NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
17468 | 2cps | 4197 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 1 and name HA ) (resid 1 and name HB# ) 2.91 0.58 0.58 volume 1.1737e+06 assign (resid 2 and name HN ) (resid 2 and name HA ) 2.24 0.45 0.45 volume 3.8731e+04 assign (resid 2 and name HA ) (resid 2 and name HB2 ) 2.98 0.60 0.60 volume 8.6647e+05 assign (resid 2 and name HA ) (resid 3 and name HN ) 2.29 0.46 0.46 volume 3.3800e+04 assign (resid 2 and name HB2 ) (resid 2 and name HG# ) 2.54 0.51 0.51 volume 2.7047e+06 assign (resid 2 and name HB1 ) (resid 2 and name HG# ) 2.15 0.43 0.43 volume 7.6048e+06 assign (resid 3 and name HN ) (resid 3 and name HA1 ) 2.30 0.46 0.46 volume 3.3216e+04 assign (resid 3 and name HN ) (resid 3 and name HA2 ) 2.34 0.47 0.47 volume 2.9926e+04 assign (resid 3 and name HA1 ) (resid 4 and name HN ) 2.59 0.52 0.52 volume 1.6514e+04 assign (resid 3 and name HA2 ) (resid 4 and name HN ) 2.79 0.56 0.56 volume 1.0339e+04 assign (resid 4 and name HN ) (resid 4 and name HA ) 3.29 0.66 0.75 volume 3.9019e+03 assign (resid 4 and name HN ) (resid 4 and name HB2 ) 2.72 0.54 0.54 volume 1.2107e+04 assign (resid 4 and name HN ) (resid 4 and name HB1 ) 2.63 0.53 0.53 volume 1.5068e+04 assign (resid 4 and name HN ) (resid 5 and name HN ) 3.05 0.61 0.63 volume 6.1346e+03 assign (resid 4 and name HA ) (resid 4 and name HB2 ) 2.77 0.55 0.55 volume 1.3514e+06 assign (resid 4 and name HA ) (resid 4 and name HB1 ) 2.82 0.56 0.56 volume 1.2126e+06 assign (resid 4 and name HA ) (resid 5 and name HN ) 2.88 0.58 0.58 volume 8.7391e+03 assign (resid 5 and name HN ) (resid 5 and name HA ) 2.28 0.46 0.46 volume 3.5636e+04 assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.07 0.61 0.63 volume 5.9823e+03 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 2.55 0.51 0.51 volume 2.2192e+06 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 2.61 0.52 0.52 volume 1.9389e+06 assign (resid 5 and name HA ) (resid 6 and name HA ) 4.19 0.84 1.34 volume 2.5851e+05 assign (resid 5 and name HA ) (resid 6 and name HG# ) 3.56 0.71 0.91 volume 6.9370e+05 assign (resid 5 and name HA ) (resid 6 and name HD2 ) 2.42 0.48 0.48 volume 7.0242e+06 assign (resid 5 and name HA ) (resid 6 and name HD1 ) 2.38 0.48 0.48 volume 7.7562e+06 assign (resid 6 and name HA ) (resid 6 and name HB2 ) 2.82 0.56 0.56 volume 6.5550e+06 assign (resid 6 and name HA ) (resid 6 and name HB1 ) 2.54 0.51 0.51 volume 1.2145e+07 assign (resid 6 and name HA ) (resid 6 and name HG# ) 3.15 0.63 0.68 volume 3.3013e+06 assign (resid 6 and name HA ) (resid 6 and name HD2 ) 4.03 0.81 1.22 volume 7.6743e+05 assign (resid 6 and name HA ) (resid 6 and name HD1 ) 3.76 0.75 1.04 volume 1.1592e+06 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.61 0.72 0.94 volume 1.1940e+04 assign (resid 6 and name HA ) (resid 9 and name HN ) 3.96 0.79 1.17 volume 6.8254e+03 assign (resid 6 and name HB2 ) (resid 6 and name HB1 ) 2.09 0.42 0.42 volume 3.9055e+07 assign (resid 6 and name HB2 ) (resid 6 and name HG# ) 2.15 0.43 0.43 volume 3.2644e+07 assign (resid 6 and name HB2 ) (resid 6 and name HD2 ) 3.81 0.76 1.07 volume 1.0621e+06 assign (resid 6 and name HB2 ) (resid 6 and name HD1 ) 3.54 0.71 0.90 volume 1.6541e+06 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 3.32 0.66 0.77 volume 1.9678e+04 assign (resid 6 and name HB1 ) (resid 6 and name HG# ) 2.49 0.50 0.50 volume 1.3489e+07 assign (resid 6 and name HB1 ) (resid 6 and name HD2 ) 3.97 0.79 1.18 volume 8.2935e+05 assign (resid 6 and name HB1 ) (resid 6 and name HD1 ) 4.21 0.84 1.35 volume 5.8147e+05 assign (resid 6 and name HG# ) (resid 6 and name HD2 ) 2.72 0.54 0.54 volume 8.1912e+06 assign (resid 6 and name HG# ) (resid 6 and name HD1 ) 2.68 0.54 0.54 volume 8.8223e+06 assign (resid 6 and name HG# ) (resid 7 and name HN ) 3.15 0.63 0.68 volume 2.6963e+04 assign (resid 6 and name HD2 ) (resid 7 and name HA ) 3.68 0.74 0.99 volume 1.3181e+06 assign (resid 6 and name HD1 ) (resid 7 and name HN ) 3.58 0.72 0.92 volume 1.2528e+04 assign (resid 7 and name HN ) (resid 7 and name HA ) 2.88 0.58 0.58 volume 4.6198e+04 assign (resid 7 and name HN ) (resid 7 and name HB# ) 2.64 0.53 0.53 volume 1.2333e+05 assign (resid 7 and name HN ) (resid 8 and name HN ) 2.70 0.54 0.54 volume 6.7495e+04 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.21 0.64 0.71 volume 2.4139e+04 assign (resid 8 and name HN ) (resid 8 and name HA ) 2.77 0.55 0.55 volume 5.7889e+04 assign (resid 8 and name HN ) (resid 8 and name HB2 ) 2.86 0.57 0.57 volume 4.8217e+04 assign (resid 8 and name HN ) (resid 8 and name HB1 ) 2.86 0.57 0.57 volume 4.8217e+04 assign (resid 8 and name HN ) (resid 8 and name HG1 ) 3.16 0.63 0.68 volume 2.6188e+04 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.73 0.55 0.55 volume 6.3709e+04 assign (resid 8 and name HA ) (resid 8 and name HG2 ) 3.76 0.75 1.04 volume 1.1533e+06 assign (resid 8 and name HA ) (resid 8 and name HG1 ) 3.70 0.74 1.00 volume 1.2625e+06 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.17 0.63 0.69 volume 2.6022e+04 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.52 0.70 0.89 volume 1.3863e+04 assign (resid 8 and name HA ) (resid 11 and name HB2 ) 3.53 0.71 0.89 volume 1.6786e+06 assign (resid 8 and name HA ) (resid 11 and name HB1 ) 3.31 0.66 0.76 volume 2.4770e+06 assign (resid 8 and name HA ) (resid 12 and name HN ) 3.37 0.67 0.80 volume 1.7848e+04 assign (resid 8 and name HB2 ) (resid 8 and name HG2 ) 3.21 0.64 0.71 volume 2.9795e+06 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.22 0.64 0.71 volume 2.3643e+04 assign (resid 8 and name HB1 ) (resid 8 and name HG2 ) 3.21 0.64 0.71 volume 2.9795e+06 assign (resid 8 and name HB1 ) (resid 9 and name HN ) 3.22 0.64 0.71 volume 2.3643e+04 assign (resid 8 and name HG2 ) (resid 8 and name HD# ) 2.73 0.55 0.55 volume 7.8906e+06 assign (resid 8 and name HG2 ) (resid 8 and name HE# ) 4.28 0.86 1.40 volume 7.0889e+05 assign (resid 8 and name HG1 ) (resid 8 and name HE# ) 4.43 0.89 1.52 volume 5.6812e+05 assign (resid 9 and name HN ) (resid 9 and name HA ) 2.77 0.55 0.55 volume 5.8275e+04 assign (resid 9 and name HA ) (resid 12 and name HB2 ) 3.37 0.67 0.80 volume 2.2349e+06 assign (resid 9 and name HA ) (resid 12 and name HB1 ) 3.20 0.64 0.71 volume 3.0252e+06 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.85 0.57 0.57 volume 4.9038e+04 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.34 0.67 0.78 volume 1.9000e+04 assign (resid 10 and name HA ) (resid 13 and name HB1 ) 2.71 0.54 0.54 volume 8.2528e+06 assign (resid 10 and name HB# ) (resid 11 and name HN ) 2.96 0.59 0.59 volume 5.9111e+04 assign (resid 11 and name HN ) (resid 11 and name HA ) 2.78 0.56 0.56 volume 5.7007e+04 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 2.70 0.54 0.54 volume 6.8115e+04 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 2.70 0.54 0.54 volume 6.8115e+04 assign (resid 11 and name HN ) (resid 11 and name HD# ) 4.39 0.88 1.49 volume 3.6444e+03 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.10 0.62 0.65 volume 3.0112e+04 assign (resid 11 and name HA ) (resid 11 and name HB2 ) 2.60 0.52 0.52 volume 1.0486e+07 assign (resid 11 and name HA ) (resid 11 and name HB1 ) 2.91 0.58 0.58 volume 5.3319e+06 assign (resid 11 and name HA ) (resid 11 and name HD# ) 3.20 0.64 0.71 volume 2.9909e+06 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.01 0.60 0.61 volume 3.5416e+04 assign (resid 11 and name HA ) (resid 14 and name HB2 ) 3.63 0.73 0.95 volume 