NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
9523 |
1o5p   |
5969 | cing | 1-original | 1 | XPLOR/CNS | distance | general distance | simple |
assign (resid 2 and name HN ) (resid 2 and name HB# ) 2.64 0.95 0.5 ! 124000 1 0.5 1.5 3 15N assign (resid 4 and name HN ) (resid 4 and name HG2# ) 3.53 0.89 0.5 ! 19900 1 0.5 1.5 3 15N assign (resid 4 and name HN ) (resid 4 and name HB ) 3.47 0.75 0.5 ! 4850 0.5 1 1 15N assign (resid 5 and name HN ) (resid 5 and name HB# ) 2.94 0.93 0.5 ! 61700 1 0.5 1.5 3 15N assign (resid 6 and name HN ) (resid 6 and name HG2# ) 3.21 0.91 0.5 ! 35700 1 0.5 1.5 3 15N assign (resid 6 and name HN ) (resid 6 and name HB ) 3.5 0.75 0.5 ! 4660 0.5 1 1 15N assign (resid 7 and name HN ) (resid 7 and name HG* ) 3.25 1.29 0.5 ! 33100 1.8 0.5 1.5 3 15N assign (resid 7 and name HN ) (resid 7 and name HB ) 2.82 0.75 0.5 ! 17700 0.5 1 1 15N assign (resid 8 and name HN ) (resid 8 and name HB ) 3.31 0.75 0.5 ! 6580 0.5 1 1 15N assign (resid 8 and name HN ) (resid 8 and name HG2# ) 3.9 0.88 0.5 ! 10900 1 0.5 1.5 3 15N assign (resid 10 and name HN ) (resid 10 and name HB# ) 3.86 0.86 0.5 ! 2600 0.9 0.5 0.5 2 15N assign (resid 11 and name HN ) (resid 11 and name HB# ) 2.93 0.89 0.5 ! 14100 0.9 0.5 0.5 2 15N assign (resid 13 and name HN ) (resid 13 and name HD2# ) 3.48 0.9 0.6 ! 21500 1 0.5 1.5 3 15N assign (resid 13 and name HN ) (resid 13 and name HG ) 2.8 0.75 0.5 ! 18800 0.5 1 1 15N assign (resid 13 and name HN ) (resid 13 and name HB# ) 2.87 0.89 0.5 ! 16000 0.9 0.5 0.5 2 15N assign (resid 13 and name HN ) (resid 13 and name HD1# ) 3.6 0.89 0.6 ! 17600 1 0.5 1.5 3 15N assign (resid 14 and name HN ) (resid 14 and name HB# ) 2.54 0.91 0.5 ! 35400 0.9 0.5 0.5 2 15N assign (resid 15 and name HN ) (resid 15 and name HB# ) 2.61 0.91 0.5 ! 29600 0.9 0.5 0.5 2 15N assign (resid 17 and name HN ) (resid 17 and name HG2# ) 3.13 0.91 0.5 ! 41900 1 0.5 1.5 3 15N assign (resid 17 and name HN ) (resid 17 and name HB ) 2.63 0.75 0.5 ! 28400 0.5 1 1 15N assign (resid 18 and name HN ) (resid 18 and name HB ) 2.5 0.75 0.5 ! 39400 0.5 1 1 15N assign (resid 18 and name HN ) (resid 18 and name HG2# ) 2.99 0.92 0.5 ! 55100 1 0.5 1.5 3 15N assign (resid 19 and name HN ) (resid 19 and name HB ) 3.67 0.75 0.5 ! 3470 0.5 1 1 15N assign (resid 19 and name HN ) (resid 19 and name HG* ) 3.01 1.35 0.5 ! 53400 1.8 0.5 1.5 3 15N assign (resid 21 and name HN ) (resid 21 and name HG* ) 3.15 1.31 0.5 ! 40000 1.8 0.5 1.5 3 15N assign (resid 21 and name HN ) (resid 21 and name HB ) 2.71 0.75 0.5 ! 23100 0.5 1 1 15N assign (resid 22 and name HN ) (resid 22 and name HB# ) 3.17 0.91 0.5 ! 38500 1 0.5 1.5 3 15N assign (resid 24 and name HN ) (resid 24 and name HB# ) 3.09 0.92 0.5 ! 44800 1 0.5 1.5 3 15N assign (resid 26 and name HN ) (resid 26 and name HD2# ) 3.47 0.9 0.5 ! 22000 1 0.5 1.5 3 15N assign (resid 26 and name HN ) (resid 26 and name HG ) 2.53 0.75 0.5 ! 36800 0.5 1 1 15N assign (resid 26 and name HN ) (resid 26 and name HD1# ) 3.45 0.9 0.5 ! 22800 1 0.5 1.5 3 15N assign (resid 26 and name HN ) (resid 26 and name HB# ) 2.49 0.92 0.5 ! 40100 0.9 0.5 0.5 2 15N assign (resid 27 and name HN ) (resid 27 and name HB# ) 3 0.89 0.6 ! 24000 0.9 0.5 1 2 15N assign (resid 27 and name HN ) (resid 27 and name HE2# ) 3.58 0.86 0.5 ! 8110 0.9 0.5 1 2 15N assign (resid 27 and name HN ) (resid 27 and name HG# ) 3.23 0.88 0.6 ! 15200 0.9 0.5 1 2 15N assign (resid 28 and name HN ) (resid 28 and name HB# ) 2.62 0.95 0.5 ! 129000 1 0.5 1.5 3 15N assign (resid 30 and name HN ) (resid 30 and name HG2# ) 3.51 0.9 0.5 ! 20600 1 0.5 1.5 3 15N assign (resid 31 and name HN ) (resid 31 and name HB# ) 2.66 0.95 0.5 ! 119000 1 0.5 1.5 3 15N assign (resid 32 and name HN ) (resid 32 and name CG ) 3.96 1.35 2.1 ! 8910 2.1 2 2 15N assign (resid 32 and name HN ) (resid 32 and name HB# ) 2.91 0.89 0.5 ! 14600 0.9 0.5 0.5 2 15N assign (resid 33 and name HN ) (resid 33 and name HB1 ) 2.99 1 0.6 ! 12400 0.5 1 1 15N assign (resid 33 and name HN ) (resid 33 and name HB2 ) 2.9 1 0.6 ! 14800 0.5 1 1 15N assign (resid 34 and name HN ) (resid 34 and name HG* ) 3.36 1.27 0.5 ! 27000 1.8 0.5 1.5 3 15N assign (resid 34 and name HN ) (resid 34 and name HB ) 3.01 0.75 0.5 ! 11800 0.5 1 1 15N assign (resid 36 and name HE21 ) (resid 36 and name HG# ) 3.24 0.88 0.5 ! 7430 0.9 0.5 0.5 2 15N assign (resid 36 and name HN ) (resid 36 and name HB2 ) 2.9 1 0.5 ! 7530 0.5 0.5 1 15N assign (resid 36 and name HN ) (resid 36 and name HB1 ) 3.18 1 0.5 ! 4160 0.5 0.5 1 15N assign (resid 36 and name HE22 ) (resid 36 and name HG# ) 3.28 0.88 0.5 ! 6900 0.9 0.5 0.5 2 15N assign (resid 36 and name HN ) (resid 36 and name HG# ) 3.48 0.87 0.5 ! 4810 0.9 0.5 0.5 2 15N assign (resid 37 and name HN ) (resid 37 and name HB1 ) 3.12 1 0.6 ! 9410 0.5 1 1 15N assign (resid 37 and name HN ) (resid 37 and name HB2 ) 2.92 1 0.6 ! 14400 0.5 1 1 15N assign (resid 38 and name HN ) (resid 38 and name HB# ) 3.51 0.9 0.5 ! 20600 1 0.5 1.5 3 15N assign (resid 39 and name HN ) (resid 39 and name HB# ) 2.82 0.9 0.5 ! 17700 0.9 0.5 0.5 2 15N assign (resid 39 and name HN ) (resid 39 and name HE3 ) 2.91 0.75 0.5 ! 14500 0.5 1 1 15N assign (resid 40 and name HN ) (resid 40 and name HB ) 3.19 0.75 0.5 ! 8260 0.5 1 1 15N assign (resid 40 and name HN ) (resid 40 and name HG1# ) 3.75 0.89 0.5 ! 13900 1 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 40 and name HG2# ) 3.32 0.9 0.5 ! 29000 1 0.5 1.5 3 15N assign (resid 41 and name HN ) (resid 41 and name HB# ) 2.93 0.89 0.5 ! 14100 0.9 0.5 0.5 2 15N assign (resid 42 and name HN ) (resid 42 and name HG2# ) 3.72 0.89 0.5 ! 14400 1 0.5 1.5 3 15N assign (resid 44 and name HN ) (resid 44 and name HB ) 2.8 0.75 0.5 ! 18700 0.5 1 1 15N assign (resid 44 and name HN ) (resid 44 and name HG2# ) 3.29 0.91 0.5 ! 30500 1 0.5 1.5 3 15N assign (resid 44 and name HN ) (resid 44 and name HG1# ) 3.87 0.88 0.5 ! 11400 1 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 45 and name HD2# ) 5.26 0.85 0.5 ! 2020 1 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 45 and name HD1# ) 5.33 0.84 0.5 ! 1890 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 46 and name HB# ) 3.4 0.9 0.5 ! 24700 1 0.5 1.5 3 15N assign (resid 47 and name HN ) (resid 47 and name HB2 ) 3.44 1 0.6 ! 5170 0.5 1 1 15N assign (resid 47 and name HN ) (resid 47 and name HB1 ) 3.58 1 0.6 ! 4050 0.5 1 1 15N assign (resid 48 and name HN ) (resid 48 and name HB# ) 3.6 0.86 0.5 ! 3910 0.9 0.5 0.5 2 15N assign (resid 50 and name HN ) (resid 50 and name HB# ) 2.81 0.93 0.5 ! 82900 1 0.5 1.5 3 15N assign (resid 51 and name HN ) (resid 51 and name HB1 ) 3.12 1 0.6 ! 9470 0.5 1 1 15N assign (resid 51 and name HN ) (resid 51 and name HB2 ) 3.05 1 0.6 ! 10900 0.5 1 1 15N assign (resid 52 and name HN ) (resid 52 and name HB# ) 2.61 0.91 0.5 ! 29700 0.9 0.5 0.5 2 15N assign (resid 53 and name HN ) (resid 53 and name HB# ) 2.87 0.89 0.5 ! 15800 0.9 0.5 0.5 2 15N assign (resid 54 and name HN ) (resid 54 and name HB# ) 2.5 0.92 0.6 ! 39300 0.9 0.5 0.5 2 15N assign (resid 55 and name HN ) (resid 55 and name HG* ) 3.04 1.34 0.5 ! 49700 1.8 0.5 1.5 3 15N assign (resid 55 and name HN ) (resid 55 and name HB ) 3.42 0.75 0.5 ! 5330 0.5 1 1 15N assign (resid 56 and name HN ) (resid 56 and name HG2# ) 3.77 0.89 0.5 ! 13500 1 0.5 1.5 3 15N assign (resid 56 and name HN ) (resid 56 and name HB ) 3.05 0.75 0.5 ! 10800 0.5 1 1 15N assign (resid 58 and name HN ) (resid 58 and name HB# ) 3.16 0.88 0.5 ! 8730 0.9 0.5 0.5 2 15N assign (resid 59 and name HN ) (resid 59 and name HB# ) 2.66 0.95 0.5 ! 118000 1 0.5 1.5 3 15N assign (resid 60 and name HN ) (resid 60 and name HB# ) 2.62 0.91 0.5 ! 28800 0.9 0.5 0.5 2 15N assign (resid 62 and name HN ) (resid 62 and name HB# ) 2.61 0.91 0.5 ! 29500 0.9 0.5 0.5 2 15N assign (resid 63 and name HN ) (resid 63 and name HB# ) 3.23 0.91 0.5 ! 33900 1 0.5 1.5 3 15N assign (resid 64 and name HN ) (resid 64 and name HB# ) 2.87 0.89 0.5 ! 