NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type | subtype | subsubtype |
|
|
6852 |
1jns   |
5225 | cing | recoord | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
assign (resid 1 and name HA )(resid 1 and name HB+ ) 2.400 0.620 1.000 assign (resid 1 and name HB+ )(resid 91 and name HD1 ) 2.880 1.000 1.000 assign (resid 2 and name HN )(resid 1 and name HA ) 3.120 1.000 1.000 assign (resid 2 and name HN )(resid 1 and name HB+ ) 3.240 1.000 1.000 assign (resid 2 and name HN )(resid 2 and name HA ) 4.080 1.224 1.224 assign (resid 3 and name HN )(resid 2 and name HA ) 2.520 0.740 1.000 assign (resid 3 and name HN )(resid 2 and name HG1 ) 3.480 1.044 1.044 assign (resid 3 and name HA )(resid 3 and name HB ) 2.880 1.000 1.000 assign (resid 3 and name HA )(resid 3 and name HG2+ ) 2.520 0.740 1.000 assign (resid 3 and name HB )(resid 3 and name HG2+ ) 2.640 0.860 1.000 assign (resid 3 and name HN )(resid 3 and name HA ) 3.240 1.000 1.000 assign (resid 3 and name HN )(resid 3 and name HB ) 3.240 1.000 1.000 assign (resid 3 and name HN )(resid 3 and name HG2+ ) 3.480 1.044 1.044 assign (resid 3 and name HA )(resid 53 and name HA ) 2.640 0.860 1.000 assign (resid 3 and name HA )(resid 53 and name HB1 ) 3.480 1.044 1.044 assign (resid 3 and name HN )(resid 92 and name HA ) 3.840 1.152 1.152 assign (resid 3 and name HN )(resid 92 and name HD22 ) 4.080 1.224 1.224 assign (resid 4 and name HN )(resid 3 and name HA ) 2.520 0.740 1.000 assign (resid 4 and name HN )(resid 3 and name HB ) 3.240 1.000 1.000 assign (resid 4 and name HN )(resid 3 and name HG2+ ) 3.240 1.000 1.000 assign (resid 4 and name HA )(resid 4 and name HB+ ) 2.520 0.740 1.000 assign (resid 4 and name HN )(resid 4 and name HA ) 3.480 1.044 1.044 assign (resid 4 and name HN )(resid 4 and name HB+ ) 2.880 1.000 1.000 assign (resid 4 and name HN )(resid 51 and name HG1 ) 3.720 1.116 1.116 assign (resid 4 and name HN )(resid 51 and name HG2 ) 3.960 1.188 1.188 assign (resid 4 and name HN )(resid 52 and name HA ) 3.600 1.080 1.080 assign (resid 4 and name HN )(resid 52 and name HD+ ) 3.600 1.080 1.080 assign (resid 4 and name HN )(resid 52 and name HE+ ) 3.360 1.008 1.008 assign (resid 4 and name HN )(resid 53 and name HA ) 3.480 1.044 1.044 assign (resid 4 and name HA )(resid 91 and name HA ) 2.520 0.740 1.000 assign (resid 5 and name HN )(resid 4 and name HA ) 2.520 0.740 1.000 assign (resid 5 and name HN )(resid 4 and name HB+ ) 3.000 1.000 1.000 assign (resid 5 and name HA )(resid 5 and name HB+ ) 2.400 0.620 1.000 assign (resid 5 and name HN )(resid 5 and name HA ) 2.880 1.000 1.000 assign (resid 5 and name HN )(resid 5 and name HB+ ) 3.000 1.000 1.000 assign (resid 5 and name HB+ )(resid 51 and name HG1 ) 2.880 1.000 1.000 assign (resid 5 and name HN )(resid 51 and name HG2 ) 3.720 1.116 1.116 assign (resid 5 and name HN )(resid 88 and name HA ) 3.960 1.188 1.188 assign (resid 5 and name HB+ )(resid 89 and name HG ) 2.880 1.000 1.000 assign (resid 5 and name HN )(resid 89 and name HB1 ) 3.840 1.152 1.152 assign (resid 5 and name HN )(resid 89 and name HN ) 3.960 1.188 1.188 assign (resid 5 and name HN )(resid 91 and name HA ) 3.240 1.000 1.000 assign (resid 6 and name HN )(resid 5 and name HA ) 2.520 0.740 1.000 assign (resid 6 and name HN )(resid 5 and name HB+ ) 3.480 1.044 1.044 assign (resid 6 and name HA )(resid 6 and name HB+ ) 2.520 0.740 1.000 assign (resid 6 and name HN )(resid 6 and name HA ) 3.360 1.008 1.008 assign (resid 6 and name HN )(resid 6 and name HB+ ) 2.880 1.000 1.000 assign (resid 6 and name HN )(resid 7 and name HN ) 3.840 1.152 1.152 assign (resid 6 and name HB+ )(resid 49 and name HD1+ ) 2.640 0.860 1.000 assign (resid 6 and