1.4131e+06 assign (resid 11 and name HA ) (resid 14 and name HD##) 3.23 0.65 0.72 volume 2.8788e+06 assign (resid 11 and name HB2 ) (resid 11 and name HD# ) 3.26 0.65 0.73 volume 2.7238e+06 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.07 0.61 0.64 volume 3.1370e+04 assign (resid 11 and name HB1 ) (resid 11 and name HD# ) 3.12 0.62 0.66 volume 3.5476e+06 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 3.07 0.61 0.64 volume 3.1370e+04 assign (resid 11 and name HD# ) (resid 12 and name HN ) 4.02 0.80 1.21 volume 6.2402e+03 assign (resid 12 and name HN ) (resid 12 and name HA ) 3.25 0.65 0.73 volume 2.2312e+04 assign (resid 12 and name HN ) (resid 12 and name HB2 ) 2.78 0.56 0.56 volume 5.6729e+04 assign (resid 12 and name HN ) (resid 12 and name HB1 ) 2.78 0.56 0.56 volume 5.6729e+04 assign (resid 12 and name HN ) (resid 12 and name HD22) 4.08 0.82 1.26 volume 5.6783e+03 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.89 0.58 0.58 volume 4.4636e+04 assign (resid 12 and name HA ) (resid 12 and name HB2 ) 2.66 0.53 0.53 volume 9.2572e+06 assign (resid 12 and name HA ) (resid 12 and name HB1 ) 2.94 0.59 0.59 volume 5.0650e+06 assign (resid 12 and name HA ) (resid 15 and name HB2 ) 3.55 0.71 0.90 volume 1.6427e+06 assign (resid 12 and name HA ) (resid 15 and name HB1 ) 3.70 0.74 1.00 volume 1.2754e+06 assign (resid 12 and name HA ) (resid 15 and name HG2 ) 4.68 0.94 1.72 volume 3.0907e+05 assign (resid 12 and name HA ) (resid 15 and name HG1 ) 4.31 0.86 1.43 volume 5.0509e+05 assign (resid 12 and name HB2 ) (resid 13 and name HN ) 3.21 0.64 0.71 volume 2.4130e+04 assign (resid 12 and name HB1 ) (resid 13 and name HN ) 3.03 0.61 0.62 volume 3.3924e+04 assign (resid 12 and name HD21) (resid 12 and name HD22) 1.87 0.37 0.37 volume 6.1220e+05 assign (resid 13 and name HN ) (resid 13 and name HA ) 2.78 0.56 0.56 volume 5.6800e+04 assign (resid 13 and name HN ) (resid 13 and name HB2 ) 2.83 0.57 0.57 volume 5.0689e+04 assign (resid 13 and name HN ) (resid 13 and name HB1 ) 2.83 0.57 0.57 volume 5.0689e+04 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.84 0.57 0.57 volume 4.9984e+04 assign (resid 13 and name HA ) (resid 13 and name HB2 ) 2.73 0.55 0.55 volume 7.9114e+06 assign (resid 13 and name HA ) (resid 13 and name HB1 ) 2.75 0.55 0.55 volume 7.5576e+06 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.52 0.70 0.89 volume 1.3831e+04 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.44 0.69 0.84 volume 2.8409e+06 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.72 0.74 1.01 volume 9.9159e+03 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 3.72 0.74 1.01 volume 9.9159e+03 assign (resid 13 and name HB1 ) (resid 14 and name HA ) 3.20 0.64 0.70 volume 3.0473e+06 assign (resid 14 and name HN ) (resid 14 and name HA ) 2.79 0.56 0.56 volume 5.6254e+04 assign (resid 14 and name HN ) (resid 14 and name HB2 ) 2.97 0.59 0.59 volume 3.8496e+04 assign (resid 14 and name HN ) (resid 14 and name HD##) 3.20 0.64 0.70 volume 2.4687e+04 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.91 0.58 0.58 volume 4.3892e+04 assign (resid 14 and name HA ) (resid 14 and name HB2 ) 2.86 0.57 0.57 volume 5.9879e+06 assign (resid 14 and name HA ) (resid 14 and name HD1#) 2.86 0.57 0.57 volume 5.8990e+06 assign (resid 14 and name HA ) (resid 14 and name HD2#) 3.18 0.64 0.69 volume 3.1457e+06 assign (resid 14 and name HA ) (resid 14 and name HD##) 2.58 0.52 0.52 volume 1.1124e+07 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.00 0.60 0.60 volume 3.5930e+04 assign (resid 14 and name HA ) (resid 17 and name HN ) 3.32 0.66 0.77 volume 1.9445e+04 assign (resid 14 and name HA ) (resid 17 and name HB# ) 2.97 0.59 0.59 volume 4.7899e+06 assign (resid 14 and name HB2 ) (resid 14 and name HB1 ) 2.16 0.43 0.43 volume 3.1763e+07 assign (resid 14 and name HB2 ) (resid 14 and name HG ) 2.41 0.48 0.48 volume 1.6754e+07 assign (resid 14 and name HB2 ) (resid 14 and name HD1#) 3.98 0.80 1.19 volume 8.1417e+05 assign (resid 14 and name HB2 ) (resid 14 and name HD2#) 3.23 0.65 0.72 volume 2.8875e+06 assign (resid 14 and name HB2 ) (resid 14 and name HD##) 2.90 0.58 0.58 volume 5.5205e+06 assign (resid 14 and name HB2 ) (resid 15 and name HN ) 3.28 0.66 0.75 volume 2.1192e+04 assign (resid 14 and name HB1 ) (resid 14 and name HD##) 2.90 0.58 0.58 volume 5.4361e+06 assign (resid 14 and name HB1 ) (resid 15 and name HN ) 3.64 0.73 0.96 volume 1.1293e+04 assign (resid 14 and name HG ) (resid 14 and name HD##) 2.61 0.52 0.52 volume 1.0352e+07 assign (resid 14 and name HG ) (resid 15 and name HN ) 3.64 0.73 0.96 volume 1.1293e+04 assign (resid 14 and name HD1#) (resid 17 and name HB# ) 3.87 0.77 1.11 volume 9.6943e+05 assign (resid 14 and name HD2#) (resid 15 and name HB2 ) 4.09 0.82 1.26 volume 6.9816e+05 assign (resid 14 and name HD2#) (resid 15 and name HB1 ) 4.41 0.88 1.50 volume 4.4179e+05 assign (resid 14 and name HD2#) (resid 15 and name HG1 ) 5.22 1.04 2.20 volume 1.6088e+05 assign (resid 14 and name HD2#) (resid 17 and name HB# ) 4.53 0.91 1.60 volume 3.7957e+05 assign (resid 14 and name HD##) (resid 15 and name HN ) 3.75 0.75 1.03 volume 9.5095e+03 assign (resid 14 and name HD##) (resid 17 and name HB# ) 4.08 0.82 1.26 volume 7.0338e+05 assign (resid 15 and name HN ) (resid 15 and name HA ) 2.82 0.56 0.56 volume 5.2502e+04 assign (resid 15 and name HN ) (resid 15 and name HB2 ) 2.83 0.57 0.57 volume 5.1204e+04 assign (resid 15 and name HN ) (resid 15 and name HB1 ) 3.06 0.61 0.63 volume 3.1768e+04 assign (resid 15 and name HN ) (resid 15 and name HG2 ) 3.74 0.75 1.02 volume 9.6050e+03 assign (resid 15 and name HN ) (resid 15 and name HG1 ) 3.74 0.75 1.02 volume 9.6050e+03 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.81 0.56 0.56 volume 5.3445e+04 assign (resid 15 and name HA ) (resid 15 and name HB2 ) 3.01 0.60 0.60 volume 4.4112e+06 assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.87 0.57 0.57 volume 5.8366e+06 assign (resid 15 and name HA ) (resid 15 and name HG2 ) 3.47 0.69 0.86 volume 1.8638e+06 assign (resid 15 and name HA ) (resid 15 and name HG1 ) 3.49 0.70 0.87 volume 1.8066e+06 assign (resid 15 and name HA ) (resid 16 and name HN ) 2.95 0.59 0.59 volume 3.9472e+04 assign (resid 15 and name HA ) (resid 18 and name HB# ) 3.69 0.74 0.99 volume 1.8030e+06 assign (resid 15 and name HB2 ) (resid 15 and name HG2 ) 2.49 0.50 0.50 volume 1.3574e+07 assign (resid 15 and name HB2 ) (resid 15 and name HG1 ) 2.76 0.55 0.55 volume 7.3227e+06 assign (resid 15 and name HB2 ) (resid 16 and name HN ) 3.21 0.64 0.71 volume 2.3857e+04 assign (resid 15 and name HB1 ) (resid 15 and name HG2 ) 2.76 0.55 0.55 volume 7.3227e+06 assign (resid 15 and name HB1 ) (resid 15 and name HG1 ) 2.49 0.50 0.50 volume 1.3574e+07 assign (resid 15 and name HB1 ) (resid 16 and name HN ) 3.21 0.64 0.71 volume 2.3857e+04 assign (resid 15 and name HG1 ) (resid 15 and name HE21) 3.25 0.65 0.73 volume 2.2446e+04 assign (resid 15 and name HG1 ) (resid 15 and name HE22) 3.27 0.65 0.74 volume 2.1589e+04 assign (resid 15 and name HE21) (resid 15 and name HE22) 1.91 0.38 0.38 volume 5.3866e+05 assign (resid 16 and name HN ) (resid 16 and name HA ) 2.79 0.56 0.56 volume 5.6003e+04 assign (resid 16 and name HN ) (resid 16 and name HB# ) 2.55 0.51 0.51 volume 1.5482e+05 assign (resid 16 and name HN ) (resid 17 and name HN ) 3.21 0.64 0.71 volume 2.3966e+04 assign (resid 16 and name HA ) (resid 17 and name HN ) 2.75 0.55 0.55 volume 6.0515e+04 assign (resid 16 and name HB# ) (resid 17 