16100 0.9 0.5 0.5 2 15N assign (resid 65 and name HN ) (resid 65 and name HB ) 3.96 0.75 0.5 ! 2220 0.5 1 1 15N assign (resid 65 and name HN ) (resid 65 and name HG2# ) 3.57 0.89 0.5 ! 18700 1 0.5 1.5 3 15N assign (resid 66 and name HN ) (resid 66 and name HB# ) 2.81 0.9 0.5 ! 18400 0.9 0.5 0.5 2 15N assign (resid 67 and name HN ) (resid 67 and name HB# ) 3.17 0.88 0.5 ! 8530 0.9 0.5 0.5 2 15N assign (resid 67 and name HN ) (resid 67 and name HD* ) 3.18 1.31 0.5 ! 37900 1.8 0.5 1.5 3 15N assign (resid 68 and name HN ) (resid 68 and name HG2# ) 3.63 0.89 0.5 ! 16900 1 0.5 1.5 3 15N assign (resid 68 and name HN ) (resid 68 and name HB ) 3.24 0.75 0.5 ! 7380 0.5 1 1 15N assign (resid 69 and name HN ) (resid 69 and name HG1# ) 3.28 0.91 0.5 ! 31100 1 0.5 1.5 3 15N assign (resid 69 and name HN ) (resid 69 and name HB ) 3.57 0.75 0.5 ! 4150 0.5 1 1 15N assign (resid 69 and name HN ) (resid 69 and name HG2# ) 3.12 0.91 0.5 ! 42300 1 0.5 1.5 3 15N assign (resid 70 and name HN ) (resid 70 and name HB# ) 3.53 0.87 0.5 ! 4430 0.9 0.5 0.5 2 15N assign (resid 70 and name HN ) (resid 70 and name HD# ) 4.06 0.85 0.5 ! 1930 0.9 0.5 0.5 2 15N assign (resid 71 and name HN ) (resid 71 and name HG# ) 3.08 0.88 0.5 ! 10200 0.9 0.5 0.5 2 15N assign (resid 71 and name HN ) (resid 71 and name HB# ) 3 0.89 0.5 ! 12100 0.9 0.5 0.5 2 15N assign (resid 72 and name HN ) (resid 72 and name HB1 ) 2.94 1 0.6 ! 13700 0.5 1 1 15N assign (resid 72 and name HN ) (resid 72 and name HB2 ) 2.94 1 0.6 ! 13700 0.5 1 1 15N assign (resid 73 and name HN ) (resid 73 and name HB# ) 3.69 0.86 0.5 ! 3380 0.9 0.5 0.5 2 15N assign (resid 73 and name HN ) (resid 73 and name CG ) 4.1 1.33 2.1 ! 7240 2.1 2 2 15N assign (resid 74 and name HN ) (resid 74 and name HB# ) 2.54 0.91 0.5 ! 35200 0.9 0.5 0.5 2 15N assign (resid 76 and name HN ) (resid 76 and name HB2 ) 3.73 1 0.6 ! 3150 0.5 1 1 15N assign (resid 76 and name HN ) (resid 76 and name HB1 ) 3.71 1 0.6 ! 3260 0.5 1 1 15N assign (resid 77 and name HN ) (resid 77 and name HB# ) 3.18 0.88 0.5 ! 8290 0.9 0.5 0.5 2 15N assign (resid 78 and name HN ) (resid 78 and name HB# ) 3.2 0.88 0.5 ! 7980 0.9 0.5 0.5 2 15N assign (resid 79 and name HN ) (resid 79 and name HB2 ) 3.15 1 0.6 ! 8830 0.5 1 1 15N assign (resid 79 and name HN ) (resid 79 and name HB1 ) 3.02 1 0.6 ! 11600 0.5 1 1 15N assign (resid 81 and name HN ) (resid 81 and name HG2# ) 3.66 0.89 0.5 ! 16100 1 0.5 1.5 3 15N assign (resid 82 and name HN ) (resid 82 and name HB# ) 2.64 0.91 0.5 ! 27600 0.9 0.5 0.5 2 15N assign (resid 82 and name HN ) (resid 82 and name HD# ) 3.25 0.88 0.5 ! 7270 0.9 0.5 0.5 2 15N assign (resid 82 and name HN ) (resid 82 and name HG# ) 3.19 0.88 0.5 ! 8210 0.9 0.5 0.5 2 15N assign (resid 83 and name HN ) (resid 83 and name HB# ) 2.98 0.89 0.5 ! 12600 0.9 0.5 0.5 2 15N assign (resid 83 and name HN ) (resid 83 and name HE3 ) 4.52 0.75 0.5 ! 1040 0.5 1 1 15N assign (resid 85 and name HN ) (resid 85 and name HG2# ) 3.55 0.89 0.5 ! 19300 1 0.5 1.5 3 15N assign (resid 86 and name HN ) (resid 86 and name HG2# ) 3.31 0.9 0.5 ! 29600 1 0.5 1.5 3 15N assign (resid 86 and name HN ) (resid 86 and name HG1# ) 3.6 0.89 0.5 ! 17700 1 0.5 1.5 3 15N assign (resid 87 and name HN ) (resid 87 and name HB2 ) 2.77 1 0.6 ! 20200 0.5 1 1 15N assign (resid 87 and name HN ) (resid 87 and name HB1 ) 2.87 1 0.6 ! 15800 0.5 1 1 15N assign (resid 88 and name HN ) (resid 88 and name HB2 ) 3.41 1 0.6 ! 5470 0.5 1 1 15N assign (resid 88 and name HN ) (resid 88 and name HB1 ) 4.06 1 0.6 ! 1930 0.5 1 1 15N assign (resid 89 and name HN ) (resid 89 and name HB ) 3.75 0.75 0.5 ! 3070 0.5 1 1 15N assign (resid 89 and name HN ) (resid 89 and name HG2# ) 3.48 0.9 0.5 ! 21500 1 0.5 1.5 3 15N assign (resid 90 and name HN ) (resid 90 and name HG2# ) 3.27 0.91 0.5 ! 31800 1 0.5 1.5 3 15N assign (resid 92 and name HN ) (resid 92 and name HB# ) 2.91 0.93 0.5 ! 66000 1 0.5 1.5 3 15N assign (resid 93 and name HN ) (resid 93 and name HB1 ) 3.31 1 0.6 ! 6520 0.5 1 1 15N assign (resid 93 and name HN ) (resid 93 and name HB2 ) 3.01 1 0.6 ! 11700 0.5 1 1 15N assign (resid 94 and name HN ) (resid 94 and name HB# ) 3.1 0.88 0.5 ! 9790 0.9 0.5 0.5 2 15N assign (resid 94 and name HN ) (resid 94 and name HG1 ) 2.9 0.75 0.5 ! 7440 0.5 0.5 1 15N assign (resid 94 and name HE21 ) (resid 94 and name HG2 ) 3.3 1 0.6 ! 6690 0.5 1 1 15N assign (resid 94 and name HN ) (resid 94 and name HG# ) 3.3 0.88 0.5 ! 6680 0.9 0.5 0.5 2 15N assign (resid 94 and name HE21 ) (resid 94 and name HG1 ) 3.15 1 0.6 ! 8800 0.5 1 1 15N assign (resid 94 and name HE22 ) (resid 94 and name HG2 ) 3.16 1 0.6 ! 8710 0.5 1 1 15N assign (resid 94 and name HE22 ) (resid 94 and name HG1 ) 3.02 1 0.6 ! 11600 0.5 1 1 15N assign (resid 95 and name HN ) (resid 95 and name HG* ) 3.16 1.31 0.5 ! 39000 1.8 0.5 1.5 3 15N assign (resid 95 and name HN ) (resid 95 and name HB ) 2.68 0.75 0.5 ! 25000 0.5 1 1 15N assign (resid 97 and name HN ) (resid 97 and name HD2# ) 4.1 0.87 0.5 ! 8220 1 0.5 1.5 3 15N assign (resid 97 and name HN ) (resid 97 and name HB# ) 2.97 0.75 0.5 ! 12900 0.5 0.5 2 15N assign (resid 97 and name HN ) (resid 97 and name HB2 ) 2.86 0.75 0.5 ! 8160 0.5 0.5 1 15N assign (resid 97 and name HN ) (resid 97 and name HD1# ) 3.84 0.88 0.5 ! 12000 1 0.5 1.5 3 15N assign (resid 98 and name HN ) (resid 98 and name HB# ) 3.42 0.87 0.5 ! 5350 0.9 0.5 0.5 2 15N assign (resid 99 and name HN ) (resid 99 and name HB1 ) 3.54 1 0.6 ! 4310 0.5 1 1 15N assign (resid 99 and name HN ) (resid 99 and name HB2 ) 3.35 1 0.6 ! 6090 0.5 1 1 15N assign (resid 100 and name HN ) (resid 100 and name HB# ) 2.9 0.93 0.5 ! 66600 1 0.5 1.5 3 15N assign (resid 101 and name HN ) (resid 101 and name HB# ) 2.65 0.95 0.5 ! 121000 1 0.5 1.5 3 15N assign (resid 103 and name HD21 ) (resid 103 and name HB1 ) 2.97 1 0.6 ! 12900 0.5 1 1 15N assign (resid 103 and name HD21 ) (resid 103 and name HB2 ) 2.82 1 0.6 ! 18000 0.5 1 1 15N assign (resid 103 and name HN ) (resid 103 and name HB2 ) 2.76 1 0.6 ! 20600 0.5 1 1 15N assign (resid 103 and name HN ) (resid 103 and name HD21 ) 3.34 0.75 0.5 ! 6170 0.5 1 1 15N assign (resid 103 and name HN ) (resid 103 and name HB1 ) 2.93 1 0.6 ! 13900 0.5 1 1 15N assign (resid 106 and name HN ) (resid 106 and name HG# ) 2.23 0.94 0.5 ! 85900 0.9 0.5 0.5 2 15N assign (resid 108 and name HN ) (resid 108 and name HG1# ) 3.24 0.91 0.5 ! 33800 1 0.5 1.5 3 15N assign (resid 108 and name HN ) (resid 108 and name HG2# ) 3.42 0.9 0.5 ! 24200 1 0.5 1.5 3 15N assign (resid 108 and name HN ) (resid 108 and name HB ) 2.73 0.75 0.5 ! 22000 0.5 1 1 15N assign (resid 109 and name HN ) (resid 109 and name HB# ) 2.83 0.93 0.5 ! 79400 1 0.5 1.5 3 15N assign (resid 110 and name HN ) (resid 110 and name HG11 ) 2.58 0.75 0.5 ! 32200 0.5 1 1 15N assign (resid 110 and name HN ) (resid 110 and name HD# ) 3.32 0.9 0.6 ! 28700 1 0.5 1.5 3 15N assign (resid 111 and name HN ) (resid 111 and name HB# ) 3.01 0.89 0.5 ! 11900 0.9 0.5 0.5 2 15N assign (resid 112 and name HN ) (resid 112 and name HB2 ) 3.26 1 0.6 ! 7180 0.5 1 1 15N assign (resid 112 and name HN ) (resid 112 and name HB1 ) 3.09 1 0.6 ! 9950 0.5 1 1 15N assign (resid 112 and name HN ) (resid 112 and name CG ) 3.64 1.42 2.1 ! 14700 2.1 2 2 15N assign (resid 113 and name HN ) (resid 113 and name HB1 ) 2.44 0.75 0.5 ! 23500 0.5 0.5 1 15N assign (resid 113 and name HD22 ) (resid 113 and name HB1 ) 3.06 1 0.5 ! 10600 0.5 1 1 15N assign (resid 113 and name HD21 ) (resid 113 and name HB2 ) 3.01 1 0.5 ! 11700 0.5 1 1 15N assign (resid 113 and name HN ) (resid 113 and name HD22 ) 3.4 0.75 0.5 ! 5560 0.5 1 1 15N assign (resid 2 and name HN ) (resid 1 and name HB# ) 3.64 0.89 0.5 ! 58300 1 0.5 1.5 3 15N assign (resid 2 and name HN ) (resid 1 and name HA ) 2.04 0.75 0.5 ! 111000 0.5 0.2 1 15N assign (resid 2 and name HN ) (resid 3 and name HD# ) 4.67 0.84 0.5 ! 6170 0.9 0.5 1 2 15N assign (resid 4 and name HN ) (resid 3 and name HB2 ) 3.73 0.75 0.5 ! 