name HN )(resid 49 and name HD1+ ) 4.080 1.224 1.224 assign (resid 6 and name HN )(resid 50 and name HN ) 3.840 1.152 1.152 assign (resid 6 and name HN )(resid 51 and name HA ) 3.600 1.080 1.080 assign (resid 6 and name HN )(resid 51 and name HG1 ) 3.720 1.116 1.116 assign (resid 6 and name HB+ )(resid 52 and name HD+ ) 2.760 0.980 1.000 assign (resid 6 and name HB+ )(resid 86 and name HG2+ ) 2.400 0.620 1.000 assign (resid 6 and name HA )(resid 88 and name HA ) 2.880 1.000 1.000 assign (resid 6 and name HA )(resid 89 and name HG ) 3.240 1.000 1.000 assign (resid 6 and name HN )(resid 89 and name HN ) 3.960 1.188 1.188 assign (resid 7 and name HN )(resid 6 and name HA ) 2.400 0.620 1.000 assign (resid 7 and name HN )(resid 6 and name HB+ ) 2.880 1.000 1.000 assign (resid 7 and name HA )(resid 7 and name HB1 ) 3.000 1.000 1.000 assign (resid 7 and name HA )(resid 7 and name HB2 ) 2.880 1.000 1.000 assign (resid 7 and name HA )(resid 7 and name HD2+ ) 2.880 1.000 1.000 assign (resid 7 and name HB1 )(resid 7 and name HB2 ) 2.520 0.740 1.000 assign (resid 7 and name HB2 )(resid 7 and name HD1+ ) 3.000 1.000 1.000 assign (resid 7 and name HN )(resid 7 and name HA ) 3.600 1.080 1.080 assign (resid 7 and name HN )(resid 7 and name HB1 ) 3.360 1.008 1.008 assign (resid 7 and name HN )(resid 7 and name HB2 ) 3.480 1.044 1.044 assign (resid 7 and name HN )(resid 7 and name HD2+ ) 2.520 0.740 1.000 assign (resid 7 and name HN )(resid 7 and name HG ) 3.120 1.000 1.000 assign (resid 7 and name HN )(resid 8 and name HN ) 3.960 1.188 1.188 assign (resid 7 and name HA )(resid 48 and name HA ) 3.000 1.000 1.000 assign (resid 7 and name HB1 )(resid 87 and name HG2 ) 3.000 1.000 1.000 assign (resid 7 and name HN )(resid 87 and name HG2 ) 3.720 1.116 1.116 assign (resid 7 and name HN )(resid 88 and name HA ) 3.720 1.116 1.116 assign (resid 8 and name HN )(resid 7 and name HA ) 2.880 1.000 1.000 assign (resid 8 and name HN )(resid 7 and name HB1 ) 3.720 1.116 1.116 assign (resid 8 and name HA )(resid 8 and name HB1 ) 3.000 1.000 1.000 assign (resid 8 and name HA )(resid 8 and name HB2 ) 3.000 1.000 1.000 assign (resid 8 and name HA )(resid 8 and name HD2 ) 3.000 1.000 1.000 assign (resid 8 and name HB1 )(resid 8 and name HB2 ) 2.520 0.740 1.000 assign (resid 8 and name HN )(resid 8 and name HA ) 3.480 1.044 1.044 assign (resid 8 and name HN )(resid 8 and name HB1 ) 3.840 1.152 1.152 assign (resid 8 and name HN )(resid 8 and name HD2 ) 3.240 1.000 1.000 assign (resid 8 and name HN )(resid 9 and name HG11 ) 3.960 1.188 1.188 assign (resid 8 and name HN )(resid 9 and name HN ) 3.960 1.188 1.188 assign (resid 8 and name HA )(resid 9 and name HG12 ) 3.600 1.080 1.080 assign (resid 8 and name HN )(resid 47 and name HA1 ) 3.360 1.008 1.008 assign (resid 8 and name HN )(resid 47 and name HA2 ) 4.080 1.224 1.224 assign (resid 8 and name HN )(resid 47 and name HA+ ) 3.480 1.044 1.044 assign (resid 8 and name HA )(resid 86 and name HA ) 3.120 1.000 1.000 assign (resid 8 and name HA )(resid 86 and name HG2+ ) 3.720 1.116 1.116 assign (resid 8 and name HB2 )(resid 86 and name HG11 ) 3.480 1.044 1.044 assign (resid 9 and name HN )(resid 8 and name HA ) 2.880 1.000 1.000 assign (resid 9 and name HN )(resid 8 and name HB1 ) 3.600 1.080 1.080 assign (resid 9 and name HN )(resid 8 and name HB2 ) 3.360 1.008 1.008 assign (resid 9 and name HA )(resid 9 and name HD1+ ) 3.000 1.000 1.000 assign (resid 9 and name HA )(resid 9 and name HG12 ) 3.240 1.000 1.000 assign (resid 9 and name HA )(resid 9 and name HG2+ ) 3.000 1.000 1.000 assign (resid 9 and name HB )(resid 9 and name HG2+ ) 2.520 0.740 1.000 assign (resid 9 and name HG11 )(resid 9 and name HG12 ) 2.640 