and name HN ) 2.89 0.58 0.58 volume 6.9611e+04 assign (resid 17 and name HN ) (resid 17 and name HA ) 3.37 0.67 0.80 volume 1.7969e+04 assign (resid 17 and name HN ) (resid 17 and name HB# ) 2.65 0.53 0.53 volume 7.5766e+04 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.57 0.51 0.51 volume 9.0263e+04 assign (resid 17 and name HA ) (resid 17 and name HB# ) 2.38 0.48 0.48 volume 1.7524e+07 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.18 0.64 0.69 volume 2.5333e+04 assign (resid 18 and name HN ) (resid 18 and name HA ) 2.68 0.54 0.54 volume 7.1191e+04 assign (resid 18 and name HN ) (resid 18 and name HB# ) 2.59 0.52 0.52 volume 1.4038e+05 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.87 0.57 0.57 volume 4.6719e+04 assign (resid 18 and name HA ) (resid 21 and name HD# ) 3.79 0.76 1.06 volume 1.0980e+06 assign (resid 18 and name HB# ) (resid 19 and name HN ) 2.98 0.60 0.60 volume 5.6756e+04 assign (resid 19 and name HN ) (resid 19 and name HA ) 2.71 0.54 0.54 volume 6.6152e+04 assign (resid 19 and name HN ) (resid 19 and name HG2#) 3.13 0.63 0.67 volume 4.1879e+04 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.01 0.60 0.61 volume 3.5289e+04 assign (resid 19 and name HA ) (resid 19 and name HB ) 2.66 0.53 0.53 volume 9.1192e+06 assign (resid 19 and name HA ) (resid 19 and name HG2#) 3.14 0.63 0.67 volume 4.1147e+06 assign (resid 19 and name HA ) (resid 20 and name HN ) 2.75 0.55 0.55 volume 6.1012e+04 assign (resid 19 and name HA ) (resid 22 and name HB ) 3.55 0.71 0.91 volume 1.6357e+06 assign (resid 19 and name HA ) (resid 22 and name HG2#) 4.55 0.91 1.62 volume 4.7948e+05 assign (resid 19 and name HA ) (resid 22 and name HG12) 3.09 0.62 0.65 volume 3.7394e+06 assign (resid 19 and name HA ) (resid 22 and name HG11) 4.56 0.91 1.62 volume 3.6109e+05 assign (resid 19 and name HA ) (resid 22 and name HD1#) 3.92 0.78 1.14 volume 1.2275e+06 assign (resid 19 and name HA ) (resid 24 and name HD# ) 5.41 1.08 2.39 volume 1.2975e+05 assign (resid 19 and name HB ) (resid 19 and name HG2#) 2.74 0.55 0.55 volume 9.5458e+06 assign (resid 19 and name HB ) (resid 22 and name HG2#) 4.61 0.92 1.66 volume 3.8822e+05 assign (resid 19 and name HB ) (resid 22 and name HD1#) 4.63 0.93 1.68 volume 4.2984e+05 assign (resid 19 and name HG2#) (resid 20 and name HN ) 3.82 0.76 1.08 volume 1.1624e+04 assign (resid 19 and name HG2#) (resid 21 and name HN ) 4.45 0.89 1.54 volume 4.4585e+03 assign (resid 20 and name HN ) (resid 20 and name HA ) 2.62 0.52 0.52 volume 8.0762e+04 assign (resid 20 and name HN ) (resid 20 and name HB2 ) 2.62 0.52 0.52 volume 8.2031e+04 assign (resid 20 and name HN ) (resid 20 and name HB1 ) 2.62 0.52 0.52 volume 8.2031e+04 assign (resid 20 and name HN ) (resid 20 and name HG2 ) 3.58 0.72 0.92 volume 1.2463e+04 assign (resid 20 and name HN ) (resid 20 and name HG1 ) 3.58 0.72 0.92 volume 1.2463e+04 assign (resid 20 and name HN ) (resid 21 and name HN ) 2.70 0.54 0.54 volume 6.7389e+04 assign (resid 20 and name HA ) (resid 20 and name HB2 ) 2.78 0.56 0.56 volume 7.0780e+06 assign (resid 20 and name HA ) (resid 20 and name HB1 ) 2.67 0.53 0.53 volume 9.0002e+06 assign (resid 20 and name HA ) (resid 20 and name HG2 ) 3.28 0.66 0.75 volume 2.6365e+06 assign (resid 20 and name HA ) (resid 20 and name HG1 ) 3.34 0.67 0.78 volume 2.3634e+06 assign (resid 20 and name HA ) (resid 21 and name HN ) 2.67 0.53 0.53 volume 7.2886e+04 assign (resid 20 and name HB2 ) (resid 20 and name HG2 ) 2.80 0.56 0.56 volume 6.7762e+06 assign (resid 20 and name HB2 ) (resid 20 and name HG1 ) 2.98 0.60 0.60 volume 4.6756e+06 assign (resid 20 and name HB2 ) (resid 21 and name HN ) 3.11 0.62 0.66 volume 2.8800e+04 assign (resid 20 and name HB2 ) (resid 21 and name HD# ) 4.40 0.88 1.50 volume 4.4721e+05 assign (resid 20 and name HB1 ) (resid 20 and name HG2 ) 2.65 0.53 0.53 volume 9.3956e+06 assign (resid 20 and name HB1 ) (resid 20 and name HG1 ) 2.86 0.57 0.57 volume 5.9690e+06 assign (resid 20 and name HB1 ) (resid 21 and name HN ) 3.11 0.62 0.66 volume 2.8800e+04 assign (resid 20 and name HB1 ) (resid 21 and name HD# ) 3.90 0.78 1.13 volume 9.2372e+05 assign (resid 20 and name HB1 ) (resid 21 and name HE# ) 4.25 0.85 1.38 volume 5.5233e+05 assign (resid 20 and name HG2 ) (resid 21 and name HE# ) 4.69 0.94 1.73 volume 3.0607e+05 assign (resid 21 and name HN ) (resid 21 and name HA ) 3.09 0.62 0.65 volume 3.0181e+04 assign (resid 21 and name HN ) (resid 21 and name HB2 ) 2.66 0.53 0.53 volume 7.4309e+04 assign (resid 21 and name HN ) (resid 21 and name HB1 ) 3.02 0.60 0.61 volume 3.4294e+04 assign (resid 21 and name HN ) (resid 21 and name HD# ) 3.10 0.62 0.65 volume 2.9442e+04 assign (resid 21 and name HN ) (resid 22 and name HN ) 2.63 0.53 0.53 volume 7.9383e+04 assign (resid 21 and name HA ) (resid 21 and name HB2 ) 2.97 0.59 0.59 volume 4.8067e+06 assign (resid 21 and name HA ) (resid 21 and name HB1 ) 2.76 0.55 0.55 volume 7.3367e+06 assign (resid 21 and name HA ) (resid 21 and name HD# ) 3.03 0.61 0.62 volume 4.2183e+06 assign (resid 21 and name HA ) (resid 21 and name HE# ) 3.94 0.79 1.16 volume 8.6420e+05 assign (resid 21 and name HA ) (resid 22 and name HN ) 3.36 0.67 0.79 volume 1.8268e+04 assign (resid 21 and name HA ) (resid 24 and name HB2 ) 3.58 0.72 0.92 volume 1.5426e+06 assign (resid 21 and name HA ) (resid 24 and name HD# ) 3.26 0.65 0.74 volume 2.7119e+06 assign (resid 21 and name HA ) (resid 24 and name HE# ) 4.20 0.84 1.34 volume 5.9464e+05 assign (resid 21 and name HB2 ) (resid 21 and name HB1 ) 2.15 0.43 0.43 volume 3.3045e+07 assign (resid 21 and name HB2 ) (resid 21 and name HD# ) 3.01 0.60 0.61 volume 4.3412e+06 assign (resid 21 and name HB2 ) (resid 21 and name HE# ) 3.95 0.79 1.17 volume 8.5602e+05 assign (resid 21 and name HB2 ) (resid 22 and name HN ) 3.97 0.79 1.18 volume 6.6826e+03 assign (resid 21 and name HB1 ) (resid 21 and name HD# ) 3.12 0.62 0.66 volume 3.5280e+06 assign (resid 21 and name HB1 ) (resid 21 and name HE# ) 4.20 0.84 1.34 volume 5.9677e+05 assign (resid 21 and name HB1 ) (resid 22 and name HG2#) 4.39 0.88 1.49 volume 4.5402e+05 assign (resid 21 and name HB1 ) (resid 24 and name HD# ) 4.07 0.81 1.25 volume 7.1812e+05 assign (resid 21 and name HD# ) (resid 21 and name HE# ) 2.07 0.41 0.41 volume 4.1886e+07 assign (resid 22 and name HN ) (resid 22 and name HA ) 2.57 0.51 0.51 volume 9.1025e+04 assign (resid 22 and name HN ) (resid 22 and name HB ) 2.50 0.50 0.50 volume 1.0678e+05 assign (resid 22 and name HN ) (resid 22 and name HG2#) 3.10 0.62 0.65 volume 4.3769e+04 assign (resid 22 and name HN ) (resid 22 and name HG12) 3.21 0.64 0.71 volume 2.3962e+04 assign (resid 22 and name HN ) (resid 22 and name HG11) 3.26 0.65 0.74 volume 2.2023e+04 assign (resid 22 and name HN ) (resid 23 and name HN ) 3.12 0.62 0.66 volume 2.8202e+04 assign (resid 22 and name HA ) (resid 22 and name HB ) 2.71 0.54 0.54 volume 8.2432e+06 assign (resid 22 and name HA ) (resid 22 and name HG2#) 3.15 0.63 0.68 volume 4.0526e+06 assign (resid 22 and name HA ) (resid 22 and name HG12) 3.51 0.70 0.88 volume 1.7558e+06 assign (resid 22 and name HA ) (resid 22 and name HG11) 3.51 0.70 0.88 volume 1.7429e+06 assign (resid 22 and name HA ) (resid 22 and name HD1#) 3.27 0.65 0.74 volume 3.8846e+06 assign (resid 22 and name HA ) (resid 24 and name HE# ) 5.00 1.00 2.00 volume 2.0752e+05 assign (resid 22 and name HA ) (resid 25 and name HB# ) 3.03 0.61 0.62 volume 6.2923e+06 assign (resid 22 and name HB ) (resid 22 and name HG2#) 2.88 0.58 0.58 volume 