5560 0.5 0.5 1 15N assign (resid 4 and name HN ) (resid 3 and name HG# ) 4.57 0.84 0.5 ! 6930 0.9 0.5 1 2 15N assign (resid 4 and name HN ) (resid 3 and name HA ) 2.53 0.75 0.5 ! 25110 0.5 0.2 1 15N assign (resid 4 and name HN ) (resid 3 and name HB1 ) 3.63 0.75 0.5 ! 6600 0.5 0.5 1 15N assign (resid 4 and name HN ) (resid 5 and name HN ) 4.5 0.9 0.6 ! 4000 0.6 1 1 15N assign (resid 5 and name HN ) (resid 4 and name HA ) 2.43 0.75 0.5 ! 33000 0.5 0.2 1 15N assign (resid 5 and name HN ) (resid 4 and name HB ) 3.38 0.75 0.5 ! 20000 0.5 1 1 15N assign (resid 5 and name HN ) (resid 4 and name HG2# ) 3.6 0.89 0.5 ! 61700 1 0.5 1.5 3 15N assign (resid 5 and name HN ) (resid 6 and name HN ) 3.6 0.9 0.6 ! 11600 0.6 1 1 15N assign (resid 6 and name HN ) (resid 5 and name HA ) 2.44 0.75 0.5 ! 32500 0.5 0.2 1 15N assign (resid 6 and name HN ) (resid 7 and name HN ) 4.11 0.9 0.6 ! 6120 0.6 1 1 15N assign (resid 6 and name HN ) (resid 7 and name HG* ) 5.3 1.07 0.5 ! 6900 1.8 0.5 1.5 3 15N assign (resid 7 and name HN ) (resid 6 and name HB ) 3.71 0.75 0.5 ! 11600 0.5 1 1 15N assign (resid 7 and name HN ) (resid 6 and name HG2# ) 4.06 0.88 0.5 ! 30800 1 0.5 1.5 3 15N assign (resid 7 and name HN ) (resid 6 and name HA ) 2.49 0.75 0.5 ! 28000 0.5 0.2 1 15N assign (resid 8 and name HN ) (resid 7 and name HB ) 3.89 0.75 0.5 ! 8670 0.5 1 1 15N assign (resid 8 and name HN ) (resid 7 and name HG* ) 4.02 1.18 0.5 ! 32300 1.8 0.5 1.5 3 15N assign (resid 10 and name HN ) (resid 9 and name HB1 ) 3.82 0.75 0.5 ! 4870 0.5 0.5 1 15N assign (resid 10 and name HN ) (resid 9 and name HB2 ) 3.85 0.75 0.5 ! 4610 0.5 0.5 1 15N assign (resid 10 and name HN ) (resid 9 and name HA ) 2.65 0.75 0.5 ! 9260 0.5 0.1 1 15N assign (resid 10 and name HN ) (resid 9 and name HD# ) 4.78 0.84 0.4 ! 5410 0.9 0.5 1 2 15N assign (resid 10 and name HN ) (resid 11 and name HN ) 2.84 0.9 0.6 ! 38400 0.6 1 1 15N assign (resid 11 and name HN ) (resid 10 and name HA ) 4.46 0.75 0.5 ! 800 0.5 0.2 1 15N assign (resid 12 and name HN ) (resid 11 and name HB# ) 2.93 0.89 0.5 ! 49200 0.9 0.5 0.5 2 15N assign (resid 12 and name HN ) (resid 11 and name HA ) 2.79 0.75 0.5 ! 13300 0.5 0.2 1 15N assign (resid 12 and name HN ) (resid 11 and name HN ) 4.39 0.9 0.6 ! 4450 0.6 1 1 15N assign (resid 12 and name HN ) (resid 13 and name HD1# ) 5.82 0.84 0.5 ! 4210 1 0.5 1.5 3 15N assign (resid 12 and name HN ) (resid 13 and name HD2# ) 5.66 0.84 0.5 ! 4860 1 0.5 1.5 3 15N assign (resid 12 and name HN ) (resid 13 and name HB# ) 4.31 0.85 0.5 ! 4850 0.9 0.5 0.5 2 15N assign (resid 12 and name HN ) (resid 13 and name HG ) 4.24 0.75 0.5 ! 5340 0.5 1 1 15N assign (resid 12 and name HN ) (resid 13 and name HN ) 3.37 0.9 0.6 ! 16100 0.6 1 1 15N assign (resid 13 and name HN ) (resid 12 and name HA1 ) 3.37 0.75 0.5 ! 10200 0.5 0.5 1 15N assign (resid 13 and name HN ) (resid 12 and name HA2 ) 3.24 0.75 0.5 ! 13100 0.5 0.5 1 15N assign (resid 14 and name HN ) (resid 13 and name HD2# ) 4.41 0.86 0.5 ! 19200 1 0.5 1.5 3 15N assign (resid 14 and name HN ) (resid 13 and name HB# ) 3.48 0.87 0.5 ! 16800 0.9 0.5 0.5 2 15N assign (resid 14 and name HN ) (resid 13 and name HA ) 2.55 0.75 0.5 ! 24200 0.5 0.2 1 15N assign (resid 14 and name HN ) (resid 13 and name HG ) 3.58 0.75 0.5 ! 14200 0.5 1 1 15N assign (resid 14 and name HN ) (resid 13 and name HD1# ) 4.72 0.86 0.5 ! 13000 1 0.5 1.5 3 15N assign (resid 15 and name HN ) (resid 14 and name HB# ) 3.37 0.87 0.5 ! 20300 0.9 0.5 0.5 2 15N assign (resid 15 and name HN ) (resid 14 and name HA ) 2.73 0.75 0.5 ! 15200 0.5 0.2 1 15N assign (resid 15 and name HN ) (resid 14 and name HN ) 4.15 0.9 0.6 ! 5830 0.6 1 1 15N assign (resid 15 and name HN ) (resid 16 and name HN ) 4.17 0.9 0.6 ! 5710 0.6 1 1 15N assign (resid 16 and name HN ) (resid 15 and name HA ) 2.87 0.75 0.5 ! 11100 0.5 0.2 1 15N assign (resid 16 and name HN ) (resid 15 and name HB1 ) 4.21 0.75 0.5 ! 2770 0.5 0.5 1 15N assign (resid 16 and name HN ) (resid 15 and name HB2 ) 4.26 0.75 0.5 ! 2590 0.5 0.5 1 15N assign (resid 17 and name HN ) (resid 16 and name HA2 ) 3.7 0.75 0.5 ! 5870 0.5 0.5 1 15N assign (resid 17 and name HN ) (resid 16 and name HA1 ) 3.58 0.75 0.5 ! 7100 0.5 0.5 1 15N assign (resid 17 and name HN ) (resid 16 and name HN ) 3.1 0.9 0.6 ! 24600 0.6 1 1 15N assign (resid 17 and name HN ) (resid 18 and name HN ) 3.52 0.9 0.6 ! 12900 0.6 1 1 15N assign (resid 18 and name HN ) (resid 17 and name HB ) 2.9 0.75 0.5 ! 51900 0.5 1 1 15N assign (resid 18 and name HN ) (resid 17 and name HA ) 2.29 0.75 0.5 ! 49100 0.5 0.2 1 15N assign (resid 18 and name HN ) (resid 17 and name HG2# ) 3.67 0.89 0.5 ! 55100 1 0.5 1.5 3 15N assign (resid 18 and name HN ) (resid 19 and name HN ) 5.26 0.9 0.6 ! 1960 0.6 1 1 15N assign (resid 19 and name HN ) (resid 18 and name HB ) 4.59 0.75 0.5 ! 3380 0.5 1 1 15N assign (resid 19 and name HN ) (resid 18 and name HN ) 5.33 0.9 0.6 ! 1850 0.6 1 1 15N assign (resid 20 and name HN ) (resid 19 and name HN ) 4.91 0.9 0.6 ! 2670 0.6 1 1 15N assign (resid 20 and name HN ) (resid 19 and name HG* ) 3.84 1.2 0.5 ! 42200 1.8 0.5 1.5 3 15N assign (resid 20 and name HN ) (resid 21 and name HN ) 3.75 0.9 0.6 ! 9450 0.6 1 1 15N assign (resid 21 and name HN ) (resid 20 and name HB# ) 4.19 0.85 0.5 ! 5680 0.9 0.5 0.5 2 15N assign (resid 21 and name HN ) (resid 20 and name HG# ) 3.74 0.86 0.5 ! 11000 0.9 0.5 0.5 2 15N assign (resid 22 and name HN ) (resid 21 and name HG* ) 4.28 1.15 0.5 ! 22700 1.8 0.5 1.5 3 15N assign (resid 23 and name HN ) (resid 22 and name HB# ) 3.93 0.88 0.5 ! 36900 1 0.5 1.5 3 15N assign (resid 23 and name HN ) (resid 22 and name HA ) 2.35 0.75 0.5 ! 41200 0.5 0.2 1 15N assign (resid 24 and name HN ) (resid 23 and name HA2 ) 2.99 0.75 0.5 ! 21500 0.5 0.5 1 15N assign (resid 24 and name HN ) (resid 23 and name HA1 ) 3.09 0.75 0.5 ! 17500 0.5 0.5 1 15N assign (resid 25 and name HN ) (resid 24 and name HB# ) 3.9 0.88 0.5 ! 38400 1 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 24 and name HA ) 2.64 0.75 0.5 ! 18840 0.5 0.2 1 15N assign (resid 25 and name HN ) (resid 26 and name HD2# ) 5.77 0.84 0.5 ! 4400 1 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 26 and name HD1# ) 5.72 0.84 0.5 ! 4610 1 0.5 1.5 3 15N assign (resid 26 and name HN ) (resid 25 and name HA2 ) 3.19 0.75 0.5 ! 14200 0.5 0.5 1 15N assign (resid 26 and name HN ) (resid 25 and name HA1 ) 3.36 0.75 0.5 ! 10500 0.5 0.5 1 15N assign (resid 26 and name HN ) (resid 27 and name HN ) 3.97 0.9 0.6 ! 7140 0.6 1 1 15N assign (resid 27 and name HN ) (resid 26 and name HB# ) 3.35 0.87 0.5 ! 21200 0.9 0.5 0.5 2 15N assign (resid 27 and name HN ) (resid 26 and name HA ) 2.86 0.75 0.5 ! 11300 0.5 0.2 1 15N assign (resid 27 and name HN ) (resid 26 and name HD* ) 4.73 1.11 0.5 ! 12900 1.8 0.5 1.5 3 15N assign (resid 27 and name HN ) (resid 28 and name HN ) 3.75 0.9 0.6 ! 9480 0.6 1 1 15N assign (resid 28 and name HN ) (resid 27 and name HN ) 3.73 0.9 0.6 ! 9740 0.6 1 1 15N assign (resid 28 and name HN ) (resid 27 and name HA ) 2.1 0.75 0.5 ! 91900 0.5 0.2 1 15N assign (resid 28 and name HN ) (resid 27 and name HB# ) 3.82 0.86 0.5 ! 19400 0.9 0.5 1 2 15N assign (resid 28 and name HN ) (resid 27 and name HG# ) 3.76 0.86 0.5 ! 21400 0.9 0.5 1 2 15N assign (resid 28 and name HN ) (resid 27 and name HE2# ) 4.38 0.84 0.5 ! 4440 0.9 0.5 1 1 15N assign (resid 29 and name HN ) (resid 28 and name HA ) 2.27 0.75 0.5 ! 52900 0.5 0.2 1 15N assign (resid 29 and name HN ) (resid 28 and name HN ) 3.42 0.9 0.6 ! 14800 0.6 1 1 15N assign (resid 30 and name HN ) (resid 29 and name HA2 ) 2.99 0.75 0.5 ! 21300 0.5 0.5 1 15N assign (resid 30 and name HN ) (resid 29 and name HA1 ) 3.75 0.75 0.5 ! 5380 0.5 0.5 1 15N assign (resid 31 and name HN ) (resid 30 and name HN ) 3.21 0.9 0.6 ! 20400 0.6 1 1 15N assign (resid 31 and name HN ) (resid 30 and name HA ) 2.18 0.75 0.5 ! 69700 0.5 0.2 1 15N assign (resid 31 and name HN ) (resid 32 and name HN ) 3.94 0.9 0.6 ! 