) (resid 45 and name HB2 ) 2.57 0.51 0.51 volume 8.2750e+04 assign (resid 45 and name HN ) (resid 45 and name HB1 ) 3.23 0.65 0.72 volume 2.1052e+04 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.66 0.53 0.53 volume 6.7113e+04 assign (resid 45 and name HA ) (resid 45 and name HB2 ) 2.84 0.57 0.57 volume 6.6668e+06 assign (resid 45 and name HA ) (resid 45 and name HB1 ) 2.78 0.56 0.56 volume 7.5458e+06 assign (resid 45 and name HB2 ) (resid 45 and name HB1 ) 1.99 0.40 0.40 volume 5.5856e+07 assign (resid 45 and name HB1 ) (resid 46 and name HG2#) 3.97 0.79 1.18 volume 1.0370e+06 assign (resid 46 and name HN ) (resid 46 and name HA ) 2.37 0.47 0.47 volume 1.3653e+05 assign (resid 46 and name HN ) (resid 46 and name HG2#) 2.83 0.57 0.57 volume 7.2157e+04 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.45 0.49 0.49 volume 1.1076e+05 assign (resid 46 and name HA ) (resid 46 and name HB ) 2.43 0.49 0.49 volume 1.6712e+07 assign (resid 46 and name HA ) (resid 46 and name HG2#) 2.66 0.53 0.53 volume 1.2178e+07 assign (resid 46 and name HA ) (resid 47 and name HN ) 2.99 0.60 0.60 volume 3.3738e+04 assign (resid 46 and name HB ) (resid 46 and name HG2#) 2.60 0.52 0.52 volume 1.4490e+07 assign (resid 47 and name HN ) (resid 47 and name HA ) 3.07 0.61 0.64 volume 2.8431e+04 assign (resid 47 and name HN ) (resid 47 and name HB# ) 2.61 0.52 0.52 volume 7.5895e+04 assign (resid 47 and name HA ) (resid 47 and name HB# ) 2.51 0.50 0.50 volume 1.3845e+07 assign (resid 47 and name HB# ) (resid 48 and name HN ) 2.82 0.56 0.56 volume 2.0735e+04 assign (resid 48 and name HN ) (resid 48 and name HA ) 1.97 0.39 0.39 volume 7.7907e+04 assign (resid 48 and name HN ) (resid 48 and name HB2 ) 2.62 0.52 0.52 volume 1.3820e+04 assign (resid 48 and name HN ) (resid 48 and name HG# ) 2.56 0.51 0.51 volume 1.5999e+04 assign (resid 48 and name HN ) (resid 48 and name HD# ) 2.62 0.52 0.52 volume 1.3820e+04 assign (resid 48 and name HA ) (resid 48 and name HB2 ) 2.98 0.60 0.60 volume 9.4006e+05 assign (resid 48 and name HA ) (resid 48 and name HB1 ) 2.67 0.53 0.53 volume 1.8223e+06 assign (resid 48 and name HA ) (resid 48 and name HG# ) 3.26 0.65 0.74 volume 5.4790e+05 assign (resid 48 and name HA ) (resid 48 and name HD# ) 2.97 0.59 0.59 volume 9.4861e+05 assign (resid 48 and name HB2 ) (resid 48 and name HB1 ) 1.70 0.34 0.34 volume 2.6818e+07 assign (resid 48 and name HB2 ) (resid 48 and name HG# ) 2.29 0.46 0.46 volume 4.5000e+06 assign (resid 48 and name HB1 ) (resid 48 and name HG# ) 2.39 0.48 0.48 volume 3.5229e+06 assign (resid 48 and name HG# ) (resid 48 and name HD# ) 1.63 0.33 0.33 volume 3.4059e+07 assign (resid 48 and name HG# ) (resid 48 and name HE# ) 3.33 0.67 0.78 volume 6.3366e+05 assign (resid 48 and name HD# ) (resid 48 and name HE# ) 2.10 0.42 0.42 volume 1.1881e+07 assign (resid 49 and name HN ) (resid 49 and name HA ) 2.38 0.48 0.48 volume 2.4602e+04 assign (resid 49 and name HN ) (resid 49 and name HB# ) 1.57 0.31 0.31 volume 5.3899e+05 assign (resid 49 and name HA ) (resid 49 and name HB# ) 2.46 0.49 0.49 volume 3.5327e+06 assign (resid 49 and name HA ) (resid 50 and name HN ) 2.64 0.53 0.53 volume 1.3260e+04 assign (resid 50 and name HA ) (resid 50 and name HB# ) 2.57 0.51 0.51 volume 2.2672e+06
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