8.7015e+06 assign (resid 22 and name HB ) (resid 22 and name HG12) 3.18 0.64 0.70 volume 3.0981e+06 assign (resid 22 and name HB ) (resid 22 and name HG11) 3.05 0.61 0.63 volume 4.0594e+06 assign (resid 22 and name HB ) (resid 22 and name HD1#) 3.27 0.65 0.74 volume 3.8846e+06 assign (resid 22 and name HB ) (resid 23 and name HN ) 3.37 0.67 0.80 volume 1.7875e+04 assign (resid 22 and name HG2#) (resid 22 and name HG12) 3.20 0.64 0.71 volume 3.6441e+06 assign (resid 22 and name HG2#) (resid 22 and name HG11) 3.50 0.70 0.88 volume 2.1046e+06 assign (resid 22 and name HG2#) (resid 23 and name HN ) 3.18 0.64 0.69 volume 3.7636e+04 assign (resid 22 and name HG2#) (resid 26 and name HD1 ) 4.43 0.89 1.52 volume 4.3100e+05 assign (resid 22 and name HG2#) (resid 26 and name HE1 ) 3.46 0.69 0.85 volume 2.1846e+04 assign (resid 22 and name HG12) (resid 22 and name HG11) 2.38 0.48 0.48 volume 1.7808e+07 assign (resid 22 and name HG11) (resid 23 and name HN ) 3.83 0.77 1.08 volume 8.3826e+03 assign (resid 23 and name HN ) (resid 24 and name HN ) 2.94 0.59 0.59 volume 4.0988e+04 assign (resid 23 and name HA1 ) (resid 24 and name HN ) 3.13 0.63 0.67 volume 2.7827e+04 assign (resid 23 and name HA2 ) (resid 24 and name HN ) 3.14 0.63 0.67 volume 2.7338e+04 assign (resid 23 and name HA2 ) (resid 26 and name HB2 ) 3.83 0.77 1.08 volume 1.0358e+06 assign (resid 23 and name HA2 ) (resid 26 and name HB1 ) 3.92 0.78 1.14 volume 8.9615e+05 assign (resid 23 and name HA2 ) (resid 26 and name HD1 ) 3.74 0.75 1.02 volume 1.1890e+06 assign (resid 24 and name HN ) (resid 24 and name HA ) 3.18 0.64 0.69 volume 2.5331e+04 assign (resid 24 and name HN ) (resid 24 and name HB2 ) 2.82 0.56 0.56 volume 5.2746e+04 assign (resid 24 and name HN ) (resid 24 and name HB1 ) 3.12 0.62 0.66 volume 2.8239e+04 assign (resid 24 and name HN ) (resid 24 and name HD# ) 3.23 0.65 0.72 volume 2.3059e+04 assign (resid 24 and name HN ) (resid 25 and name HN ) 2.64 0.53 0.53 volume 7.6804e+04 assign (resid 24 and name HA ) (resid 24 and name HB2 ) 2.86 0.57 0.57 volume 5.9439e+06 assign (resid 24 and name HA ) (resid 24 and name HB1 ) 2.70 0.54 0.54 volume 8.4207e+06 assign (resid 24 and name HA ) (resid 24 and name HD# ) 3.07 0.61 0.63 volume 3.9623e+06 assign (resid 24 and name HA ) (resid 24 and name HE# ) 4.23 0.85 1.36 volume 5.7568e+05 assign (resid 24 and name HA ) (resid 25 and name HN ) 3.70 0.74 1.00 volume 1.0298e+04 assign (resid 24 and name HA ) (resid 27 and name HB# ) 3.10 0.62 0.65 volume 4.4884e+06 assign (resid 24 and name HB2 ) (resid 24 and name HB1 ) 1.98 0.40 0.40 volume 5.3865e+07 assign (resid 24 and name HB2 ) (resid 24 and name HD# ) 3.12 0.62 0.66 volume 3.5170e+06 assign (resid 24 and name HB2 ) (resid 24 and name HE# ) 4.41 0.88 1.50 volume 4.4336e+05 assign (resid 24 and name HB2 ) (resid 25 and name HN ) 3.46 0.69 0.85 volume 1.5277e+04 assign (resid 24 and name HB1 ) (resid 24 and name HD# ) 3.22 0.64 0.71 volume 2.9286e+06 assign (resid 24 and name HB1 ) (resid 25 and name HN ) 3.66 0.73 0.97 volume 1.0863e+04 assign (resid 24 and name HD# ) (resid 24 and name HE# ) 2.06 0.41 0.41 volume 4.2303e+07 assign (resid 24 and name HD# ) (resid 27 and name HB# ) 3.65 0.73 0.97 volume 1.6215e+06 assign (resid 25 and name HN ) (resid 25 and name HB# ) 2.50 0.50 0.50 volume 1.7541e+05 assign (resid 25 and name HB# ) (resid 26 and name HN ) 2.78 0.56 0.56 volume 8.9174e+04 assign (resid 25 and name HB# ) (resid 26 and name HD1 ) 4.68 0.94 1.72 volume 4.0498e+05 assign (resid 26 and name HN ) (resid 26 and name HA ) 2.87 0.57 0.57 volume 4.7276e+04 assign (resid 26 and name HN ) (resid 26 and name HB2 ) 2.71 0.54 0.54 volume 6.6935e+04 assign (resid 26 and name HN ) (resid 26 and name HB1 ) 2.71 0.54 0.54 volume 6.6935e+04 assign (resid 26 and name HN ) (resid 26 and name HD1 ) 3.11 0.62 0.66 volume 2.9259e+04 assign (resid 26 and name HN ) (resid 27 and name HN ) 2.69 0.54 0.54 volume 6.9458e+04 assign (resid 26 and name HA ) (resid 26 and name HB2 ) 2.68 0.54 0.54 volume 8.6945e+06 assign (resid 26 and name HA ) (resid 26 and name HB1 ) 2.68 0.54 0.54 volume 8.8613e+06 assign (resid 26 and name HA ) (resid 26 and name HD1 ) 3.71 0.74 1.01 volume 1.2509e+06 assign (resid 26 and name HA ) (resid 26 and name HE3 ) 2.97 0.59 0.59 volume 4.6756e+06 assign (resid 26 and name HA ) (resid 26 and name HE1 ) 4.24 0.85 1.37 volume 4.4971e+03 assign (resid 26 and name HA ) (resid 27 and name HN ) 3.57 0.71 0.92 volume 1.2706e+04 assign (resid 26 and name HA ) (resid 29 and name HN ) 3.41 0.68 0.82 volume 1.6735e+04 assign (resid 26 and name HA ) (resid 29 and name HB ) 2.92 0.58 0.58 volume 5.2894e+06 assign (resid 26 and name HA ) (resid 29 and name HG1#) 3.63 0.73 0.95 volume 1.6779e+06 assign (resid 26 and name HA ) (resid 29 and name HG2#) 3.17 0.63 0.69 volume 3.8752e+06 assign (resid 26 and name HB2 ) (resid 26 and name HD1 ) 3.21 0.64 0.71 volume 3.0005e+06 assign (resid 26 and name HB2 ) (resid 26 and name HE3 ) 3.02 0.60 0.61 volume 4.2986e+06 assign (resid 26 and name HB2 ) (resid 27 and name HN ) 3.38 0.68 0.80 volume 1.7604e+04 assign (resid 26 and name HB1 ) (resid 26 and name HD1 ) 3.21 0.64 0.71 volume 2.9877e+06 assign (resid 26 and name HB1 ) (resid 27 and name HN ) 3.38 0.68 0.80 volume 1.7604e+04 assign (resid 26 and name HD1 ) (resid 29 and name HG1#) 4.70 0.94 1.74 volume 3.9338e+05 assign (resid 26 and name HE3 ) (resid 26 and name HZ3 ) 2.60 0.52 0.52 volume 1.0519e+07 assign (resid 26 and name HE3 ) (resid 27 and name HA ) 3.80 0.76 1.06 volume 1.0881e+06 assign (resid 26 and name HE3 ) (resid 29 and name HB ) 3.69 0.74 1.00 volume 1.2848e+06 assign (resid 26 and name HZ3 ) (resid 26 and name HZ2 ) 3.73 0.75 1.02 volume 1.2177e+06 assign (resid 26 and name HZ3 ) (resid 26 and name HH2 ) 2.60 0.52 0.52 volume 1.0658e+07 assign (resid 26 and name HZ3 ) (resid 29 and name HG1#) 3.82 0.76 1.08 volume 1.4548e+06 assign (resid 26 and name HZ2 ) (resid 26 and name HH2 ) 2.59 0.52 0.52 volume 1.0731e+07 assign (resid 27 and name HN ) (resid 27 and name HA ) 2.66 0.53 0.53 volume 7.3728e+04 assign (resid 27 and name HN ) (resid 27 and name HB# ) 2.54 0.51 0.51 volume 1.5811e+05 assign (resid 27 and name HN ) (resid 28 and name HN ) 2.72 0.54 0.54 volume 6.5352e+04 assign (resid 27 and name HA ) (resid 27 and name HB# ) 2.63 0.53 0.53 volume 1.2324e+07 assign (resid 27 and name HA ) (resid 28 and name HN ) 3.59 0.72 0.93 volume 1.2255e+04 assign (resid 27 and name HA ) (resid 29 and name HN ) 4.16 0.83 1.31 volume 5.0792e+03 assign (resid 27 and name HA ) (resid 30 and name HN ) 3.22 0.64 0.71 volume 2.3688e+04 assign (resid 27 and name HA ) (resid 30 and name HB ) 2.99 0.60 0.60 volume 4.5973e+06 assign (resid 27 and name HA ) (resid 30 and name HG1#) 3.69 0.74 0.99 volume 1.5127e+06 assign (resid 27 and name HA ) (resid 30 and name HG2#) 3.15 0.63 0.68 volume 4.0096e+06 assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.10 0.62 0.65 volume 4.3714e+04 assign (resid 28 and name HN ) (resid 28 and name HA ) 2.72 0.54 0.54 volume 6.4396e+04 assign (resid 28 and name HN ) (resid 28 and name HB2 ) 2.77 0.55 0.55 volume 5.7519e+04 assign (resid 28 and name HN ) (resid 28 and name HB1 ) 2.77 0.55 0.55 volume 5.7519e+04 assign (resid 28 and name HN ) (resid 28 and name HG2 ) 3.46 0.69 0.85 volume 1.5338e+04 assign (resid 28 and name HN ) (resid 28 and name HG1 ) 3.46 0.69 0.85 volume 1.5338e+04 assign (resid 28 and name HN ) (resid 29 and name HN ) 2.86 0.57 0.57 volume 4.7297e+04 assign (resid 