7440 0.6 1 1 15N assign (resid 32 and name HN ) (resid 31 and name HA ) 2.86 0.75 0.5 ! 11300 0.5 0.2 1 15N assign (resid 32 and name HN ) (resid 31 and name HB# ) 4.26 0.87 0.5 ! 23100 1 0.5 1.5 3 15N assign (resid 33 and name HN ) (resid 32 and name HA ) 3.01 0.75 0.5 ! 8300 0.5 0.2 1 15N assign (resid 33 and name HN ) (resid 32 and name HB# ) 3.56 0.87 0.5 ! 14800 0.9 0.5 0.5 2 15N assign (resid 33 and name HN ) (resid 32 and name CZ ) 5.69 1.15 2.1 ! 4220 2.1 2 2 15N assign (resid 33 and name HN ) (resid 32 and name HN ) 4.6 0.9 0.6 ! 3620 0.6 1 1 15N assign (resid 34 and name HN ) (resid 33 and name HA ) 2.35 0.75 0.5 ! 41700 0.5 0.2 1 15N assign (resid 34 and name HN ) (resid 33 and name HB1 ) 3.59 0.75 0.5 ! 7000 0.5 0.5 1 15N assign (resid 34 and name HN ) (resid 33 and name HB2 ) 3.82 0.75 0.5 ! 4850 0.5 0.5 1 15N assign (resid 35 and name HN ) (resid 34 and name HB ) 5.6 0.75 0.5 ! 1150 0.5 1 1 15N assign (resid 35 and name HN ) (resid 34 and name HG* ) 4.1 1.17 0.5 ! 29000 1.8 0.5 1.5 3 15N assign (resid 36 and name HN ) (resid 35 and name HA# ) 3.1 0.88 0.5 ! 34520 0.9 0.5 0.5 2 15N assign (resid 37 and name HN ) (resid 36 and name HB# ) 3.82 0.86 0.5 ! 9640 0.9 0.5 0.5 2 15N assign (resid 37 and name HN ) (resid 36 and name HG# ) 4.22 0.85 0.5 ! 5420 0.9 0.5 0.5 2 15N assign (resid 37 and name HN ) (resid 36 and name HN ) 4.18 0.9 0.6 ! 5620 0.6 1 1 15N assign (resid 37 and name HN ) (resid 36 and name HA ) 2.68 0.75 0.5 ! 17200 0.5 0.2 1 15N assign (resid 38 and name HN ) (resid 37 and name HB2 ) 3.18 0.75 0.5 ! 14600 0.5 0.5 1 15N assign (resid 38 and name HN ) (resid 37 and name HB1 ) 3.31 0.75 0.5 ! 11500 0.5 0.5 1 15N assign (resid 38 and name HN ) (resid 37 and name HA ) 2.72 0.75 0.5 ! 15600 0.5 0.2 1 15N assign (resid 39 and name HN ) (resid 38 and name HA ) 2.59 0.75 0.5 ! 21360 0.5 0.2 1 15N assign (resid 39 and name HN ) (resid 38 and name HB# ) 4.49 0.86 0.5 ! 17200 1 0.5 1.5 3 15N assign (resid 39 and name HN ) (resid 40 and name HG* ) 6.21 1.02 0.5 ! 3000 1.8 0.5 1.5 3 15N assign (resid 39 and name HN ) (resid 40 and name HN ) 4.83 0.9 0.6 ! 2890 0.6 1 1 15N assign (resid 40 and name HN ) (resid 39 and name HA ) 2.85 0.75 0.5 ! 11600 0.5 0.2 1 15N assign (resid 40 and name HN ) (resid 39 and name HB# ) 4.44 0.84 0.5 ! 4070 0.9 0.5 0.5 2 15N assign (resid 40 and name HN ) (resid 39 and name HD1 ) 4.5 0.75 0.5 ! 3800 0.5 1 1 15N assign (resid 41 and name HN ) (resid 40 and name HG1# ) 4.89 0.85 0.5 ! 10800 1 0.5 1.5 3 15N assign (resid 41 and name HN ) (resid 40 and name HN ) 2.94 0.9 0.6 ! 32500 0.6 1 1 15N assign (resid 41 and name HN ) (resid 40 and name HA ) 2.73 0.75 0.5 ! 15200 0.5 0.2 1 15N assign (resid 41 and name HN ) (resid 40 and name HG2# ) 4.06 0.88 0.5 ! 30600 1 0.5 1.5 3 15N assign (resid 42 and name HN ) (resid 41 and name HB# ) 3.64 0.86 0.5 ! 12900 0.9 0.5 0.5 2 15N assign (resid 42 and name HN ) (resid 41 and name HN ) 4.25 0.9 0.6 ! 5200 0.6 1 1 15N assign (resid 42 and name HN ) (resid 43 and name HN ) 3.62 0.9 0.6 ! 11300 0.6 1 1 15N assign (resid 43 and name HN ) (resid 42 and name HA ) 2.42 0.75 0.5 ! 33900 0.5 0.2 1 15N assign (resid 43 and name HN ) (resid 42 and name HG* ) 4.69 1.11 0.5 ! 13600 1.8 0.5 1.5 3 15N assign (resid 43 and name HN ) (resid 44 and name HG* ) 5.77 1.04 0.5 ! 4400 1.8 0.5 1.5 3 15N assign (resid 44 and name HN ) (resid 43 and name HN ) 3.37 0.9 0.6 ! 16100 0.6 1 1 15N assign (resid 44 and name HN ) (resid 43 and name HA1 ) 3.35 0.75 0.5 ! 10700 0.5 0.5 1 15N assign (resid 44 and name HN ) (resid 43 and name HA2 ) 3.53 0.75 0.5 ! 7720 0.5 0.5 1 15N assign (resid 45 and name HN ) (resid 44 and name HG1# ) 4.76 0.86 0.5 ! 12400 1 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 44 and name HB ) 4.97 0.75 0.5 ! 2190 0.5 1 1 15N assign (resid 45 and name HN ) (resid 44 and name HN ) 4.45 0.9 0.6 ! 4180 0.6 1 1 15N assign (resid 45 and name HN ) (resid 44 and name HG2# ) 4.85 0.85 0.5 ! 11300 1 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 44 and name HA ) 3.39 0.75 0.5 ! 19600 0.5 1 1 15N assign (resid 46 and name HN ) (resid 45 and name HA ) 2.84 0.75 0.5 ! 11800 0.5 0.2 1 15N assign (resid 46 and name HN ) (resid 45 and name HD2# ) 7.19 0.82 0.5 ! 1410 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 45 and name HD1# ) 5.1 0.85 0.5 ! 8510 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 45 and name HN ) 4.77 0.9 0.6 ! 3040 0.6 1 1 15N assign (resid 47 and name HN ) (resid 46 and name HB# ) 4.37 0.87 0.5 ! 20100 1 0.5 1.5 3 15N assign (resid 47 and name HN ) (resid 46 and name HA ) 2.73 0.75 0.5 ! 15300 0.5 0.2 1 15N assign (resid 47 and name HN ) (resid 46 and name HN ) 5.1 0.9 0.6 ! 2250 0.6 1 1 15N assign (resid 48 and name HN ) (resid 47 and name HA ) 2.87 0.75 0.5 ! 11100 0.5 0.2 1 15N assign (resid 48 and name HN ) (resid 47 and name HB1 ) 3.7 0.75 0.5 ! 5850 0.5 0.5 1 15N assign (resid 48 and name HN ) (resid 47 and name HN ) 4.98 0.9 0.6 ! 2520 0.6 1 1 15N assign (resid 48 and name HN ) (resid 47 and name HB2 ) 3.77 0.75 0.5 ! 5270 0.5 0.5 1 15N assign (resid 50 and name HN ) (resid 49 and name HG# ) 5.69 0.82 0.5 ! 2100 0.9 0.5 1 2 15N assign (resid 50 and name HN ) (resid 51 and name HB# ) 4.73 0.84 0.5 ! 2880 0.9 0.5 0.5 2 15N assign (resid 51 and name HN ) (resid 50 and name HA ) 2.93 0.75 0.5 ! 9790 0.5 0.2 1 15N assign (resid 51 and name HN ) (resid 50 and name HN ) 2.77 0.9 0.6 ! 44600 0.6 1 1 15N assign (resid 51 and name HN ) (resid 50 and name HB# ) 4 0.88 0.5 ! 33500 1 0.5 1.5 3 15N assign (resid 51 and name HN ) (resid 52 and name CG ) 5.48 1.17 2.1 ! 5130 2.1 0.5 2 2 15N assign (resid 51 and name HN ) (resid 52 and name HA ) 3.64 0.75 0.5 ! 2580 0.5 0.2 1 15N assign (resid 52 and name HN ) (resid 51 and name HA ) 2.96 0.75 0.5 ! 9180 0.5 0.2 1 15N assign (resid 52 and name HN ) (resid 51 and name HN ) 2.66 0.9 0.6 ! 54800 0.6 1 1 15N assign (resid 52 and name HN ) (resid 51 and name HB# ) 4.25 0.85 0.5 ! 5210 0.9 0.5 0.5 2 15N assign (resid 52 and name HN ) (resid 53 and name HN ) 4.02 0.9 0.6 ! 6730 0.6 1 1 15N assign (resid 53 and name HN ) (resid 52 and name HB# ) 3.84 0.86 0.5 ! 9420 0.9 0.5 0.5 2 15N assign (resid 53 and name HN ) (resid 52 and name HA ) 2.85 0.75 0.5 ! 11500 0.5 0.2 1 15N assign (resid 53 and name HN ) (resid 52 and name CG ) 5.28 1.19 2.1 ! 6270 2.1 2 2 15N assign (resid 54 and name HN ) (resid 53 and name HA ) 2.45 0.75 0.5 ! 31500 0.5 0.2 1 15N assign (resid 54 and name HN ) (resid 53 and name HB# ) 3.03 0.89 0.5 ! 39300 0.9 0.5 0.5 2 15N assign (resid 54 and name HN ) (resid 55 and name HN ) 3.5 0.9 0.6 ! 13300 0.6 1 1 15N assign (resid 55 and name HN ) (resid 54 and name HA ) 2.53 0.75 0.5 ! 25500 0.5 0.2 1 15N assign (resid 55 and name HN ) (resid 54 and name HB# ) 3.57 0.87 0.5 ! 14500 0.9 0.5 0.5 2 15N assign (resid 56 and name HN ) (resid 55 and name HG* ) 4.26 1.15 0.5 ! 23300 1.8 0.5 1.5 3 15N assign (resid 56 and name HN ) (resid 55 and name HB ) 3.5 0.75 0.5 ! 16200 0.5 1 1 15N assign (resid 58 and name HN ) (resid 57 and name HA ) 2.28 0.75 0.5 ! 51400 0.5 0.2 1 15N assign (resid 58 and name HN ) (resid 57 and name HB# ) 3.36 0.9 0.5 ! 94200 1 0.5 1.5 3 15N assign (resid 59 and name HN ) (resid 58 and name HN ) 3.6 0.9 0.6 ! 11600 0.6 1 1 15N assign (resid 59 and name HN ) (resid 58 and name HB# ) 3.08 0.88 0.5 ! 35600 0.9 0.5 0.5 2 15N assign (resid 59 and name HN ) (resid 58 and name HA ) 2.57 0.75 0.5 ! 22800 0.5 0.2 1 15N assign (resid 60 and name HN ) (resid 59 and name HB# ) 3.88 0.88 0.5 ! 39600 1 0.5 1.5 3 15N assign (resid 60 and name HN ) (resid 59 and name HA ) 2.75 0.75 0.5 ! 14700 0.5 0.2 1 15N assign (resid 61 and name HN ) (resid 60 and name HA ) 3.17 0.75 0.5 ! 5920 0.5 0.2 1 15N assign (resid 61 and name HN ) (resid 60 and name HN ) 2.61 0.9 0.6 ! 61700 0.6 1 1 15N assign (resid 61 and name HN ) (resid 60 and name HB# ) 3.76 0.86 0.5 ! 