0.860 1.000 assign (resid 9 and name HG12 )(resid 9 and name HD1+ ) 2.520 0.740 1.000 assign (resid 9 and name HG12 )(resid 9 and name HG2+ ) 3.120 1.000 1.000 assign (resid 9 and name HG2+ )(resid 9 and name HD1+ ) 2.520 0.740 1.000 assign (resid 9 and name HN )(resid 9 and name HA ) 3.600 1.080 1.080 assign (resid 9 and name HN )(resid 9 and name HB ) 3.360 1.008 1.008 assign (resid 9 and name HN )(resid 9 and name HD1+ ) 3.360 1.008 1.008 assign (resid 9 and name HN )(resid 9 and name HG11 ) 3.960 1.188 1.188 assign (resid 9 and name HN )(resid 9 and name HG12 ) 3.720 1.116 1.116 assign (resid 9 and name HN )(resid 9 and name HG2+ ) 3.840 1.152 1.152 assign (resid 9 and name HD1+ )(resid 24 and name HD1+ ) 2.520 0.740 1.000 assign (resid 9 and name HN )(resid 84 and name HA ) 3.960 1.188 1.188 assign (resid 9 and name HD1+ )(resid 85 and name HD1+ ) 3.000 1.000 1.000 assign (resid 9 and name HN )(resid 85 and name HB ) 3.720 1.116 1.116 assign (resid 10 and name HN )(resid 9 and name HA ) 2.880 1.000 1.000 assign (resid 10 and name HN )(resid 9 and name HB ) 3.600 1.080 1.080 assign (resid 10 and name HN )(resid 9 and name HG11 ) 3.960 1.188 1.188 assign (resid 10 and name HN )(resid 9 and name HG2+ ) 3.120 1.000 1.000 assign (resid 10 and name HA )(resid 10 and name HB1 ) 3.240 1.000 1.000 assign (resid 10 and name HA )(resid 10 and name HB2 ) 3.120 1.000 1.000 assign (resid 10 and name HA )(resid 10 and name HD1+ ) 3.000 1.000 1.000 assign (resid 10 and name HA )(resid 10 and name HD2+ ) 2.760 0.980 1.000 assign (resid 10 and name HA )(resid 10 and name HG ) 2.760 0.980 1.000 assign (resid 10 and name HB1 )(resid 10 and name HB2 ) 2.520 0.740 1.000 assign (resid 10 and name HB1 )(resid 10 and name HG ) 3.120 1.000 1.000 assign (resid 10 and name HG )(resid 10 and name HD2+ ) 2.400 0.620 1.000 assign (resid 10 and name HN )(resid 10 and name HA ) 3.840 1.152 1.152 assign (resid 10 and name HN )(resid 10 and name HB2 ) 3.240 1.000 1.000 assign (resid 10 and name HN )(resid 10 and name HD2+ ) 4.080 1.224 1.224 assign (resid 10 and name HN )(resid 38 and name HA ) 3.720 1.116 1.116 assign (resid 10 and name HN )(resid 38 and name HB1 ) 3.600 1.080 1.080 assign (resid 10 and name HG )(resid 79 and name HG2+ ) 3.000 1.000 1.000 assign (resid 10 and name HA )(resid 84 and name HA ) 3.120 1.000 1.000 assign (resid 10 and name HN )(resid 84 and name HD2 ) 3.600 1.080 1.080 assign (resid 10 and name HN )(resid 85 and name HN ) 3.960 1.188 1.188 assign (resid 11 and name HG1+ )(resid 9 and name HD1+ ) 3.360 1.008 1.008 assign (resid 11 and name HN )(resid 9 and name HG2+ ) 3.000 1.000 1.000 assign (resid 11 and name HN )(resid 10 and name HA ) 2.640 0.860 1.000 assign (resid 11 and name HN )(resid 10 and name HB2 ) 3.960 1.188 1.188 assign (resid 11 and name HN )(resid 10 and name HD2+ ) 2.760 0.980 1.000 assign (resid 11 and name HN )(resid 10 and name HG ) 3.840 1.152 1.152 assign (resid 11 and name HA )(resid 11 and name HB ) 2.640 0.860 1.000 assign (resid 11 and name HA )(resid 11 and name HG1+ ) 3.120 1.000 1.000 assign (resid 11 and name HA )(resid 11 and name HG2+ ) 2.640 0.860 1.000 assign (resid 11 and name HB )(resid 11 and name HG1+ ) 2.400 0.620 1.000 assign (resid 11 and name HB )(resid 11 and name HG2+ ) 2.400 0.620 1.000 assign (resid 11 and name HN )(resid 11 and name HA ) 2.760 0.980 1.000 assign (resid 11 and name HN )(resid 11 and name HB ) 3.960 1.188 1.188 assign (resid 11 and name HN )(resid 11 and name HG1+ ) 2.640 0.860 1.000 assign (resid 11 and name HN )(resid 11 and name HG2+ ) 3.840 1.152 1.152 assign (resid 11 and name HN )(resid 83 and name HA ) 4.080 1.224 1.224 assign (resid 11 and name HN )(resid 84 and name HA ) 3.840 1.152 1.152 assign (resid 12 and name HN )(resid 11 and name HA ) 2.760 0.980 1.000 assign (resid 12 and name HN )(resid 11 and name HB ) 3.000 1.000 1.000 assign (resid 12 and name HN )(resid 11 and name HG2+ ) 3.840 1.152 1.152 assign (resid 12 and name HN )(resid 12 and name HA ) 3.360 1.008 1.008 assign (resid 12 and name HN )(resid 13 and name HN ) 3.240 1.000 1.000 assign (resid 12 and name HA )(resid 82 and name HA2 ) 3.240 1.000 1.000 assign (resid 13 and name HN )(resid 11 and name HB ) 3.240 1.000 1.000 assign (resid 13 and name HN )(resid 11 and name HG2+ ) 3.120 1.000 1.000 assign (resid 13 and name HA )(resid 13 and name HB1 ) 2.520 0.740 1.000 assign (resid 13 and name HA )(resid 13 and name HG2 ) 3.120 1.000 1.000 assign (resid 13 and name HN )(resid 13 and name HA ) 3.120 1.000 1.000 assign (resid 13 and name HN )(resid 13 and name HB2 ) 3.240 1.000 1.000 assign (resid 14 and name HN )(resid 11 and name HG2+ ) 3.960 1.188 1.188 assign (resid 14 and name HN )(resid 13 and name HA ) 2.400 0.620 1.000 assign (resid 14 and name HN )(resid 13 and name HG2 ) 3.720 1.116 1.116 assign (resid 14 and name HA )(resid 14 and name HB2 ) 2.640 0.860 1.000 assign (resid 14 and name HA )(resid 14 and name HG1 ) 3.000 1.000 1.000 assign (resid 14 and name HA )(resid 14 and name HG2 ) 3.000 1.000 1.000 assign (resid 14 and name HB1 )(resid 14 and name HG1 ) 2.760 0.980 1.000 assign (resid 14 and name HG1 )(resid 14 and name HG2 ) 2.160 0.380 1.000 assign (resid 14 and name HN )(resid 14 and name HA ) 3.120 1.000 1.000 assign (resid 14 and name HN )(resid 14 and name HB1 ) 2.880 1.000 1.000 assign (resid 14 and name HN )(resid 14 and name HB2 ) 2.760 0.980 1.000 assign (resid 14 and name HN )(resid 14 and name HG2 ) 3.360 1.008 1.008 assign (resid 14 and name HN )(resid 15 and name HN ) 3.240 1.000 1.000 assign (resid 14 and name HA )(resid 17 and name HB+ ) 2.760 0.980 1.000 assign (resid 14 and name HA )(resid 83 and name HD+ ) 3.360 1.008 1.008 assign (resid 15 and name HN )(resid 13 and name HA ) 3.960 1.188 1.188 assign (resid 15 and name HN )(resid 13 and name HB1 ) 3.360 1.008 1.008 assign (resid 15 and name HN )(resid 13 and name HB2 ) 3.960 1.188 1.188 assign (resid 15 and name HN )(resid 14 and name HB1 ) 3.000 1.000 1.000 assign (resid 15 and name HA )(resid 15 and name HB2 ) 2.760 0.980 1.000 assign (resid 15 and name HA )(resid 15 and name HG2 ) 2.760 0.980 1.000 assign (resid 15 and name HN )(resid 15 and name HA ) 3.000 1.000 1.000 assign (resid 15 and name HN )(resid 15 and name HB2 ) 2.760 0.980 1.000 assign (resid 15 and name HN )(resid 16 and name HN ) 3.240 1.000 1.000 assign (resid 15 and name HN )(resid 17 and name HN ) 3.960 1.188 1.188 assign (resid 15 and name HA )(resid 18 and name HB1 ) 2.760 0.980 1.000 assign (resid 15 and name HA )(resid 18 and name HB2 ) 3.000 1.000 1.000 assign (resid 16 and name HG )(resid 11 and name HG2+ ) 2.880 1.000 1.000 assign (resid 16 and name HN )(resid 13 and name HA ) 3.840 1.152 1.152 assign (resid 16 and name HN )(resid 13 and name HB1 ) 3.000 1.000 1.000 assign (resid 16 and name HN )(resid 13 and name HG1 ) 3.960 1.188 1.188 assign (resid 16 and name HN )(resid 15 and name HA ) 3.480 1.044 1.044 assign (resid 16 and name HN )(resid 15 and name HB1 ) 2.880 1.000 1.000 assign (resid 16 and name HA )(resid 16 and name HB1 ) 2.880 1.000 1.000 assign (resid 16 and name HA )(resid 16 and name HB2 ) 2.520 0.740 1.000 assign (resid 16 and name HA )(resid 16 and name HD1+ ) 3.120 1.000 1.000 assign (resid 16 and name HB1 )(resid 16 and name HB2 ) 2.280 0.500 1.000 assign (resid 16 and name HN )(resid 16 and name HA ) 3.000 1.000 1.000 assign (resid 16 and name HN )(resid 16 and name HB1 ) 2.760 0.980 1.000 assign (resid 16 and name HN )(resid 16 and name HB2 ) 3.120 1.000 1.000 assign (resid 16 and name HN )(resid 17 and name HN ) 2.880 1.000 1.000 assign (resid 16 and name HN )(resid 18 and name HN ) 3.840 1.152 1.152 assign (resid 16 and name HA )(resid 19 and name HB1 ) 2.760 0.980 1.000 assign (resid 17 and name HA )(resid 11 and name HG1+ ) 2.520 0.740 1.000 assign (resid 17 and name HN )(resid 11 and name HG1+ ) 3.000 1.000 1.000 assign (resid 17 and name HN )(resid 11 and name HG2+ ) 3.000 1.000 1.000 assign (resid 17 and name HN )(resid 14 and name HA ) 3.720 1.116 1.116 assign (resid 17 and name HN )(resid 15 and name HA ) 3.840 1.152 1.152 assign (resid 17 and name HA )(resid 16 and name HD2+ ) 2.760 0.980 1.000 assign (resid 17 and name HN )(resid 16 and name HA ) 3.600 1.080 1.080 assign (resid 17 and name HN )(resid 16 and name HB1 ) 3.120 1.000 1.000 assign (resid 17 and name HA )(resid 17 and name HB+ ) 2.400 0.620 1.000 assign (resid 17 and name HN )(resid 17 and name HA ) 3.120 1.000 1.000 assign (resid 17 and name HN )(resid 17 and name HB+ ) 2.640 0.860 1.000 assign (resid 17 and name HN )(resid 18 and name HN ) 3.120 1.000 1.000 assign (resid 17 and name HN )(resid 19 and name HN ) 4.080 1.224 1.224 assign (resid 17 and name HA )(resid 20 and name HB2 ) 2.760 0.980 1.000 assign (resid 18 and name HN )(resid 15 and name HA ) 3.120 1.000 1.000 assign (resid 18 and name HN )(resid 17 and name HA ) 3.240 1.000 1.000 assign (resid 18 and name HN )(resid 17 and name HB+ ) 2.760 0.980 1.000 assign (resid 18 and name HA )(resid 18 and name HB2 ) 2.520 0.740 1.000 assign (resid 18 and name HA )(resid 18 and name HD2+ ) 2.640 0.860 1.000 assign (resid 18 and name HA )(resid 18 and name HG ) 3.000 1.000 1.000 assign (resid 18 and name HB1 )(resid 18 and name HG ) 3.120 1.000 1.000 assign (resid 18 and name HB2 )(resid 18 and name HG ) 2.160 0.380 1.000 assign (resid 18 and name HN )(resid 18 and name HA ) 2.880 1.000 1.000 assign (resid 18 and name HN )(resid 18 and name HB1 ) 3.240 1.000 1.000 assign (resid 18 and name HN )(resid 18 and name HB2 ) 2.760 0.980 1.000 assign (resid 18 and name HN )(resid 18 and name HD1+ ) 3.720 1.116 1.116 assign (resid 18 and name HN )(resid 18 and name HD2+ ) 3.720 1.116 1.116 assign (resid 18 and name HN )(resid 18 and name HG ) 2.880 1.000 1.000 assign (resid 19 and name HN )(resid 15 and name HA ) 3.240 1.000 1.000 assign (resid 19 and name HN )(resid 18 and name HB1 ) 3.360 1.008 1.008 assign (resid 19 and name HN )(resid 18 and name HB2 ) 3.000 1.000 1.000 assign (resid 19 and name HA )(resid 19 and name HB1 ) 2.520 0.740 1.000 assign (resid 19 and name HA )(resid 19 and name HB2 ) 2.640 0.860 1.000 assign (resid 19 and name HN )(resid 19 and name HA ) 3.000 1.000 1.000 assign (resid 19 and name HN )(resid 19 and name HB1 ) 2.640 0.860 1.000 assign (resid 19 and name HN )(resid 19 and name HB2 ) 2.640 0.860 1.000 assign (resid 19 and name HB1 )(resid 20 and name HB2 ) 3.120 1.000 1.000 assign (resid 19 and name HN )(resid 20 and name HN ) 3.000 1.000 1.000 assign (resid 20 and name HN )(resid 17 and name HA ) 3.720 1.116 1.116 assign (resid 20 and name HN )(resid 19 and name HA ) 3.720 1.116 1.116 assign (resid 20 and name HN )(resid 19 and name HB1 ) 3.000 1.000 1.000 assign (resid 20 and name HN )(resid 19 and name HB2 ) 3.000 1.000 1.000 assign (resid 20 and name HA )(resid 20 and name HB1 ) 3.000 1.000 1.000 assign (resid 20 and name HA )(resid 20 and name HB2 ) 3.120 1.000 1.000 assign (resid 20 and name HA )(resid 20 and name HD1+ ) 2.520 0.740 1.000 assign (resid 20 and name HA )(resid 20 and name HG ) 3.120 1.000 1.000 assign (resid 20 and name HB1 )(resid 20 and name HB2 ) 2.400 0.620 1.000 assign (resid 20 and name HB1 )(resid 20 and name HD1+ ) 2.280 0.500 1.000 assign (resid 20 and name HB1 )(resid 20 and name HG ) 2.280 0.500 1.000 assign (resid 20 and name HB2 )(resid 20 and name HD2+ ) 2.640 0.860 1.000 assign (resid 20 and name HD1+ )(resid 20 and name HD2+ ) 2.640 0.860 1.000 assign (resid 20 and name HG )(resid 20 and name HD1+ ) 2.760 0.980 1.000 assign (resid 20 and name HG )(resid 20 and name HD2+ ) 3.000 1.000 1.000 assign (resid 20 and name HN )(resid 20 and name HA ) 3.360 1.008 1.008 assign (resid 20 and name HN )(resid 20 and name HB1 ) 3.240 1.000 1.000 assign (resid 20 and name HN )(resid 20 and name HB2 ) 2.640 0.860 1.000 assign (resid 20 and name HN )(resid 20 and name HD1+ ) 3.600 1.080 1.080 assign (resid 20 and name HN )(resid 20 and name HD2+ ) 2.880 1.000 1.000 assign (resid 20 and name HN )(resid 20 and name HG ) 3.720 1.116 1.116 assign (resid 20 and name HD1+ )(resid 21 and name HD1+ ) 2.760 0.980 1.000 assign (resid 20 and name HN )(resid 21 and name HD1+ ) 3.000 1.000 1.000 assign (resid 20 and name HN )(resid 21 and name HN ) 3.240 1.000 1.000 assign (resid 20 and name HA )(resid 23 and name HG1 ) 3.120 1.000 1.000 assign (resid 21 and name HN )(resid 17 and name HA ) 3.840 1.152 1.152 assign (resid 21 and name HA )(resid 20 and name HD2+ ) 3.360 1.008 1.008 assign (resid 21 and name HN )(resid 20 and name HA ) 3.120 1.000 1.000 assign (resid 21 and name HA )(resid 21 and name HD1+ ) 2.640 0.860 1.000 assign (resid 21 and name HB1 )(resid 21 and name HG ) 2.640 0.860 1.000 assign (resid 21 and name HN )(resid 21 and name HA ) 3.120 1.000 1.000 assign (resid 21 and name HN )(resid 21 and name HB1 ) 3.000 1.000 1.000 assign (resid 21 and name HN )(resid 21 and name HD1+ ) 3.840 1.152 1.152 assign (resid 21 and name HN )(resid 21 and name HG ) 3.120 1.000 1.000 assign (resid 21 and name HN )(resid 22 and name HN ) 3.240 1.000 1.000 assign (resid 21 and name HA )(resid 24 and name HB ) 3.000 1.000 1.000 assign (resid 21 and name HA )(resid 24 and name HD1+ ) 3.120 1.000 1.000 assign (resid 21 and name HN )(resid 76 and name HG1 ) 3.720 1.116 1.116 assign (resid 21 and name HN )(resid 85 and name HD1+ ) 3.720 1.116 1.116 assign (resid 22 and name HN )(resid 18 and name HA ) 3.000 1.000 1.000 assign (resid 22 and name HN )(resid 19 and name HA ) 3.240 1.000 1.000 assign (resid 22 and name HN )(resid 20 and name HG ) 3.840 1.152 1.152 assign (resid 22 and name HN )(resid 21 and name HB1 ) 3.360 1.008 1.008 assign (resid 22 and name HN )(resid 21 and name HB2 ) 3.120 1.000 1.000 assign (resid 22 and name HN )(resid 22 and name HA ) 3.000 1.000 1.000 assign (resid 22 and name HN )(resid 23 and name HN ) 3.000 1.000 1.000 assign (resid 22 and name HN )(resid 24 and name HN ) 3.720 1.116 1.116 assign (resid 23 and name HN )(resid 19 and name HA ) 3.840 1.152 1.152 assign (resid 23 and name HN )(resid 20 and name HA ) 3.120 1.000 1.000 assign (resid 23 and name HA )(resid 23 and name HB1 ) 3.000 1.000 1.000 assign (resid 23 and name HN )(resid 23 and name HA ) 2.640 0.860 1.000 assign (resid 23 and name HN )(resid 23 and name HB1 ) 2.760 0.980 1.000 assign (resid 23 and name HN )(resid 24 and name HD1+ ) 3.840 1.152 1.152 assign (resid 23 and name HN )(resid 24 and name HN ) 3.120 1.000 1.000 assign (resid 23 and name HN )(resid 25 and name HN ) 3.600 1.080 1.080 assign (resid 23 and name HA )(resid 26 and name HB1 ) 3.240 1.000 1.000 assign (resid 23 and name HA )(resid 26 and name HB2 ) 3.480 1.044 1.044 assign (resid 24 and name HN )(resid 20 and name HA ) 3.840 1.152 1.152 assign (resid 