28 and name HA ) (resid 28 and name HB2 ) 2.40 0.48 0.48 volume 1.7216e+07 assign (resid 28 and name HA ) (resid 28 and name HB1 ) 2.40 0.48 0.48 volume 1.7216e+07 assign (resid 28 and name HA ) (resid 28 and name HG2 ) 3.60 0.72 0.93 volume 1.5116e+06 assign (resid 28 and name HA ) (resid 28 and name HG1 ) 4.03 0.81 1.22 volume 7.6274e+05 assign (resid 28 and name HA ) (resid 29 and name HN ) 3.37 0.67 0.80 volume 1.7997e+04 assign (resid 28 and name HA ) (resid 31 and name HN ) 3.17 0.63 0.69 volume 2.6087e+04 assign (resid 28 and name HA ) (resid 31 and name HB ) 2.81 0.56 0.56 volume 6.5998e+06 assign (resid 28 and name HA ) (resid 31 and name HG1#) 3.42 0.68 0.83 volume 2.0528e+06 assign (resid 28 and name HA ) (resid 31 and name HG2#) 3.37 0.67 0.80 volume 2.6670e+06 assign (resid 28 and name HA ) (resid 32 and name HD1#) 4.76 0.95 1.79 volume 2.7893e+05 assign (resid 28 and name HB2 ) (resid 28 and name HG2 ) 3.03 0.61 0.62 volume 4.2017e+06 assign (resid 28 and name HB2 ) (resid 28 and name HG1 ) 3.11 0.62 0.65 volume 3.6110e+06 assign (resid 28 and name HB2 ) (resid 29 and name HN ) 3.07 0.61 0.64 volume 3.1421e+04 assign (resid 28 and name HB2 ) (resid 32 and name HD1#) 3.95 0.79 1.17 volume 9.9690e+05 assign (resid 28 and name HB1 ) (resid 28 and name HG2 ) 2.74 0.55 0.55 volume 7.7839e+06 assign (resid 28 and name HB1 ) (resid 28 and name HG1 ) 3.03 0.61 0.62 volume 4.1737e+06 assign (resid 28 and name HB1 ) (resid 29 and name HN ) 3.07 0.61 0.64 volume 3.1421e+04 assign (resid 28 and name HB1 ) (resid 32 and name HD1#) 4.04 0.81 1.23 volume 7.5387e+05 assign (resid 28 and name HG2 ) (resid 32 and name HD1#) 4.10 0.82 1.27 volume 7.9484e+05 assign (resid 28 and name HG1 ) (resid 32 and name HD1#) 4.07 0.81 1.25 volume 8.3949e+05 assign (resid 28 and name HE# ) (resid 31 and name HG1#) 4.27 0.85 1.40 volume 5.3740e+05 assign (resid 29 and name HN ) (resid 29 and name HA ) 2.82 0.56 0.56 volume 5.1830e+04 assign (resid 29 and name HN ) (resid 29 and name HG1#) 3.00 0.60 0.60 volume 5.4644e+04 assign (resid 29 and name HN ) (resid 29 and name HG2#) 2.69 0.54 0.54 volume 1.0929e+05 assign (resid 29 and name HA ) (resid 29 and name HG1#) 2.74 0.55 0.55 volume 7.7644e+06 assign (resid 29 and name HA ) (resid 32 and name HB ) 2.77 0.55 0.55 volume 7.3110e+06 assign (resid 29 and name HA ) (resid 32 and name HG2#) 3.32 0.66 0.77 volume 2.4532e+06 assign (resid 29 and name HA ) (resid 32 and name HD1#) 3.11 0.62 0.66 volume 4.3949e+06 assign (resid 29 and name HB ) (resid 29 and name HG1#) 2.60 0.52 0.52 volume 1.3417e+07 assign (resid 29 and name HB ) (resid 29 and name HG2#) 2.59 0.52 0.52 volume 1.3928e+07 assign (resid 29 and name HB ) (resid 30 and name HN ) 2.55 0.51 0.51 volume 9.5628e+04 assign (resid 30 and name HN ) (resid 30 and name HA ) 2.80 0.56 0.56 volume 5.4317e+04 assign (resid 30 and name HN ) (resid 30 and name HB ) 2.49 0.50 0.50 volume 1.0929e+05 assign (resid 30 and name HN ) (resid 30 and name HG1#) 2.90 0.58 0.58 volume 6.8306e+04 assign (resid 30 and name HN ) (resid 30 and name HG2#) 2.59 0.52 0.52 volume 1.4167e+05 assign (resid 30 and name HA ) (resid 30 and name HB ) 3.18 0.64 0.69 volume 3.1610e+06 assign (resid 30 and name HA ) (resid 30 and name HG1#) 2.66 0.53 0.53 volume 1.1509e+07 assign (resid 30 and name HA ) (resid 30 and name HG2#) 2.49 0.50 0.50 volume 2.2789e+07 assign (resid 30 and name HA ) (resid 31 and name HN ) 3.15 0.63 0.68 volume 2.6776e+04 assign (resid 30 and name HA ) (resid 33 and name HB ) 2.99 0.60 0.60 volume 4.6312e+06 assign (resid 30 and name HB ) (resid 30 and name HG1#) 2.54 0.51 0.51 volume 1.2128e+07 assign (resid 31 and name HN ) (resid 31 and name HA ) 2.66 0.53 0.53 volume 7.4644e+04 assign (resid 31 and name HN ) (resid 31 and name HB ) 2.33 0.47 0.47 volume 1.6393e+05 assign (resid 31 and name HN ) (resid 31 and name HG1#) 2.94 0.59 0.59 volume 6.1858e+04 assign (resid 31 and name HN ) (resid 32 and name HN ) 2.64 0.53 0.53 volume 7.7179e+04 assign (resid 31 and name HA ) (resid 31 and name HG1#) 2.56 0.51 0.51 volume 1.1495e+07 assign (resid 31 and name HA ) (resid 32 and name HN ) 2.75 0.55 0.55 volume 6.0330e+04 assign (resid 31 and name HB ) (resid 31 and name HG1#) 2.53 0.51 0.51 volume 1.2382e+07 assign (resid 31 and name HB ) (resid 32 and name HN ) 2.73 0.55 0.55 volume 6.4060e+04 assign (resid 31 and name HG1#) (resid 35 and name HB# ) 3.47 0.69 0.86 volume 2.6546e+06 assign (resid 32 and name HN ) (resid 32 and name HA ) 2.68 0.54 0.54 volume 7.1327e+04 assign (resid 32 and name HN ) (resid 32 and name HB ) 2.61 0.52 0.52 volume 8.2268e+04 assign (resid 32 and name HN ) (resid 32 and name HG11) 2.61 0.52 0.52 volume 8.2268e+04 assign (resid 32 and name HN ) (resid 33 and name HN ) 2.86 0.57 0.57 volume 4.8940e+04 assign (resid 32 and name HA ) (resid 32 and name HG2#) 2.87 0.57 0.57 volume 5.8321e+06 assign (resid 32 and name HA ) (resid 32 and name HG12) 2.89 0.58 0.58 volume 5.5648e+06 assign (resid 32 and name HA ) (resid 32 and name HG11) 2.88 0.58 0.58 volume 5.7377e+06 assign (resid 32 and name HA ) (resid 32 and name HD1#) 3.22 0.64 0.71 volume 2.9180e+06 assign (resid 32 and name HA ) (resid 33 and name HN ) 3.23 0.65 0.72 volume 2.3061e+04 assign (resid 32 and name HA ) (resid 35 and name HB# ) 3.20 0.64 0.71 volume 3.6446e+06 assign (resid 32 and name HB ) (resid 32 and name HG2#) 2.64 0.53 0.53 volume 9.6229e+06 assign (resid 32 and name HB ) (resid 32 and name HG12) 2.83 0.57 0.57 volume 6.2879e+06 assign (resid 32 and name HB ) (resid 32 and name HD1#) 2.88 0.58 0.58 volume 5.6648e+06 assign (resid 32 and name HB ) (resid 33 and name HN ) 2.56 0.51 0.51 volume 9.2245e+04 assign (resid 32 and name HG2#) (resid 32 and name HG12) 2.58 0.52 0.52 volume 1.8031e+07 assign (resid 32 and name HG2#) (resid 32 and name HG11) 2.96 0.59 0.59 volume 5.9826e+06 assign (resid 32 and name HG2#) (resid 35 and name HB# ) 3.90 0.78 1.13 volume 1.2792e+06 assign (resid 32 and name HG12) (resid 32 and name HD1#) 2.43 0.49 0.49 volume 2.0272e+07 assign (resid 32 and name HG11) (resid 32 and name HD1#) 2.64 0.53 0.53 volume 1.2029e+07 assign (resid 33 and name HN ) (resid 33 and name HA ) 2.44 0.49 0.49 volume 1.2519e+05 assign (resid 33 and name HN ) (resid 33 and name HB ) 2.46 0.49 0.49 volume 1.1860e+05 assign (resid 33 and name HN ) (resid 33 and name HG1#) 2.81 0.56 0.56 volume 8.2362e+04 assign (resid 33 and name HN ) (resid 33 and name HG2#) 2.53 0.51 0.51 volume 1.6472e+05 assign (resid 33 and name HN ) (resid 34 and name HN ) 2.68 0.54 0.54 volume 7.1524e+04 assign (resid 33 and name HA ) (resid 33 and name HG1#) 2.67 0.53 0.53 volume 9.0900e+06 assign (resid 33 and name HA ) (resid 36 and name HB ) 2.62 0.52 0.52 volume 1.0229e+07 assign (resid 33 and name HA ) (resid 36 and name HG2#) 3.84 0.77 1.09 volume 1.1862e+06 assign (resid 33 and name HB ) (resid 33 and name HG1#) 2.47 0.49 0.49 volume 1.4370e+07 assign (resid 33 and name HB ) (resid 34 and name HN ) 2.92 0.58 0.58 volume 4.2395e+04 assign (resid 33 and name HG1#) (resid 34 and name HN ) 3.03 0.61 0.62 volume 5.0996e+04 assign (resid 33 and name HG2#) (resid 34 and name HN ) 3.34 0.67 0.78 volume 2.7406e+04 assign (resid 34 and name HN ) (resid 34 and name HA# ) 2.19 0.44 0.44 volume 2.3631e+05 assign (resid 34 and name HA# ) (resid 35 and name HN ) 2.48 0.50 0.50 volume 1.1167e+05 assign (resid 34 and name HA# ) (resid 36 and name HN ) 3.02 0.60 0.61 volume 3.4650e+04 assign (resid 34 and name HA# ) (resid 36 and name