10600 0.9 0.5 0.5 2 15N assign (resid 61 and name HN ) (resid 62 and name HN ) 2.69 0.9 0.6 ! 51500 0.6 1 1 15N assign (resid 62 and name HN ) (resid 61 and name HA1 ) 3.09 0.75 0.5 ! 17300 0.5 0.5 1 15N assign (resid 62 and name HN ) (resid 61 and name HA2 ) 3.55 0.75 0.5 ! 7490 0.5 0.5 1 15N assign (resid 62 and name HN ) (resid 63 and name HB# ) 5.72 0.84 0.5 ! 4610 1 0.5 1.5 3 15N assign (resid 63 and name HN ) (resid 62 and name HB# ) 3.2 0.88 0.5 ! 28000 0.9 0.5 0.5 2 15N assign (resid 63 and name HN ) (resid 62 and name HA ) 2.4 0.75 0.5 ! 35800 0.5 0.2 1 15N assign (resid 63 and name HN ) (resid 64 and name HN ) 3.64 0.9 0.6 ! 11000 0.6 1 1 15N assign (resid 64 and name HN ) (resid 63 and name HB# ) 4.01 0.88 0.5 ! 33000 1 0.5 1.5 3 15N assign (resid 64 and name HN ) (resid 63 and name HA ) 2.52 0.75 0.5 ! 25890 0.5 0.2 1 15N assign (resid 64 and name HN ) (resid 65 and name HN ) 3.65 0.9 0.6 ! 10800 0.6 1 1 15N assign (resid 64 and name HN ) (resid 65 and name HB ) 4.64 0.75 0.5 ! 3210 0.5 1 1 15N assign (resid 65 and name HN ) (resid 64 and name HB# ) 3.51 0.87 0.5 ! 15900 0.9 0.5 0.5 2 15N assign (resid 65 and name HN ) (resid 64 and name HA ) 2.53 0.75 0.5 ! 25100 0.5 0.2 1 15N assign (resid 66 and name HN ) (resid 65 and name HG* ) 4.19 1.16 0.5 ! 25700 1.8 0.5 1.5 3 15N assign (resid 66 and name HN ) (resid 65 and name HB ) 4.28 0.75 0.5 ! 5040 0.5 1 1 15N assign (resid 66 and name HN ) (resid 65 and name HN ) 3.79 0.9 0.6 ! 8970 0.6 1 1 15N assign (resid 66 and name HN ) (resid 67 and name HG ) 4.14 0.75 0.5 ! 6060 0.5 1 1 15N assign (resid 67 and name HN ) (resid 66 and name HA ) 2.7 0.75 0.5 ! 16400 0.5 0.2 1 15N assign (resid 67 and name HN ) (resid 66 and name HN ) 4.94 0.9 0.6 ! 2600 0.6 1 1 15N assign (resid 67 and name HN ) (resid 66 and name HB# ) 3.66 0.86 0.5 ! 12400 0.9 0.5 0.5 2 15N assign (resid 68 and name HN ) (resid 67 and name HD* ) 4.88 1.09 0.5 ! 10900 1.8 0.5 1.5 3 15N assign (resid 69 and name HN ) (resid 68 and name HN ) 5.13 0.9 0.6 ! 2200 0.6 1 1 15N assign (resid 69 and name HN ) (resid 68 and name HB ) 4.3 0.75 0.5 ! 4880 0.5 1 1 15N assign (resid 69 and name HN ) (resid 68 and name HA ) 2.48 0.75 0.5 ! 28620 0.5 0.2 1 15N assign (resid 70 and name HN ) (resid 69 and name HG2# ) 5.28 0.85 0.5 ! 7080 1 0.5 1.5 3 15N assign (resid 70 and name HN ) (resid 69 and name HB ) 3.8 0.75 0.5 ! 9990 0.5 1 1 15N assign (resid 70 and name HN ) (resid 69 and name HA ) 3.11 0.75 0.5 ! 6680 0.5 0.2 1 15N assign (resid 70 and name HN ) (resid 69 and name HG1# ) 4.72 0.86 0.5 ! 13100 1 0.5 1.5 3 15N assign (resid 71 and name HN ) (resid 70 and name HA ) 3.18 0.75 0.5 ! 5890 0.5 0.2 1 15N assign (resid 71 and name HN ) (resid 70 and name HD# ) 3.98 0.85 0.5 ! 7660 0.9 0.5 0.5 2 15N assign (resid 72 and name HN ) (resid 71 and name HN ) 3.09 0.9 0.6 ! 24900 0.6 1 1 15N assign (resid 72 and name HN ) (resid 71 and name HG# ) 3.65 0.86 0.5 ! 12600 0.9 0.5 0.5 2 15N assign (resid 72 and name HN ) (resid 71 and name HB# ) 3.42 0.87 0.5 ! 18600 0.9 0.5 0.5 2 15N assign (resid 73 and name HN ) (resid 72 and name HA ) 2.83 0.75 0.5 ! 12200 0.5 0.2 1 15N assign (resid 73 and name HN ) (resid 72 and name HB2 ) 3.27 0.75 0.5 ! 12300 0.5 0.5 1 15N assign (resid 73 and name HN ) (resid 72 and name HB1 ) 3.27 0.75 0.5 ! 12300 0.5 0.5 1 15N assign (resid 73 and name HN ) (resid 72 and name HN ) 4.05 0.9 0.6 ! 6520 0.6 1 1 15N assign (resid 73 and name HN ) (resid 74 and name HN ) 4.91 0.9 0.6 ! 2680 0.6 1 1 15N assign (resid 74 and name HN ) (resid 73 and name HA ) 3.1 0.75 0.5 ! 6860 0.5 0.2 1 15N assign (resid 74 and name HN ) (resid 73 and name HB# ) 3.53 0.87 0.5 ! 15400 0.9 0.5 0.5 2 15N assign (resid 75 and name HN ) (resid 74 and name HB# ) 4.35 0.84 0.5 ! 4560 0.9 0.5 0.5 2 15N assign (resid 75 and name HN ) (resid 74 and name HA ) 2.87 0.75 0.5 ! 11000 0.5 0.2 1 15N assign (resid 75 and name HN ) (resid 74 and name HG# ) 4.91 0.83 0.5 ! 2340 0.9 0.5 0.5 2 15N assign (resid 76 and name HN ) (resid 75 and name HA2 ) 3.39 0.75 0.5 ! 9800 0.5 0.5 1 15N assign (resid 76 and name HN ) (resid 75 and name HA1 ) 4.26 0.75 0.5 ! 2590 0.5 0.5 1 15N assign (resid 76 and name HN ) (resid 77 and name HN ) 4.58 0.9 0.6 ! 3670 0.6 1 1 15N assign (resid 77 and name HN ) (resid 76 and name HB# ) 4.93 0.83 0.5 ! 2270 0.9 0.5 0.5 2 15N assign (resid 77 and name HN ) (resid 76 and name HA ) 2.54 0.75 0.5 ! 24700 0.5 0.2 1 15N assign (resid 78 and name HN ) (resid 77 and name HD1# ) 5.04 0.85 0.5 ! 9110 1 0.5 1.5 3 15N assign (resid 78 and name HN ) (resid 77 and name HG ) 3.84 0.75 0.5 ! 9400 0.5 1 1 15N assign (resid 78 and name HN ) (resid 77 and name HB# ) 3.88 0.86 0.5 ! 8880 0.9 0.5 0.5 2 15N assign (resid 78 and name HN ) (resid 77 and name HD2# ) 5.39 0.84 0.5 ! 6310 1 0.5 1.5 3 15N assign (resid 78 and name HN ) (resid 77 and name HA ) 2.95 0.75 0.5 ! 9320 0.5 0.2 1 15N assign (resid 78 and name HN ) (resid 79 and name HN ) 3.28 0.9 0.6 ! 18460 0.6 1 1 15N assign (resid 79 and name HN ) (resid 78 and name HA ) 3.29 0.75 0.5 ! 4720 0.5 0.2 1 15N assign (resid 79 and name HN ) (resid 78 and name HB# ) 4.54 0.84 0.5 ! 3620 0.9 0.5 0.5 2 15N assign (resid 80 and name HN ) (resid 79 and name HN ) 2.59 0.9 0.6 ! 63200 0.6 1 1 15N assign (resid 80 and name HN ) (resid 79 and name HB2 ) 4.04 0.75 0.5 ! 3510 0.5 0.5 1 15N assign (resid 80 and name HN ) (resid 79 and name HB1 ) 4.07 0.75 0.5 ! 3340 0.5 0.5 1 15N assign (resid 80 and name HN ) (resid 81 and name HN ) 3.02 0.5 0.6 ! 28200 0.6 1 1 15N assign (resid 81 and name HN ) (resid 80 and name HA2 ) 3.55 0.75 0.5 ! 7520 0.5 0.5 1 15N assign (resid 81 and name HN ) (resid 80 and name HA1 ) 3.12 0.75 0.5 ! 16400 0.5 0.5 1 15N assign (resid 81 and name HN ) (resid 82 and name HN ) 4.01 0.9 0.6 ! 6880 0.6 1 1 15N assign (resid 82 and name HN ) (resid 81 and name HA ) 2.47 0.75 0.5 ! 29400 0.5 0.2 1 15N assign (resid 82 and name HN ) (resid 81 and name HG* ) 4.07 1.17 0.5 ! 30100 1.8 0.5 1.5 3 15N assign (resid 83 and name HN ) (resid 82 and name HA ) 2.77 0.75 0.5 ! 13800 0.5 0.2 1 15N assign (resid 83 and name HN ) (resid 82 and name HG# ) 4.3 0.85 0.5 ! 9830 0.9 0.5 1 2 15N assign (resid 83 and name HN ) (resid 82 and name HB# ) 4.16 0.85 0.5 ! 5930 0.9 0.5 0.5 2 15N assign (resid 84 and name HN ) (resid 83 and name HB# ) 3.58 0.86 0.5 ! 14200 0.9 0.5 0.5 2 15N assign (resid 84 and name HN ) (resid 83 and name HA ) 3.4 0.75 0.5 ! 3910 0.5 0.2 1 15N assign (resid 84 and name HN ) (resid 83 and name HN ) 3.3 0.9 0.6 ! 17900 0.6 1 1 15N assign (resid 85 and name HN ) (resid 84 and name HN ) 3.86 0.9 0.6 ! 8250 0.6 1 1 15N assign (resid 85 and name HN ) (resid 84 and name HA# ) 2.99 0.89 0.5 ! 43200 0.9 0.5 0.5 2 15N assign (resid 85 and name HN ) (resid 86 and name HN ) 3.78 0.9 0.6 ! 9070 0.6 1 1 15N assign (resid 86 and name HN ) (resid 85 and name HA ) 2.63 0.75 0.5 ! 19800 0.5 0.2 1 15N assign (resid 86 and name HN ) (resid 85 and name HG2# ) 4.38 0.87 0.5 ! 19800 1 0.5 1.5 3 15N assign (resid 87 and name HN ) (resid 86 and name HG1# ) 3.91 0.88 0.5 ! 37900 1 0.5 1.5 3 15N assign (resid 87 and name HN ) (resid 86 and name HG2# ) 4.59 0.86 0.5 ! 15200 1 0.5 1.5 3 15N assign (resid 87 and name HN ) (resid 86 and name HN ) 3.97 0.9 0.6 ! 7170 0.6 1 1 15N assign (resid 87 and name HN ) (resid 86 and name HA ) 2.28 0.75 0.5 ! 51900 0.5 0.2 1 15N assign (resid 88 and name HN ) (resid 87 and name HN ) 4.37 0.9 0.6 ! 4590 0.6 1 1 15N assign (resid 89 and name HN ) (resid 88 and name HA ) 3.6 0.75 0.5 ! 2730 0.5 0.2 1 15N assign (resid 89 and name HN ) (resid 88 and name HB2 ) 4.39 0.75 0.5 ! 2190 0.5 0.5 1 15N assign (resid 89 and name HN ) (resid 88 and name HB1 ) 4.28 0.75 0.5 ! 2510 0.5 0.5 1 15N assign (resid 89 and name HN ) (resid 90 and name HN ) 3.21 0.9 0.6 ! 20500 0.6 1 1 15N assign (resid 90 and name HN ) (resid 89 and name HB ) 4.09 0.75 0.5 ! 6510 0.5 1 1 15N assign (resid 90 and name HN ) (resid 89 and name HA ) 3.16 0.75 0.5 ! 