24 and name HN )(resid 21 and name HA ) 3.360 1.008 1.008 assign (resid 24 and name HN )(resid 23 and name HA ) 2.880 1.000 1.000 assign (resid 24 and name HN )(resid 23 and name HB1 ) 3.360 1.008 1.008 assign (resid 24 and name HN )(resid 23 and name HG2 ) 3.720 1.116 1.116 assign (resid 24 and name HA )(resid 24 and name HB ) 2.880 1.000 1.000 assign (resid 24 and name HA )(resid 24 and name HD1+ ) 2.880 1.000 1.000 assign (resid 24 and name HA )(resid 24 and name HG11 ) 3.000 1.000 1.000 assign (resid 24 and name HA )(resid 24 and name HG2+ ) 2.640 0.860 1.000 assign (resid 24 and name HB )(resid 24 and name HD1+ ) 3.000 1.000 1.000 assign (resid 24 and name HB )(resid 24 and name HG2+ ) 2.880 1.000 1.000 assign (resid 24 and name HG12 )(resid 24 and name HG2+ ) 2.640 0.860 1.000 assign (resid 24 and name HG2+ )(resid 24 and name HD1+ ) 2.520 0.740 1.000 assign (resid 24 and name HN )(resid 24 and name HA ) 3.000 1.000 1.000 assign (resid 24 and name HN )(resid 24 and name HB ) 2.760 0.980 1.000 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name HN )(resid 27 and name HA1 ) 2.880 1.000 1.000 assign (resid 27 and name HN )(resid 27 and name HA2 ) 2.880 1.000 1.000 assign (resid 27 and name HN )(resid 28 and name HA ) 4.080 1.224 1.224 assign (resid 27 and name HN )(resid 28 and name HN ) 2.880 1.000 1.000 assign (resid 28 and name HB+ )(resid 24 and name HG2+ ) 2.640 0.860 1.000 assign (resid 28 and name HN )(resid 24 and name HA ) 2.880 1.000 1.000 assign (resid 28 and name HN )(resid 24 and name HA ) 2.880 1.000 1.000 assign (resid 28 and name HN )(resid 24 and name HB ) 3.720 1.116 1.116 assign (resid 28 and name HN )(resid 25 and name HA ) 3.720 1.116 1.116 assign (resid 28 and name HN )(resid 27 and name HA1 ) 3.480 1.044 1.044 assign (resid 28 and name HN )(resid 27 and name HA2 ) 3.240 1.000 1.000 assign (resid 28 and name HA )(resid 28 and name HB+ ) 2.400 0.620 1.000 assign (resid 28 and name HN )(resid 28 and name HA ) 2.640 0.860 1.000 assign (resid 28 and name HN )(resid 28 and name HB+ ) 2.400 0.620 1.000 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and name HB1 ) 3.120 1.000 1.000 assign (resid 36 and name HA )(resid 36 and name HB2 ) 2.640 0.860 1.000 assign (resid 36 and name HA )(resid 36 and name HG2 ) 2.880 1.000 1.000 assign (resid 36 and name HB1 )(resid 36 and name HG1 ) 2.760 0.980 1.000 assign (resid 36 and name HB1 )(resid 36 and name HG2 ) 3.000 1.000 1.000 assign (resid 36 and name HB2 )(resid 36 and name HG1 ) 3.120 1.000 1.000 assign (resid 36 and name HB2 )(resid 36 and name HG2 ) 2.880 1.000 1.000 assign (resid 36 and name HG1 )(resid 36 and name HG2 ) 2.520 0.740 1.000 assign (resid 36 and name HN )(resid 36 and name HA ) 2.880 1.000 1.000 assign (resid 36 and name HN )(resid 36 and name HB1 ) 2.640 0.860 1.000 assign (resid 36 and name HN )(resid 36 and name HB2 ) 2.640 0.860 1.000 assign (resid 36 and name HN )(resid 36 and name HG1 ) 4.080 1.224 1.224 assign (resid 36 and name HN )(resid 37 and name HN ) 3.120 1.000 1.000 assign (resid 36 and name HN )(resid 38 and name HN ) 3.600 1.080 1.080 assign (resid 37 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3.240 1.000 1.000 assign (resid 79 and name HA )(resid 79 and name HB ) 3.480 1.044 1.044 assign (resid 79 and name HA )(resid 79 and name HG2+ ) 2.760 0.980 1.000 assign (resid 79 and name HB )(resid 79 and name HG2+ ) 2.400 0.620 1.000 assign (resid 79 and name HN )(resid 79 and name HA ) 3.360 1.008 1.008 assign (resid 79 and name HN )(resid 79 and name HB ) 3.960 1.188 1.188 assign (resid 79 and name HN )(resid 79 and name HG2+ ) 3.360 1.008 1.008 assign (resid 79 and name HN )(resid 80 and name HN ) 3.480 