HG2#) 3.95 0.79 1.17 volume 8.6374e+05 assign (resid 34 and name HA# ) (resid 37 and name HB ) 3.25 0.65 0.73 volume 2.7520e+06 assign (resid 34 and name HA# ) (resid 37 and name HG2#) 3.30 0.66 0.76 volume 3.6406e+06 assign (resid 34 and name HA# ) (resid 37 and name HG12) 3.93 0.79 1.15 volume 8.8463e+05 assign (resid 34 and name HA# ) (resid 37 and name HD1#) 3.27 0.65 0.74 volume 3.8982e+06 assign (resid 35 and name HN ) (resid 35 and name HA ) 2.66 0.53 0.53 volume 7.3899e+04 assign (resid 35 and name HN ) (resid 35 and name HB# ) 2.58 0.52 0.52 volume 1.4541e+05 assign (resid 35 and name HN ) (resid 36 and name HN ) 2.86 0.57 0.57 volume 4.8337e+04 assign (resid 35 and name HA ) (resid 35 and name HB# ) 2.45 0.49 0.49 volume 1.9002e+07 assign (resid 35 and name HA ) (resid 36 and name HN ) 3.12 0.62 0.66 volume 2.8658e+04 assign (resid 35 and name HA ) (resid 38 and name HN ) 3.22 0.64 0.71 volume 2.3695e+04 assign (resid 35 and name HA ) (resid 38 and name HA# ) 3.47 0.69 0.86 volume 1.8413e+06 assign (resid 35 and name HA ) (resid 39 and name HD1#) 4.38 0.88 1.48 volume 6.1343e+05 assign (resid 35 and name HB# ) (resid 36 and name HN ) 2.88 0.58 0.58 volume 7.0551e+04 assign (resid 35 and name HB# ) (resid 36 and name HA ) 4.18 0.84 1.33 volume 7.0874e+05 assign (resid 36 and name HN ) (resid 36 and name HA ) 2.68 0.54 0.54 volume 7.1065e+04 assign (resid 36 and name HN ) (resid 36 and name HB ) 2.76 0.55 0.55 volume 5.8978e+04 assign (resid 36 and name HN ) (resid 36 and name HG2#) 3.25 0.65 0.73 volume 3.2447e+04 assign (resid 36 and name HN ) (resid 37 and name HN ) 2.76 0.55 0.55 volume 6.0545e+04 assign (resid 36 and name HA ) (resid 36 and name HB ) 2.67 0.53 0.53 volume 8.9726e+06 assign (resid 36 and name HA ) (resid 36 and name HG2#) 2.69 0.54 0.54 volume 1.0747e+07 assign (resid 36 and name HA ) (resid 37 and name HN ) 3.78 0.76 1.05 volume 8.9718e+03 assign (resid 36 and name HA ) (resid 39 and name HB ) 2.86 0.57 0.57 volume 5.9284e+06 assign (resid 36 and name HA ) (resid 39 and name HG2#) 3.71 0.74 1.01 volume 1.7431e+06 assign (resid 36 and name HA ) (resid 39 and name HD1#) 3.30 0.66 0.76 volume 3.7071e+06 assign (resid 36 and name HA ) (resid 40 and name HE1 ) 4.01 0.80 1.21 volume 7.7925e+05 assign (resid 36 and name HB ) (resid 36 and name HG2#) 2.45 0.49 0.49 volume 1.9556e+07 assign (resid 36 and name HB ) (resid 37 and name HN ) 3.12 0.62 0.66 volume 2.8547e+04 assign (resid 36 and name HG2#) (resid 40 and name HB2 ) 3.81 0.76 1.07 volume 1.0713e+06 assign (resid 36 and name HG2#) (resid 40 and name HG# ) 3.40 0.68 0.82 volume 2.5035e+06 assign (resid 36 and name HG2#) (resid 40 and name HD# ) 3.47 0.69 0.86 volume 2.2118e+06 assign (resid 36 and name HG2#) (resid 40 and name HE2 ) 3.91 0.78 1.14 volume 9.0802e+05 assign (resid 36 and name HG2#) (resid 40 and name HE1 ) 4.15 0.83 1.31 volume 6.3487e+05 assign (resid 37 and name HN ) (resid 37 and name HA ) 2.56 0.51 0.51 volume 9.2702e+04 assign (resid 37 and name HN ) (resid 37 and name HB ) 2.41 0.48 0.48 volume 1.3564e+05 assign (resid 37 and name HN ) (resid 37 and name HG2#) 3.43 0.69 0.83 volume 2.3253e+04 assign (resid 37 and name HN ) (resid 37 and name HG12) 2.82 0.56 0.56 volume 5.2668e+04 assign (resid 37 and name HN ) (resid 37 and name HG11) 2.41 0.48 0.48 volume 1.3564e+05 assign (resid 37 and name HN ) (resid 37 and name HD1#) 3.43 0.69 0.83 volume 2.3253e+04 assign (resid 37 and name HN ) (resid 38 and name HN ) 2.77 0.55 0.55 volume 5.8277e+04 assign (resid 37 and name HA ) (resid 37 and name HG11) 2.91 0.58 0.58 volume 5.3857e+06 assign (resid 37 and name HA ) (resid 40 and name HN ) 3.07 0.61 0.64 volume 3.1125e+04 assign (resid 37 and name HA ) (resid 40 and name HB2 ) 3.61 0.72 0.94 volume 1.4789e+06 assign (resid 37 and name HA ) (resid 40 and name HB1 ) 2.89 0.58 0.58 volume 5.5051e+06 assign (resid 37 and name HA ) (resid 40 and name HG# ) 3.49 0.70 0.87 volume 1.8053e+06 assign (resid 37 and name HA ) (resid 40 and name HD# ) 3.39 0.68 0.81 volume 2.1361e+06 assign (resid 37 and name HA ) (resid 41 and name HG ) 3.96 0.79 1.17 volume 8.4160e+05 assign (resid 37 and name HB ) (resid 37 and name HG2#) 2.65 0.53 0.53 volume 9.4626e+06 assign (resid 37 and name HB ) (resid 37 and name HG12) 2.40 0.48 0.48 volume 1.7219e+07 assign (resid 37 and name HB ) (resid 37 and name HD1#) 2.82 0.56 0.56 volume 6.4571e+06 assign (resid 37 and name HB ) (resid 38 and name HN ) 2.53 0.51 0.51 volume 9.9400e+04 assign (resid 37 and name HG2#) (resid 37 and name HG12) 2.60 0.52 0.52 volume 1.7101e+07 assign (resid 37 and name HG2#) (resid 37 and name HG11) 2.99 0.60 0.60 volume 5.6583e+06 assign (resid 37 and name HG2#) (resid 38 and name HN ) 3.13 0.63 0.67 volume 4.1160e+04 assign (resid 37 and name HG12) (resid 37 and name HD1#) 2.48 0.50 0.50 volume 1.7862e+07 assign (resid 37 and name HG11) (resid 37 and name HD1#) 2.65 0.53 0.53 volume 1.1925e+07 assign (resid 37 and name HD1#) (resid 40 and name HD# ) 4.60 0.92 1.66 volume 3.4617e+05 assign (resid 37 and name HD1#) (resid 41 and name HG ) 4.25 0.85 1.38 volume 7.3309e+05 assign (resid 38 and name HN ) (resid 38 and name HA# ) 2.13 0.43 0.43 volume 2.8359e+05 assign (resid 38 and name HA# ) (resid 39 and name HN ) 2.91 0.58 0.58 volume 4.3651e+04 assign (resid 38 and name HA# ) (resid 39 and name HG2#) 3.86 0.77 1.10 volume 9.8224e+05 assign (resid 38 and name HA# ) (resid 39 and name HD1#) 3.34 0.67 0.78 volume 2.3541e+06 assign (resid 38 and name HA# ) (resid 41 and name HN ) 3.65 0.73 0.97 volume 1.1127e+04 assign (resid 38 and name HA# ) (resid 41 and name HB2 ) 3.56 0.71 0.91 volume 1.6128e+06 assign (resid 38 and name HA# ) (resid 41 and name HB1 ) 3.25 0.65 0.73 volume 2.7547e+06 assign (resid 38 and name HA# ) (resid 41 and name HG ) 3.51 0.70 0.88 volume 1.7485e+06 assign (resid 38 and name HA# ) (resid 41 and name HD1#) 3.25 0.65 0.73 volume 2.7479e+06 assign (resid 39 and name HN ) (resid 39 and name HA ) 2.77 0.55 0.55 volume 5.8201e+04 assign (resid 39 and name HN ) (resid 39 and name HB ) 2.67 0.53 0.53 volume 7.2751e+04 assign (resid 39 and name HN ) (resid 39 and name HG2#) 3.31 0.66 0.76 volume 2.9101e+04 assign (resid 39 and name HN ) (resid 39 and name HG12) 3.11 0.62 0.66 volume 2.9101e+04 assign (resid 39 and name HN ) (resid 39 and name HG11) 2.67 0.53 0.53 volume 7.2751e+04 assign (resid 39 and name HN ) (resid 39 and name HD1#) 3.31 0.66 0.76 volume 2.9101e+04 assign (resid 39 and name HN ) (resid 40 and name HN ) 2.69 0.54 0.54 volume 6.9263e+04 assign (resid 39 and name HA ) (resid 39 and name HG2#) 2.89 0.58 0.58 volume 8.6860e+06 assign (resid 39 and name HA ) (resid 39 and name HG12) 3.09 0.62 0.65 volume 3.7390e+06 assign (resid 39 and name HA ) (resid 39 and name HG11) 3.22 0.64 0.71 volume 2.9492e+06 assign (resid 39 and name HA ) (resid 39 and name HD1#) 3.25 0.65 0.73 volume 4.0173e+06 assign (resid 39 and name HA ) (resid 40 and name HN ) 3.36 0.67 0.79 volume 1.8132e+04 assign (resid 39 and name HA ) (resid 42 and name HN ) 3.24 0.65 0.73 volume 2.2640e+04 assign (resid 39 and name HA ) (resid 42 and name HB2 ) 3.12 0.62 0.66 volume 3.5299e+06 assign (resid 39 and name HA ) (resid 42 and name HB1 ) 2.79 0.56 0.56 volume 6.9506e+06 assign (resid 39 and name HA ) (resid 42 and name HD# ) 4.47 0.89 1.55 volume 4.1031e+05 assign (resid 39 and name HG2#) (resid 39 and name HG12) 2.52 0.50 0.50 volume 2.1042e+07 assign (resid 39 and name HG2#) (resid 39 and name HG11) 2.47 0.49 0.49 volume 