6130 0.5 0.2 1 15N assign (resid 91 and name HN ) (resid 90 and name HB ) 4.09 0.75 0.5 ! 6490 0.5 1 1 15N assign (resid 91 and name HN ) (resid 90 and name HN ) 2.77 0.9 0.6 ! 43900 0.6 1 1 15N assign (resid 91 and name HN ) (resid 90 and name HG2# ) 3.62 0.89 0.5 ! 60000 1 0.5 1.5 3 15N assign (resid 92 and name HN ) (resid 91 and name HA ) 2.18 0.75 0.5 ! 69600 0.5 0.2 1 15N assign (resid 92 and name HN ) (resid 91 and name HB# ) 3.62 0.89 0.5 ! 59800 1 0.5 1.5 3 15N assign (resid 93 and name HN ) (resid 92 and name HB# ) 4.95 0.85 0.5 ! 10000 1 0.5 1.5 3 15N assign (resid 93 and name HN ) (resid 92 and name HN ) 4.82 0.9 0.6 ! 2910 0.6 1 1 15N assign (resid 94 and name HN ) (resid 93 and name HB2 ) 4.17 0.75 0.5 ! 2920 0.5 0.5 1 15N assign (resid 94 and name HN ) (resid 93 and name HB1 ) 3.93 0.75 0.5 ! 4130 0.5 0.5 1 15N assign (resid 95 and name HN ) (resid 94 and name HG1 ) 3.05 0.75 0.5 ! 18800 0.5 0.5 1 15N assign (resid 95 and name HN ) (resid 94 and name HG2 ) 3.83 0.75 0.5 ! 4760 0.5 0.5 1 15N assign (resid 95 and name HN ) (resid 94 and name HB# ) 3.69 0.86 0.5 ! 23700 0.9 0.5 1 2 15N assign (resid 95 and name HN ) (resid 94 and name HA ) 2.64 0.75 0.5 ! 19300 0.5 0.2 1 15N assign (resid 96 and name HN ) (resid 95 and name HB ) 4.13 0.75 0.5 ! 6160 0.5 1 1 15N assign (resid 96 and name HN ) (resid 95 and name HG* ) 3.78 1.21 0.5 ! 46400 1.8 0.5 1.5 3 15N assign (resid 96 and name HN ) (resid 95 and name HA ) 2.59 0.75 0.5 ! 21400 0.5 0.2 1 15N assign (resid 96 and name HN ) (resid 97 and name HN ) 4.28 0.9 0.6 ! 5010 0.6 1 1 15N assign (resid 97 and name HN ) (resid 96 and name HA1 ) 3.14 0.75 0.5 ! 15900 0.5 0.5 1 15N assign (resid 97 and name HN ) (resid 96 and name HA2 ) 3.16 0.75 0.5 ! 15100 0.5 0.5 1 15N assign (resid 98 and name HN ) (resid 97 and name HA ) 2.88 0.75 0.5 ! 10800 0.5 0.2 1 15N assign (resid 98 and name HN ) (resid 97 and name HG ) 3.94 0.75 0.5 ! 8090 0.5 1 1 15N assign (resid 98 and name HN ) (resid 97 and name HB2 ) 3.46 0.75 0.5 ! 8660 0.5 0.5 1 15N assign (resid 98 and name HN ) (resid 97 and name HB1 ) 3.38 0.75 0.5 ! 10000 0.5 0.5 1 15N assign (resid 98 and name HN ) (resid 97 and name HN ) 4.76 0.9 0.6 ! 3070 0.6 1 1 15N assign (resid 98 and name HN ) (resid 97 and name HD* ) 5.8 1.04 0.5 ! 4290 1.8 0.5 1.5 3 15N assign (resid 100 and name HN ) (resid 99 and name HB1 ) 3.27 0.75 0.5 ! 12300 0.5 0.5 1 15N assign (resid 100 and name HN ) (resid 99 and name HB2 ) 3.08 0.75 0.5 ! 17900 0.5 0.5 1 15N assign (resid 101 and name HN ) (resid 100 and name HA ) 2.75 0.75 0.5 ! 14600 0.5 0.2 1 15N assign (resid 101 and name HN ) (resid 100 and name HN ) 3.21 0.9 0.6 ! 20500 0.6 1 1 15N assign (resid 101 and name HN ) (resid 102 and name HN ) 2.84 0.9 0.6 ! 38800 0.6 1 1 15N assign (resid 102 and name HN ) (resid 101 and name HB# ) 4.19 0.87 0.5 ! 25600 1 0.5 1.5 3 15N assign (resid 102 and name HN ) (resid 103 and name HA ) 3.29 0.75 0.5 ! 4710 0.5 0.2 1 15N assign (resid 102 and name HN ) (resid 103 and name HB# ) 4.62 0.84 0.5 ! 3280 0.9 0.5 0.5 2 15N assign (resid 103 and name HN ) (resid 102 and name HN ) 2.86 0.9 0.6 ! 37200 0.6 1 1 15N assign (resid 104 and name HN ) (resid 103 and name HB2 ) 3.15 0.75 0.5 ! 15600 0.5 0.5 1 15N assign (resid 104 and name HN ) (resid 103 and name HA ) 2.09 0.75 0.5 ! 93000 0.5 0.2 1 15N assign (resid 104 and name HN ) (resid 103 and name HB1 ) 2.95 0.75 0.5 ! 23100 0.5 0.5 1 15N assign (resid 104 and name HN ) (resid 103 and name HN ) 3.65 0.9 0.6 ! 10800 0.6 1 1 15N assign (resid 104 and name HN ) (resid 103 and name HD21 ) 4.83 0.75 0.5 ! 2550 0.5 1 1 15N assign (resid 106 and name HN ) (resid 105 and name HA ) 2.76 0.75 0.5 ! 7180 0.5 0.1 1 15N assign (resid 107 and name HN ) (resid 106 and name HB# ) 3.24 0.88 0.5 ! 25800 0.9 0.5 0.5 2 15N assign (resid 108 and name HN ) (resid 107 and name HA2 ) 2.78 0.75 0.5 ! 13500 0.5 0.2 1 15N assign (resid 108 and name HN ) (resid 107 and name HA1 ) 2.72 0.75 0.5 ! 15700 0.5 0.2 1 15N assign (resid 108 and name HN ) (resid 109 and name HN ) 3.76 0.9 0.6 ! 9270 0.6 1 1 15N assign (resid 109 and name HN ) (resid 108 and name HG2# ) 3.9 0.88 0.5 ! 38900 1 0.5 1.5 3 15N assign (resid 109 and name HN ) (resid 108 and name HA ) 2.22 0.75 0.5 ! 61600 0.5 0.2 1 15N assign (resid 109 and name HN ) (resid 108 and name HG1# ) 4.01 0.88 0.5 ! 32900 1 0.5 1.5 3 15N assign (resid 109 and name HN ) (resid 108 and name HB ) 3.93 0.75 0.5 ! 8170 0.5 1 1 15N assign (resid 110 and name HN ) (resid 109 and name HA ) 2.5 0.75 0.5 ! 27400 0.5 0.2 1 15N assign (resid 111 and name HN ) (resid 110 and name HG11 ) 3.59 0.75 0.5 ! 14100 0.5 1 1 15N assign (resid 111 and name HN ) (resid 110 and name HD# ) 4.32 0.87 0.5 ! 21400 1 0.5 1.5 3 15N assign (resid 111 and name HN ) (resid 110 and name HA ) 2.7 0.75 0.5 ! 16500 0.5 0.2 1 15N assign (resid 111 and name HN ) (resid 112 and name HN ) 5.26 0.9 0.6 ! 1960 0.6 1 1 15N assign (resid 112 and name HN ) (resid 111 and name HA ) 2.8 0.75 0.5 ! 13100 0.5 0.2 1 15N assign (resid 112 and name HN ) (resid 111 and name HB# ) 3.56 0.87 0.5 ! 14700 0.9 0.5 0.5 2 15N assign (resid 113 and name HN ) (resid 112 and name HB# ) 4.15 0.85 0.5 ! 6000 0.9 0.5 0.5 2 15N assign (resid 2 and name HN ) (resid 4 and name HG2# ) 5.4 0.84 0.5 ! 6260 1 0.5 1.5 3 15N assign (resid 7 and name HN ) (resid 5 and name HA ) 4.68 0.75 0.5 ! 1530 0.5 0.5 1 15N assign (resid 10 and name HN ) (resid 8 and name HG2# ) 5.54 0.84 0.5 ! 5450 1 0.5 1.5 3 15N assign (resid 11 and name HN ) (resid 9 and name HG# ) 5.3 0.83 0.5 ! 3070 0.9 0.5 1 2 15N assign (resid 11 and name HN ) (resid 9 and name HB1 ) 3.54 0.75 0.5 ! 7610 0.5 0.5 1 15N assign (resid 11 and name HN ) (resid 9 and name HB2 ) 3.54 0.75 0.5 ! 7630 0.5 0.5 1 15N assign (resid 11 and name HN ) (resid 9 and name HA ) 3.69 0.75 0.5 ! 5900 0.5 0.5 1 15N assign (resid 11 and name HN ) (resid 13 and name HD2# ) 5.04 0.85 0.5 ! 9090 1 0.5 1.5 3 15N assign (resid 11 and name HN ) (resid 13 and name HD1# ) 5.04 0.85 0.5 ! 9090 1 0.5 1.5 3 15N assign (resid 13 and name HN ) (resid 11 and name HA ) 4.14 0.75 0.5 ! 3040 0.5 0.5 1 15N assign (resid 14 and name HN ) (resid 12 and name HA# ) 4.1 0.85 0.5 ! 12800 0.9 0.5 1 2 15N assign (resid 17 and name HN ) (resid 15 and name HN ) 4.79 0.9 0.6 ! 3000 0.6 1 1 15N assign (resid 19 and name HN ) (resid 17 and name HG2# ) 5.21 0.85 0.5 ! 7600 1 0.5 1.5 3 15N assign (resid 24 and name HN ) (resid 26 and name HD* ) 4.81 1.1 0.5 ! 11700 1.8 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 38 and name HB# ) 6.24 0.83 0.5 ! 1940 1 0.5 1 3 15N assign (resid 41 and name HN ) (resid 39 and name HD1 ) 4.2 0.75 0.5 ! 5590 0.5 1 1 15N assign (resid 41 and name HN ) (resid 39 and name HA ) 4.13 0.75 0.5 ! 3070 0.5 0.5 1 15N assign (resid 42 and name HN ) (resid 44 and name HG* ) 5.27 1.07 0.5 ! 7160 1.8 0.5 1.5 3 15N assign (resid 44 and name HN ) (resid 42 and name HN ) 4.12 0.9 0.6 ! 6000 0.6 1 1 15N assign (resid 51 and name HN ) (resid 53 and name HN ) 5.91 0.9 0.6 ! 1180 0.6 1 1 15N assign (resid 52 and name HN ) (resid 50 and name HA ) 4.01 0.75 0.5 ! 3630 0.5 0.5 1 15N assign (resid 52 and name HN ) (resid 50 and name HB# ) 4.93 0.85 0.5 ! 10300 1 0.5 1.5 3 15N assign (resid 52 and name HN ) (resid 50 and name HN ) 3.99 0.9 0.6 ! 7000 0.6 1 1 15N assign (resid 58 and name HN ) (resid 56 and name HG2# ) 4.19 0.87 0.5 ! 25400 1 0.5 1.5 3 15N assign (resid 59 and name HN ) (resid 61 and name HN ) 3.22 0.9 0.6 ! 20000 0.6 1 1 15N assign (resid 60 and name HN ) (resid 58 and name HB# ) 4.26 0.85 0.5 ! 5190 0.9 0.5 0.5 2 15N assign (resid 60 and name HN ) (resid 58 and name HN ) 4.13 0.9 0.6 ! 5930 0.6 1 1 15N assign (resid 73 and name HN ) (resid 75 and name HN ) 4.7 0.9 0.6 ! 3260 0.6 1 1 15N assign (resid 77 and name HN ) (resid 79 and name HN ) 4.19 0.9 0.6 ! 5570 0.6 1 1 15N assign (resid 79 and name HN ) (resid 77 and name HD* ) 5.78 1.04 0.5 ! 