1.044 1.044 assign (resid 79 and name HG2+ )(resid 81 and name HD+ ) 2.880 1.000 1.000 assign (resid 79 and name HN )(resid 82 and name HN ) 3.360 1.008 1.008 assign (resid 79 and name HN )(resid 83 and name HA ) 3.120 1.000 1.000 assign (resid 79 and name HG2+ )(resid 84 and name HD2 ) 3.120 1.000 1.000 assign (resid 80 and name HN )(resid 79 and name HA ) 2.760 0.980 1.000 assign (resid 80 and name HN )(resid 79 and name HB ) 3.480 1.044 1.044 assign (resid 80 and name HN 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3.000 1.000 1.000 assign (resid 82 and name HN )(resid 83 and name HN ) 3.840 1.152 1.152 assign (resid 83 and name HN )(resid 10 and name HD2+ ) 3.240 1.000 1.000 assign (resid 83 and name HN )(resid 10 and name HG ) 3.960 1.188 1.188 assign (resid 83 and name HB1 )(resid 11 and name HG1+ ) 3.000 1.000 1.000 assign (resid 83 and name HB2 )(resid 11 and name HG1+ ) 3.120 1.000 1.000 assign (resid 83 and name HN )(resid 11 and name HB ) 3.840 1.152 1.152 assign (resid 83 and name HN )(resid 12 and name HA ) 3.840 1.152 1.152 assign (resid 83 and name HB1 )(resid 17 and name HB+ ) 3.120 1.000 1.000 assign (resid 83 and name HB2 )(resid 17 and name HB+ ) 3.000 1.000 1.000 assign (resid 83 and name HN )(resid 82 and name HA1 ) 2.880 1.000 1.000 assign (resid 83 and name HN )(resid 82 and name HA2 ) 3.240 1.000 1.000 assign (resid 83 and name HA )(resid 83 and name HB1 ) 3.240 1.000 1.000 assign (resid 83 and name HA )(resid 83 and name HB2 ) 3.000 1.000 1.000 assign (resid 83 and name HA 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HB1 ) 3.360 1.008 1.008 assign (resid 85 and name HN )(resid 84 and name HA ) 3.000 1.000 1.000 assign (resid 85 and name HN )(resid 84 and name HB1 ) 3.840 1.152 1.152 assign (resid 85 and name HA )(resid 85 and name HB ) 3.480 1.044 1.044 assign (resid 85 and name HA )(resid 85 and name HD1+ ) 3.120 1.000 1.000 assign (resid 85 and name HA )(resid 85 and name HG2+ ) 2.760 0.980 1.000 assign (resid 85 and name HB )(resid 85 and name HD1+ ) 3.120 1.000 1.000 assign (resid 85 and name HB )(resid 85 and name HG2+ ) 2.520 0.740 1.000 assign (resid 85 and name HG2+ )(resid 85 and name HD1+ ) 3.000 1.000 1.000 assign (resid 85 and name HN )(resid 85 and name HA ) 3.720 1.116 1.116 assign (resid 85 and name HN )(resid 85 and name HB ) 3.360 1.008 1.008 assign (resid 85 and name HN )(resid 85 and name HD1+ ) 3.840 1.152 1.152 assign (resid 86 and name HA )(resid 8 and name HB2 ) 3.480 1.044 1.044 assign (resid 86 and name HG2+ )(resid 8 and name HD2 ) 3.600 1.080 1.080 assign (resid 86 and 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name HN )(resid 88 and name HB ) 3.960 1.188 1.188 assign (resid 89 and name HN )(resid 88 and name HG1+ ) 3.120 1.000 1.000 assign (resid 89 and name HN )(resid 88 and name HG2+ ) 3.600 1.080 1.080 assign (resid 89 and name HA )(resid 89 and name HB1 ) 3.120 1.000 1.000 assign (resid 89 and name HA )(resid 89 and name HB2 ) 3.000 1.000 1.000 assign (resid 89 and name HA )(resid 89 and name HD2+ ) 2.520 0.740 1.000 assign (resid 89 and name HA )(resid 89 and name HG ) 3.360 1.008 1.008 assign (resid 89 and name HB2 )(resid 89 and name HG ) 3.000 1.000 1.000 assign (resid 89 and name HN )(resid 89 and name HA ) 3.600 1.080 1.080 assign (resid 89 and name HN )(resid 89 and name HB1 ) 3.120 1.000 1.000 assign (resid 89 and name HN )(resid 89 and name HB2 ) 3.120 1.000 1.000 assign (resid 89 and name HN )(resid 89 and name HD2+ ) 3.480 1.044 1.044 assign (resid 89 and name HN )(resid 89 and name HG ) 3.120 1.000 1.000 assign (resid 89 and name HN )(resid 90 and name HN ) 3.000 1.000 1.000 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