2.3567e+07 assign (resid 39 and name HG2#) (resid 40 and name HA ) 3.61 0.72 0.94 volume 1.7634e+06 assign (resid 39 and name HG2#) (resid 40 and name HG# ) 4.72 0.94 1.76 volume 3.8407e+05 assign (resid 39 and name HG2#) (resid 42 and name HA ) 4.35 0.87 1.46 volume 4.7952e+05 assign (resid 39 and name HG2#) (resid 43 and name HG2 ) 4.48 0.90 1.56 volume 5.2692e+05 assign (resid 39 and name HG2#) (resid 43 and name HG1 ) 3.69 0.74 0.99 volume 1.5244e+06 assign (resid 39 and name HG2#) (resid 43 and name HD# ) 3.52 0.70 0.89 volume 2.4133e+06 assign (resid 39 and name HG2#) (resid 43 and name HE# ) 3.35 0.67 0.79 volume 3.3055e+06 assign (resid 39 and name HG12) (resid 39 and name HD1#) 2.46 0.49 0.49 volume 2.4636e+07 assign (resid 39 and name HG11) (resid 39 and name HD1#) 2.55 0.51 0.51 volume 1.9535e+07 assign (resid 39 and name HD1#) (resid 40 and name HN ) 3.28 0.66 0.75 volume 3.0977e+04 assign (resid 40 and name HN ) (resid 40 and name HA ) 2.68 0.54 0.54 volume 7.1582e+04 assign (resid 40 and name HN ) (resid 40 and name HB2 ) 2.81 0.56 0.56 volume 5.3155e+04 assign (resid 40 and name HN ) (resid 40 and name HB1 ) 2.33 0.47 0.47 volume 1.6428e+05 assign (resid 40 and name HN ) (resid 40 and name HG# ) 3.16 0.63 0.68 volume 2.6577e+04 assign (resid 40 and name HN ) (resid 40 and name HD# ) 3.16 0.63 0.68 volume 2.6577e+04 assign (resid 40 and name HN ) (resid 41 and name HN ) 2.81 0.56 0.56 volume 5.3135e+04 assign (resid 40 and name HA ) (resid 40 and name HB2 ) 2.30 0.46 0.46 volume 2.2090e+07 assign (resid 40 and name HA ) (resid 40 and name HB1 ) 2.89 0.58 0.58 volume 5.5808e+06 assign (resid 40 and name HA ) (resid 40 and name HG# ) 2.71 0.54 0.54 volume 8.1386e+06 assign (resid 40 and name HA ) (resid 40 and name HD# ) 2.89 0.58 0.58 volume 5.5808e+06 assign (resid 40 and name HA ) (resid 40 and name HE2 ) 3.72 0.74 1.01 volume 1.2336e+06 assign (resid 40 and name HA ) (resid 43 and name HN ) 3.61 0.72 0.94 volume 1.1830e+04 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41 and name HN ) (resid 41 and name HA ) 2.79 0.56 0.56 volume 5.6233e+04 assign (resid 41 and name HN ) (resid 41 and name HB2 ) 2.93 0.59 0.59 volume 4.1404e+04 assign (resid 41 and name HN ) (resid 41 and name HB1 ) 2.34 0.47 0.47 volume 1.5924e+05 assign (resid 41 and name HN ) (resid 41 and name HG ) 2.41 0.48 0.48 volume 1.3297e+05 assign (resid 41 and name HN ) (resid 41 and name HD##) 2.85 0.57 0.57 volume 4.9034e+04 assign (resid 41 and name HN ) (resid 42 and name HN ) 3.36 0.67 0.79 volume 1.8247e+04 assign (resid 41 and name HA ) (resid 41 and name HB2 ) 2.62 0.52 0.52 volume 1.0191e+07 assign (resid 41 and name HA ) (resid 41 and name HB1 ) 3.02 0.60 0.61 volume 4.3357e+06 assign (resid 41 and name HA ) (resid 41 and name HG ) 2.97 0.59 0.59 volume 4.7688e+06 assign (resid 41 and name HA ) (resid 41 and name HD1#) 3.53 0.71 0.89 volume 1.6851e+06 assign (resid 41 and name HA ) (resid 41 and name HD2#) 2.58 0.52 0.52 volume 1.0963e+07 assign (resid 41 and name HA ) (resid 44 and name HB2 ) 3.59 0.72 0.93 volume 1.5150e+06 assign (resid 41 and name HA ) (resid 44 and name HB1 ) 3.70 0.74 1.00 volume 1.2625e+06 assign (resid 41 and name HB2 ) (resid 41 and name HG ) 2.72 0.54 0.54 volume 8.0122e+06 assign (resid 41 and name HB2 ) (resid 41 and name HD1#) 2.83 0.57 0.57 volume 6.2905e+06 assign (resid 41 and name HB2 ) (resid 41 and name HD2#) 3.08 0.62 0.64 volume 3.8531e+06 assign (resid 41 and name HB2 ) (resid 41 and name HD##) 2.24 0.45 0.45 volume 2.5962e+07 assign (resid 41 and name HB2 ) (resid 42 and name HN ) 3.02 0.60 0.61 volume 3.4604e+04 assign (resid 41 and name HB2 ) (resid 45 and name HD# ) 3.69 0.74 0.99 volume 1.2901e+06 assign (resid 41 and name HB1 ) (resid 41 and name HG ) 2.65 0.53 0.53 volume 9.2863e+06 assign (resid 41 and name HB1 ) (resid 41 and name HD1#) 2.86 0.57 0.57 volume 5.9858e+06 assign (resid 41 and name HB1 ) (resid 41 and name HD2#) 3.26 0.65 0.74 volume 2.7332e+06 assign (resid 41 and name HB1 ) (resid 41 and name HD##) 2.57 0.51 0.51 volume 1.1286e+07 assign (resid 41 and name HB1 ) (resid 42 and name HN ) 2.87 0.57 0.57 volume 4.6734e+04 assign (resid 41 and name HG ) (resid 41 and name HD1#) 2.61 0.52 0.52 volume 1.0409e+07 assign (resid 41 and name HG ) (resid 41 and name HD2#) 2.66 0.53 0.53 volume 9.1625e+06 assign (resid 41 and name HG ) (resid 41 and name HD##) 2.17 0.43 0.43 volume 3.1193e+07 assign (resid 41 and name HD##) (resid 42 and name HN ) 3.52 0.70 0.89 volume 1.3786e+04 assign (resid 41 and name HD##) (resid 44 and name HB2 ) 3.98 0.80 1.19 volume 8.1747e+05 assign (resid 41 and name HD##) (resid 44 and name HB1 ) 4.54 0.91 1.61 volume 3.7105e+05 assign (resid 42 and name HN ) (resid 42 and name HA ) 2.59 0.52 0.52 volume 8.6594e+04 assign (resid 42 and name HN ) (resid 42 and name HB2 ) 2.71 0.54 0.54 volume 6.6102e+04 assign (resid 42 and name HN ) (resid 42 and name HB1 ) 2.63 0.53 0.53 volume 7.9323e+04 assign (resid 42 and name HN ) (resid 43 and name HN ) 2.91 0.58 0.58 volume 4.2721e+04 assign (resid 42 and name HA ) (resid 42 and name HB1 ) 2.66 0.53 0.53 volume 9.1912e+06 assign (resid 42 and name HA ) (resid 42 and name HD# ) 3.06 0.61 0.63 volume 3.9495e+06 assign (resid 42 and name HA ) (resid 45 and name HN ) 3.40 0.68 0.82 volume 1.6866e+04 assign (resid 42 and name HA ) (resid 45 and name HB2 ) 3.29 0.66 0.75 volume 2.5928e+06 assign (resid 42 and name HB2 ) (resid 42 and name HD# ) 2.82 0.56 0.56 volume 6.4424e+06 assign (resid 42 and name HB2 ) (resid 43 and name HN ) 3.10 0.62 0.65 volume 2.9798e+04 assign (resid 42 and name HB1 ) (resid 42 and name HD# ) 2.85 0.57 0.57 volume 6.1600e+06 assign (resid 42 and name HB1 ) (resid 43 and name HN ) 2.88 0.58 0.58 volume 4.6353e+04 assign (resid 42 and name HD# ) (resid 43 and name HA ) 3.76 0.75 1.04 volume 1.1493e+06 assign (resid 42 and name HD# ) (resid 46 and name HG2#) 3.28 0.66 0.75 volume 3.8376e+06 assign (resid 43 and name HN ) (resid 43 and name HA ) 2.79 0.56 0.56 volume 5.5987e+04 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name HB# ) (resid 43 and name HG2 ) 2.90 0.58 0.58 volume 5.4524e+06 assign (resid 43 and name HB# ) (resid 43 and name HG1 ) 2.19 0.44 0.44 volume 2.9791e+07 assign (resid 43 and name HB# ) (resid 43 and name HD# ) 2.95 0.59 0.59 volume 4.9810e+06 assign (resid 43 and name HB# ) (resid 43 and name HE# ) 4.40 0.88 1.50 volume 5.9624e+05 assign (resid 43 and name HG2 ) (resid 43 and name HD# ) 2.76 0.55 0.55 volume 7.3056e+06 assign (resid 43 and name HG2 ) (resid 43 and name HE# ) 4.26 0.85 1.39 volume 7.3056e+05 assign (resid 43 and name HG1 ) (resid 43 and name HD# ) 2.22 0.44 0.44 volume 2.7346e+07 assign (resid 43 and name HG1 ) (resid 43 and name HE# ) 3.52 0.70 0.89 volume 2.4181e+06 assign (resid 44 and name HN ) (resid 44 and name HA ) 2.65 0.53 0.53 volume 7.5265e+04 assign (resid 44 and name HN ) (resid 44 and name HB2 ) 2.56 0.51 0.51 volume 9.3788e+04 assign (resid 44 and name HN ) (resid 44 and name HB1 ) 2.56 0.51 0.51 volume 9.3788e+04 assign (resid 44 and name HN ) (resid 44 and name HG2 ) 3.71 0.74 1.01 volume 1.0012e+04 assign (resid 44 and name HN ) (resid 45 and name HN ) 2.75 0.55 0.55 volume 6.0856e+04 assign (resid 44 and name HA ) (resid 44 and name HG2 ) 4.14 0.83 1.30 volume 6.3936e+05 assign (resid 44 and name HA ) (resid 44 and name HG1 ) 3.13 0.63 0.67 volume 3.4616e+06 assign (resid 44 and name HA ) (resid 44 and name HD2 ) 3.59 0.72 0.93 volume 1.5100e+06 assign (resid 44 