4340 1.8 0.5 1.5 3 15N assign (resid 79 and name HN ) (resid 77 and name HG ) 4.38 0.75 0.5 ! 4400 0.5 1 1 15N assign (resid 80 and name HN ) (resid 78 and name HN ) 5.2 0.9 0.6 ! 2060 0.6 1 1 15N assign (resid 81 and name HN ) (resid 79 and name HN ) 4.07 0.9 0.6 ! 6350 0.6 1 1 15N assign (resid 84 and name HN ) (resid 82 and name HB# ) 4.83 0.83 0.5 ! 2560 0.9 0.5 0.5 2 15N assign (resid 84 and name HN ) (resid 82 and name HG# ) 3.93 0.85 0.5 ! 8220 0.9 0.5 0.5 2 15N assign (resid 84 and name HN ) (resid 86 and name HG2# ) 4.75 0.86 0.5 ! 2800 1 0.5 0.5 2 15N assign (resid 88 and name HN ) (resid 86 and name HG1# ) 6.01 0.83 0.5 ! 3550 1 0.5 1.5 3 15N assign (resid 88 and name HN ) (resid 90 and name HG2# ) 5.45 0.84 0.5 ! 5980 1 0.5 1.5 3 15N assign (resid 89 and name HN ) (resid 91 and name HN ) 3.77 0.9 0.6 ! 9210 0.6 1 1 15N assign (resid 93 and name HN ) (resid 91 and name HN ) 5.53 0.9 0.6 ! 1580 0.6 1 1 15N assign (resid 101 and name HN ) (resid 99 and name HB2 ) 3.79 0.75 0.5 ! 5060 0.5 0.5 1 15N assign (resid 101 and name HN ) (resid 99 and name HB1 ) 4.45 0.75 0.5 ! 2020 0.5 0.5 1 15N assign (resid 101 and name HN ) (resid 103 and name HN ) 3.52 0.9 0.6 ! 12900 0.6 1 1 15N assign (resid 102 and name HN ) (resid 100 and name HN ) 4.2 0.9 0.6 ! 5500 0.6 1 1 15N assign (resid 10 and name HN ) (resid 13 and name HD2# ) 5.75 0.84 0.5 ! 4460 1 0.5 1.5 3 15N assign (resid 10 and name HN ) (resid 13 and name HD1# ) 5.89 0.84 0.5 ! 3960 1 0.5 1.5 3 15N assign (resid 14 and name HN ) (resid 17 and name HG2# ) 4.65 0.86 0.5 ! 14200 1 0.5 1.5 3 15N assign (resid 23 and name HN ) (resid 26 and name HD2# ) 5.39 0.84 0.5 ! 6310 1 0.5 1.5 3 15N assign (resid 23 and name HN ) (resid 26 and name HD1# ) 5.16 0.85 0.5 ! 8040 1 0.5 1.5 3 15N assign (resid 41 and name HN ) (resid 44 and name HG1# ) 4.72 0.86 0.6 ! 13000 1 0.5 1.5 3 15N assign (resid 41 and name HN ) (resid 44 and name HG2# ) 4.66 0.86 0.5 ! 14100 1 0.5 1.5 3 15N assign (resid 44 and name HN ) (resid 41 and name HB# ) 4.58 0.84 0.5 ! 3430 0.9 0.5 0.5 2 15N assign (resid 58 and name HN ) (resid 55 and name HG* ) 5.31 1.06 0.5 ! 6830 1.8 0.5 1.5 3 15N assign (resid 61 and name HN ) (resid 58 and name HN ) 3.52 0.9 0.6 ! 12800 0.6 1 1 15N assign (resid 80 and name HN ) (resid 77 and name HN ) 5.07 0.9 0.6 ! 2320 0.6 1 1 15N assign (resid 87 and name HN ) (resid 90 and name HG2# ) 4.52 0.86 0.5 ! 16600 1 0.5 1.5 3 15N assign (resid 99 and name HN ) (resid 102 and name HN ) 4.51 0.9 0.6 ! 3940 0.6 1 1 15N assign (resid 13 and name HN ) (resid 17 and name HG2# ) 4.47 0.86 0.5 ! 17800 1 0.5 1.5 3 15N assign (resid 17 and name HN ) (resid 13 and name HD1# ) 5.97 0.83 0.5 ! 3690 1 0.5 1.5 3 15N assign (resid 17 and name HN ) (resid 13 and name HB# ) 4.06 1 1 ! 13600 0.9 1 2 15N assign (resid 17 and name HN ) (resid 13 and name HD2# ) 5.43 0.84 0.5 ! 6100 1 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 44 and name HG2# ) 5.49 0.84 0.5 ! 5710 1 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 44 and name HG1# ) 5.66 1 0.5 ! 4860 1 0.5 1.5 3 15N assign (resid 43 and name HN ) (resid 39 and name HD1 ) 4.3 0.75 0.5 ! 4880 0.5 1 1 15N assign (resid 43 and name HN ) (resid 39 and name HE1 ) 4.38 0.75 0.5 ! 4400 0.5 1 1 15N assign (resid 44 and name HN ) (resid 40 and name HN ) 4.14 0.9 0.6 ! 5900 0.6 1 1 15N assign (resid 44 and name HN ) (resid 40 and name HG* ) 5.83 1.03 0.5 ! 4150 1.8 0.5 1.5 3 15N assign (resid 62 and name HN ) (resid 58 and name HB# ) 3.84 0.86 0.5 ! 9410 0.9 0.5 0.5 2 15N assign (resid 62 and name HN ) (resid 58 and name HN ) 3.12 0.9 0.6 ! 23800 0.6 1 1 15N assign (resid 81 and name HN ) (resid 77 and name HN ) 4.52 0.9 0.6 ! 3910 0.6 1 1 15N assign (resid 81 and name HN ) (resid 77 and name HG ) 4.77 0.75 0.5 ! 2750 0.5 1 1 15N assign (resid 81 and name HN ) (resid 77 and name HB2 ) 4.22 0.75 0.5 ! 2740 0.5 0.5 1 15N assign (resid 81 and name HN ) (resid 77 and name HD* ) 6.48 1.01 0.5 ! 2400 1.8 0.5 1.5 3 15N assign (resid 81 and name HN ) (resid 77 and name HB1 ) 3.93 0.75 0.5 ! 4100 0.5 0.5 1 15N assign (resid 87 and name HN ) (resid 83 and name HZ3 ) 5.35 0.75 0.5 ! 1830 0.5 1 1 15N assign (resid 103 and name HN ) (resid 99 and name HN ) 3.81 0.9 0.6 ! 8750 0.6 1 1 15N assign (resid 18 and name HN ) (resid 13 and name HD2# ) 5.75 0.84 0.5 ! 4460 1 0.5 1.5 3 15N assign (resid 18 and name HN ) (resid 13 and name HD1# ) 6.06 0.83 0.5 ! 3390 1 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 45 and name HD* ) 7.15 0.98 0.5 ! 1450 1.8 0.5 1.5 3 15N assign (resid 40 and name HN ) (resid 45 and name HN ) 6.06 0.9 0.6 ! 1060 0.6 1 1 15N assign (resid 44 and name HN ) (resid 39 and name HE1 ) 4.07 0.75 0.5 ! 6670 0.5 1 1 15N assign (resid 44 and name HN ) (resid 39 and name HD1 ) 3.42 0.75 0.5 ! 18600 0.5 1 1 15N assign (resid 47 and name HN ) (resid 52 and name HZ ) 5.11 0.75 0.5 ! 2240 0.5 1 1 15N assign (resid 62 and name HN ) (resid 57 and name HB# ) 4.36 0.87 0.5 ! 20300 1 0.5 1.5 3 15N assign (resid 62 and name HN ) (resid 57 and name HA ) 3.28 0.75 0.5 ! 12000 0.5 0.5 1 15N assign (resid 39 and name HN ) (resid 45 and name HD* ) 6.63 1 0.5 ! 2140 1.8 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 39 and name HD1 ) 3.72 0.75 0.5 ! 11300 0.5 1 1 15N assign (resid 46 and name HN ) (resid 40 and name HG1# ) 4.76 0.86 0.5 ! 12500 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 40 and name HG2# ) 5.36 0.84 0.5 ! 6550 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 40 and name HN ) 4.6 0.9 0.6 ! 3610 0.6 1 1 15N assign (resid 83 and name HN ) (resid 77 and name HD* ) 5.4 1.06 0.5 ! 6250 1.8 0.5 1.5 3 15N assign (resid 104 and name HN ) (resid 98 and name HB# ) 5.24 0.85 0.5 ! 1640 1 0.5 0.5 2 15N assign (resid 38 and name HN ) (resid 45 and name HA ) 3.89 0.75 0.5 ! 4330 0.5 0.5 1 15N assign (resid 38 and name HN ) (resid 45 and name HD2# ) 6.7 0.83 0.5 ! 2020 1 0.5 1.5 3 15N assign (resid 38 and name HN ) (resid 45 and name HG ) 4.36 0.75 0.5 ! 4550 0.5 1 1 15N assign (resid 38 and name HN ) (resid 45 and name HD1# ) 5.26 0.85 0.5 ! 7190 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 39 and name HA ) 3.87 0.75 0.5 ! 4470 0.5 0.5 1 15N assign (resid 83 and name HN ) (resid 76 and name HA ) 3.69 0.75 0.5 ! 5980 0.5 0.5 1 15N assign (resid 93 and name HN ) (resid 86 and name HG1# ) 6.45 0.83 0.5 ! 2450 1 0.5 1.5 3 15N assign (resid 38 and name HN ) (resid 46 and name HN ) 3.61 0.9 0.6 ! 11400 0.6 1 1 15N assign (resid 38 and name HN ) (resid 46 and name HB# ) 5.03 0.85 0.5 ! 9250 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 38 and name HB# ) 4.66 0.86 0.5 ! 14000 1 0.5 1.5 3 15N assign (resid 63 and name HN ) (resid 55 and name HG1# ) 5.4 0.84 0.5 ! 6260 1 0.5 1.5 3 15N assign (resid 84 and name HN ) (resid 76 and name HA ) 4.64 0.75 0.5 ! 1590 0.5 0.5 1 15N assign (resid 97 and name HN ) (resid 105 and name HB# ) 5.01 0.83 0.5 ! 2100 0.9 0.5 0.5 2 15N assign (resid 97 and name HN ) (resid 105 and name HG# ) 4.89 0.83 0.5 ! 2390 0.9 0.5 0.5 2 15N assign (resid 64 and name HN ) (resid 55 and name HG1# ) 4.38 0.87 0.5 ! 19800 1 0.5 1.5 3 15N assign (resid 75 and name HN ) (resid 84 and name HN ) 4.3 0.9 0.6 ! 4930 0.6 1 1 15N assign (resid 97 and name HN ) (resid 106 and name HN ) 4.03 1 1 ! 6660 1 1 15N assign (resid 75 and name HN ) (resid 85 and name HN ) 5.28 0.9 0.6 ! 1940 0.6 1 1 15N assign (resid 76 and name HN ) (resid 86 and name HG* ) 7.34 0.97 0.5 ! 1270 1.8 0.5 1.5 3 15N assign (resid 75 and name HN ) (resid 86 and name HG2# ) 5.27 0.85 0.5 ! 7110 1 0.5 1.5 3 15N assign (resid 75 and name HN ) (resid 86 and name HN ) 3.96 0.9 0.6 ! 7300 0.6 1 1 15N assign (resid 75 and name HN ) (resid 86 and name HG1# ) 6 0.83 0.5 ! 3570 1 0.5 1.5 3 15N assign (resid 97 and name HN ) (resid 108 and name HN ) 5.18 0.9 0.6 ! 2110 0.6 1 1 15N assign (resid 8 and name HN ) (resid 20 and name HB# ) 3.88 0.86 0.5 ! 8810 0.9 0.5 0.5 2 15N assign (resid 20 and name HN ) (resid 8 and name HN ) 3.08 0.9 0.6 ! 