and name HA ) (resid 44 and name HD1 ) 3.72 0.74 1.01 volume 1.2383e+06 assign (resid 44 and name HA ) (resid 45 and name HN ) 3.40 0.68 0.82 volume 1.6866e+04 assign (resid 44 and name HB2 ) (resid 45 and name HN ) 2.99 0.60 0.60 volume 3.6542e+04 assign (resid 44 and name HB2 ) (resid 45 and name HD# ) 4.50 0.90 1.58 volume 3.9465e+05 assign (resid 44 and name HB1 ) (resid 45 and name HN ) 2.99 0.60 0.60 volume 3.6542e+04 assign (resid 44 and name HB1 ) (resid 45 and name HD# ) 4.95 0.99 1.96 volume 2.2111e+05 assign (resid 44 and name HG2 ) (resid 44 and name HD2 ) 3.30 0.66 0.76 volume 2.5282e+06 assign (resid 44 and name HG2 ) (resid 44 and name HD1 ) 3.47 0.69 0.86 volume 1.8811e+06 assign (resid 44 and name HG2 ) (resid 44 and name HE# ) 3.70 0.74 1.00 volume 1.4759e+06 assign (resid 44 and name HG2 ) (resid 45 and name HA ) 5.88 1.18 2.87 volume 7.8969e+04 assign (resid 44 and name HG2 ) (resid 45 and name HD# ) 4.99 1.00 1.99 volume 2.1143e+05 assign (resid 44 and name HG1 ) (resid 44 and name HD2 ) 3.69 0.74 0.99 volume 1.2810e+06 assign (resid 44 and name HG1 ) (resid 44 and name HD1 ) 2.94 0.59 0.59 volume 5.0651e+06 assign (resid 44 and name HG1 ) (resid 44 and name HE# ) 3.99 0.80 1.20 volume 9.3448e+05 assign (resid 44 and name HD2 ) (resid 44 and name HE# ) 3.05 0.61 0.63 volume 4.9460e+06 assign (resid 44 and name HD2 ) (resid 45 and name HD# ) 3.94 0.79 1.16 volume 8.7103e+05 assign (resid 45 and name HN ) (resid 45 and name HA ) 2.90 0.58 0.58 volume 4.4188e+04 assign (resid 45 and name HN ) (resid 45 and name HB2 ) 2.65 0.53 0.53 volume 7.6373e+04 assign (resid 45 and name HN ) (resid 45 and name HB1 ) 2.77 0.55 0.55 volume 5.8271e+04 assign (resid 45 and name HN ) (resid 46 and name HN ) 2.76 0.55 0.55 volume 5.9634e+04 assign (resid 45 and name HA ) (resid 45 and name HB2 ) 2.71 0.54 0.54 volume 8.1455e+06 assign (resid 45 and name HA ) (resid 45 and name HB1 ) 2.77 0.55 0.55 volume 7.1445e+06 assign (resid 45 and name HA ) (resid 45 and name HD# ) 3.51 0.70 0.88 volume 1.7651e+06 assign (resid 45 and name HA ) (resid 46 and name HN ) 3.53 0.71 0.89 volume 1.3570e+04 assign (resid 45 and name HA ) (resid 48 and name HB2 ) 3.63 0.73 0.95 volume 6.1676e+05 assign (resid 45 and name HA ) (resid 48 and name HG# ) 3.15 0.63 0.68 volume 1.4600e+06 assign (resid 45 and name HA ) (resid 48 and name HD# ) 3.86 0.77 1.11 volume 4.2584e+05 assign (resid 45 and name HB2 ) (resid 45 and name HB1 ) 1.96 0.39 0.39 volume 5.7617e+07 assign (resid 45 and name HB2 ) (resid 45 and name HD# ) 3.20 0.64 0.70 volume 3.0424e+06 assign (resid 45 and name HB2 ) (resid 46 and name HN ) 3.54 0.71 0.90 volume 1.3286e+04 assign (resid 45 and name HB2 ) (resid 46 and name HG2#) 3.99 0.80 1.19 volume 9.4685e+05 assign (resid 45 and name HB1 ) (resid 45 and name HD# ) 3.33 0.67 0.78 volume 2.4055e+06 assign (resid 45 and name HB1 ) (resid 46 and name HN ) 3.15 0.63 0.68 volume 2.6711e+04 assign (resid 45 and name HB1 ) (resid 46 and name HA ) 3.68 0.74 0.99 volume 1.3121e+06 assign (resid 45 and name HB1 ) (resid 46 and name HG2#) 3.97 0.79 1.18 volume 9.7661e+05 assign (resid 45 and name HD# ) (resid 46 and name HG2#) 3.64 0.73 0.96 volume 1.9679e+06 assign (resid 45 and name HD# ) (resid 48 and name HD# ) 4.85 0.97 1.86 volume 1.0882e+05 assign (resid 46 and name HN ) (resid 46 and name HA ) 2.87 0.57 0.57 volume 4.7416e+04 assign (resid 46 and name HN ) (resid 46 and name HB ) 2.87 0.57 0.57 volume 4.7416e+04 assign (resid 46 and name HN ) (resid 46 and name HG2#) 3.02 0.60 0.61 volume 5.2253e+04 assign (resid 46 and name HN ) (resid 47 and name HN ) 2.84 0.57 0.57 volume 4.9649e+04 assign (resid 46 and name HA ) (resid 47 and name HN ) 2.90 0.58 0.58 volume 4.3912e+04 assign (resid 46 and name HA ) (resid 47 and name HA ) 4.24 0.85 1.37 volume 5.6063e+05 assign (resid 46 and name HG2#) (resid 47 and name HN ) 4.20 0.84 1.34 volume 6.3740e+03 assign (resid 47 and name HN ) (resid 47 and name HA ) 2.75 0.55 0.55 volume 6.1191e+04 assign (resid 47 and name HN ) (resid 47 and name HB# ) 2.67 0.53 0.53 volume 7.2295e+04 assign (resid 47 and name HN ) (resid 48 and name HN ) 2.87 0.57 0.57 volume 2.0492e+04 assign (resid 47 and name HA ) (resid 48 and name HN ) 3.04 0.61 0.62 volume 1.4417e+04 assign (resid 47 and name HB# ) (resid 48 and name HN ) 3.25 0.65 0.73 volume 9.5897e+03 assign (resid 48 and name HN ) (resid 48 and name HA ) 2.20 0.44 0.44 volume 4.2962e+04 assign (resid 48 and name HN ) (resid 48 and name HB# ) 2.07 0.41 0.41 volume 6.3814e+04 assign (resid 48 and name HN ) (resid 48 and name HG# ) 2.33 0.47 0.47 volume 3.0932e+04 assign (resid 48 and name HN ) (resid 49 and name HN ) 2.93 0.59 0.59 volume 7.8068e+03 assign (resid 48 and name HA ) (resid 48 and name HB2 ) 2.77 0.55 0.55 volume 1.3690e+06 assign (resid 48 and name HA ) (resid 48 and name HB1 ) 2.90 0.58 0.58 volume 1.0296e+06 assign (resid 48 and name HA ) (resid 48 and name HG# ) 3.18 0.64 0.69 volume 5.9446e+05 assign (resid 48 and name HA ) (resid 48 and name HD# ) 3.18 0.64 0.69 volume 5.8858e+05 assign (resid 48 and name HB2 ) (resid 48 and name HG# ) 2.69 0.54 0.54 volume 1.6143e+06 assign (resid 48 and name HB2 ) (resid 49 and name HA ) 3.88 0.78 1.12 volume 1.7982e+05 assign (resid 48 and name HB1 ) (resid 48 and name HG# ) 2.74 0.55 0.55 volume 1.4429e+06 assign (resid 48 and name HB1 ) (resid 49 and name HA ) 3.58 0.72 0.92 volume 2.9199e+05 assign (resid 48 and name HB# ) (resid 49 and name HN ) 2.97 0.59 0.59 volume 7.2334e+03 assign (resid 48 and name HG# ) (resid 48 and name HD# ) 1.79 0.36 0.36 volume 1.8809e+07 assign (resid 48 and name HG# ) (resid 48 and name HE# ) 2.91 0.58 0.58 volume 1.1754e+06 assign (resid 49 and name HN ) (resid 49 and name HA ) 2.14 0.43 0.43 volume 5.1139e+04 assign (resid 49 and name HN ) (resid 49 and name HB# ) 2.69 0.54 0.54 volume 1.8604e+04 assign (resid 49 and name HA ) (resid 49 and name HB# ) 2.62 0.52 0.52 volume 2.2605e+06 assign (resid 50 and name HN ) (resid 50 and name HA ) 2.32 0.46 0.46 volume 3.1590e+04 assign (resid 5 and name HN ) (resid 6 and name HD2 ) 4 0 1000 volume 0 assign (resid 8 and name HN ) (resid 5 and name HB2 ) 4 0 1000 volume 0 assign (resid 8 and name HN ) (resid 6 and name HB1 ) 4 0 1000 volume 0 assign (resid 11 and name HD# ) (resid 14 and name HB1 ) 4 0 1000 volume 0 assign (resid 12 and name HA ) (resid 12 and name HD21) 4 0 1000 volume 0 assign (resid 15 and name HA ) (resid 15 and name HE21) 4 0 1000 volume 0 assign (resid 15 and name HB1 ) (resid 15 and name HE21) 4 0 1000 volume 0 assign (resid 15 and name HB2 ) (resid 15 and name HE21) 4 0 1000 volume 0 assign (resid 20 and name HG1 ) (resid 24 and name HE# ) 4 0 1000 volume 0 assign (resid 23 and name HN ) (resid 24 and name HD# ) 4 0 1000 volume 0 assign (resid 25 and name HA ) (resid 28 and name HG1 ) 4 0 1000 volume 0 assign (resid 29 and name HN ) (resid 28 and name HG1 ) 4 0 1000 volume 0 assign (resid 40 and name HB1 ) (resid 40 and name HE2 ) 4 0 1000 volume 0 assign (resid 41 and name HB1 ) (resid 45 and name HD# ) 4 0 1000 volume 0 assign (resid 42 and name HA ) (resid 45 and name HD# ) 4 0 1000 volume 0 assign (resid 42 and name HB2 ) (resid 43 and name HG1 ) 4 0 1000 volume 0 assign (resid 44 and name HD2 ) (resid 45 and name HA ) 4 0 1000 volume 0 assign (resid 44 and name HG2 ) (resid 48 and name HA ) 4 0 1000 volume 0 assign (resid 45 and name HA ) (resid 48 and name HB1 ) 4 0 1000 volume 0
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