25300 0.6 1 1 15N assign (resid 36 and name HE22 ) (resid 48 and name HB# ) 4.49 0.84 0.5 ! 3840 0.9 0.5 0.5 2 15N assign (resid 36 and name HE21 ) (resid 48 and name HB# ) 4.32 0.84 0.5 ! 4790 0.9 0.5 0.5 2 15N assign (resid 48 and name HN ) (resid 36 and name HB# ) 4.93 0.83 0.5 ! 2270 0.9 0.5 0.5 2 15N assign (resid 73 and name HN ) (resid 85 and name HG* ) 4.77 1.1 0.5 ! 12300 1.8 0.5 1.5 3 15N assign (resid 73 and name HN ) (resid 86 and name HG1# ) 4.55 0.86 0.5 ! 16100 1 0.5 1.5 3 15N assign (resid 73 and name HN ) (resid 86 and name HN ) 3.35 0.9 0.6 ! 16500 0.6 1 1 15N assign (resid 73 and name HN ) (resid 86 and name HG2# ) 5.75 0.84 0.5 ! 4480 1 0.5 1.5 3 15N assign (resid 86 and name HN ) (resid 73 and name CG ) 5 0.75 0.5 ! 4210 0.5 1 2 15N assign (resid 53 and name HN ) (resid 67 and name HD* ) 4.95 1.09 0.5 ! 10100 1.8 0.5 1.5 3 15N assign (resid 86 and name HN ) (resid 72 and name HB# ) 4.84 0.83 0.5 ! 2520 0.9 0.5 0.5 2 15N assign (resid 95 and name HN ) (resid 109 and name HN ) 4.08 0.9 0.6 ! 6270 0.6 1 1 15N assign (resid 95 and name HN ) (resid 109 and name HA ) 4.11 0.75 0.5 ! 3180 0.5 0.5 1 15N assign (resid 108 and name HN ) (resid 94 and name HG# ) 3.87 0.86 0.5 ! 8930 0.9 0.5 0.5 2 15N assign (resid 108 and name HN ) (resid 94 and name HA ) 3.77 0.75 0.5 ! 5250 0.5 0.5 1 15N assign (resid 108 and name HN ) (resid 94 and name HB# ) 3.62 0.86 0.5 ! 13300 0.9 0.5 0.5 2 15N assign (resid 22 and name HN ) (resid 7 and name HN ) 4.21 0.9 0.6 ! 5420 0.6 1 1 15N assign (resid 22 and name HN ) (resid 7 and name HG* ) 4.44 1.13 0.5 ! 18400 1.8 0.5 1.5 3 15N assign (resid 22 and name HN ) (resid 7 and name HB ) 4.71 0.75 0.5 ! 2930 0.5 1 1 15N assign (resid 52 and name HN ) (resid 67 and name HD* ) #REF! 1 0.5 ! 1560 1.8 0.5 1.5 3 15N assign (resid 88 and name HN ) (resid 73 and name HB# ) 4.55 1 1 ! 7160 0.9 1 2 15N assign (resid 88 and name HN ) (resid 73 and name CG ) 5.33 1.18 2.1 ! 4460 2.1 1.5 2 15N assign (resid 110 and name HN ) (resid 95 and name HN ) 4.24 0.9 0.6 ! 5240 0.6 1 1 15N assign (resid 22 and name HN ) (resid 6 and name HG2# ) 4.8 0.86 0.5 ! 11900 1 0.5 1.5 3 15N assign (resid 36 and name HN ) (resid 52 and name HN ) 5.17 0.9 0.6 ! 2120 0.6 1 1 15N assign (resid 51 and name HN ) (resid 67 and name HD* ) #REF! 1 0.5 ! 1350 1.8 0.5 1.5 3 15N assign (resid 88 and name HN ) (resid 72 and name HA ) 3.07 0.75 0.5 ! 18240 0.5 0.5 1 15N assign (resid 88 and name HN ) (resid 72 and name HB2 ) 4.92 0.75 0.5 ! 2320 0.5 1 1 15N assign (resid 88 and name HN ) (resid 72 and name HB1 ) 5.1 0.75 0.5 ! 1890 0.5 1 1 15N assign (resid 110 and name HN ) (resid 94 and name HG1 ) 3.83 0.75 0.5 ! 4750 0.5 0.5 1 15N assign (resid 110 and name HN ) (resid 94 and name HG2 ) 4.41 0.75 0.5 ! 2110 0.5 0.5 1 15N assign (resid 6 and name HN ) (resid 23 and name HA1 ) 4.53 0.75 0.5 ! 1830 0.5 0.5 1 15N assign (resid 6 and name HN ) (resid 23 and name HA2 ) 3.02 0.75 0.5 ! 20000 0.5 0.5 1 15N assign (resid 22 and name HN ) (resid 5 and name HA ) 3.65 0.75 0.5 ! 6370 0.5 0.5 1 15N assign (resid 68 and name HN ) (resid 51 and name HB# ) 5.13 0.83 0.5 ! 1840 0.9 0.5 0.5 2 15N assign (resid 68 and name HN ) (resid 50 and name HA ) 3.95 1 1 ! 7980 1 1 15N assign (resid 68 and name HN ) (resid 50 and name HB# ) 5.38 1.5 0.5 ! 6420 1 1.5 3 15N assign (resid 24 and name HN ) (resid 5 and name HB# ) 4.2 0.87 0.5 ! 25200 1 0.5 1.5 3 15N assign (resid 24 and name HN ) (resid 5 and name HA ) 3.2 0.75 0.5 ! 14000 0.5 0.5 1 15N assign (resid 34 and name HN ) (resid 53 and name HN ) 3.74 0.9 0.6 ! 9520 0.6 1 1 15N assign (resid 34 and name HN ) (resid 53 and name HB# ) 4.41 0.84 0.5 ! 4230 0.9 0.5 0.5 2 15N assign (resid 53 and name HN ) (resid 34 and name HG* ) 4.8 1.1 0.5 ! 11900 1.8 0.5 1.5 3 15N assign (resid 53 and name HN ) (resid 34 and name HB ) 4.13 0.75 0.5 ! 6180 0.5 1 1 15N assign (resid 4 and name HN ) (resid 24 and name HB# ) 4.37 0.87 0.5 ! 20000 1 0.5 1.5 3 15N assign (resid 34 and name HN ) (resid 54 and name HA ) 3.81 0.75 0.5 ! 4890 0.5 0.5 1 15N assign (resid 54 and name HN ) (resid 34 and name HG* ) 4.49 1.13 0.5 ! 17200 1.8 0.5 1.5 3 15N assign (resid 4 and name HN ) (resid 25 and name HA# ) 4.2 0.85 0.5 ! 5620 0.9 0.5 0.5 2 15N assign (resid 48 and name HN ) (resid 69 and name HG* ) 6.66 1 1.8 ! 4160 1.8 1.5 6 15N assign (resid 4 and name HN ) (resid 26 and name HD1# ) 6.16 0.83 0.5 ! 3110 1 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 3 and name HA ) 3.89 0.75 0.5 ! 4340 0.5 0.5 1 15N assign (resid 55 and name HN ) (resid 33 and name HA ) 3.87 0.75 0.5 ! 4510 0.5 0.5 1 15N assign (resid 32 and name HN ) (resid 55 and name HG* ) 4.6 1.12 0.5 ! 15000 1.8 0.5 1.5 3 15N assign (resid 32 and name HN ) (resid 55 and name HN ) 3.68 0.9 0.6 ! 10300 0.6 1 1 15N assign (resid 55 and name HN ) (resid 32 and name HB# ) 4.5 0.84 0.5 ! 3780 0.9 0.5 0.5 2 15N assign (resid 32 and name HN ) (resid 56 and name HB ) 5.07 0.75 0.5 ! 1960 0.5 1 1 15N assign (resid 31 and name HN ) (resid 56 and name HB ) 3.49 1 1 ! 16700 1 1 15N assign (resid 31 and name HN ) (resid 56 and name HG2# ) 3.46 0.9 0.5 ! 78700 1 0.5 1.5 3 15N assign (resid 29 and name HN ) (resid 56 and name HG2# ) 3.65 0.89 0.5 ! 56900 1 0.5 1.5 3 15N assign (resid 30 and name HN ) (resid 57 and name HB# ) 4.13 0.87 0.5 ! 27900 1 0.5 1.5 3 15N assign (resid 30 and name HN ) (resid 58 and name HN ) 5.26 0.9 0.6 ! 1960 0.6 1 1 15N assign (resid 75 and name HN ) (resid 46 and name HB# ) 5.43 0.84 0.5 ! 6080 1 0.5 1.5 3 15N assign (resid 46 and name HN ) (resid 76 and name HB# ) 6.31 1 0.8 ! 1220 0.9 0.5 1 2 15N assign (resid 76 and name HN ) (resid 46 and name HB# ) 5.45 0.84 0.5 ! 5940 1 0.5 1.5 3 15N assign (resid 36 and name HN ) (resid 67 and name HD* ) 5.13 1.08 0.5 ! 8250 1.8 0.5 1.5 3 15N assign (resid 45 and name HN ) (resid 77 and name HD* ) 5.8 1.04 0.5 ! 4290 1.8 0.5 1.5 3 15N assign (resid 36 and name HE22 ) (resid 69 and name HG1# ) 5.09 0.85 0.5 ! 8580 1 0.5 1.5 3 15N assign (resid 36 and name HE21 ) (resid 69 and name HG2# ) 6.68 0.83 0.5 ! 2050 1 0.5 1.5 3 15N assign (resid 36 and name HE21 ) (resid 69 and name HG1# ) 5.04 0.85 0.5 ! 9060 1 0.5 1.5 3 15N assign (resid 36 and name HE22 ) (resid 69 and name HG2# ) 6.4 0.83 0.5 ! 2550 1 0.5 1.5 3 15N assign (resid 70 and name HN ) (resid 36 and name HE2# ) 3.57 0.87 0.5 ! 5790 0.9 0.5 0.2 2 15N assign (resid 26 and name HN ) (resid 61 and name HA2 ) 3.95 0.75 0.5 ! 3990 0.5 0.5 1 15N assign (resid 26 and name HN ) (resid 61 and name HN ) 4.05 0.9 0.6 ! 6510 0.6 1 1 15N assign (resid 26 and name HN ) (resid 61 and name HA1 ) 3.28 0.75 0.5 ! 12100 0.5 0.5 1 15N assign (resid 61 and name HN ) (resid 26 and name HD* ) 7.08 0.98 0.5 ! 1520 1.8 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 61 and name HA2 ) 3.92 0.75 0.5 ! 4140 0.5 0.5 1 15N assign (resid 25 and name HN ) (resid 61 and name HA1 ) 4.59 0.75 0.5 ! 1690 0.5 0.5 1 15N assign (resid 26 and name HN ) (resid 62 and name HA ) 4.09 0.75 0.5 ! 3260 0.5 0.5 1 15N assign (resid 26 and name HN ) (resid 62 and name HN ) 4.78 0.9 0.6 ! 3020 0.6 1 1 15N assign (resid 61 and name HN ) (resid 25 and name HN ) 3.52 0.9 0.6 ! 12800 0.6 1 1 15N assign (resid 62 and name HN ) (resid 26 and name HD1# ) 6.54 0.83 0.5 ! 2290 1 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 62 and name HA ) 4.47 0.75 0.5 ! 1970 0.5 0.5 1 15N assign (resid 25 and name HN ) (resid 62 and name HN ) 5.12 0.9 0.6 ! 2210 0.6 1 1 15N assign (resid 36 and name HE21 ) (resid 73 and name HZ ) 4.07 0.75 0.5 ! 8920 0.5 1.4 1 15N assign (resid 36 and name HE22 ) (resid 73 and name HZ ) 4.09 0.75 0.5 ! 8730 0.5 1.4 1 15N assign (resid 63 and name HN ) (resid 26 and name HD2# ) 4.81 1 0.8 ! 11800 1 0.5 1.5 3 15N assign (resid 63 and name HN ) (resid 26 and name HD1# ) 4.73 0.86 0.5 ! 12900 1 0.5 1.5 3 15N assign (resid 25 and name HN ) (resid 63 and name HN ) 4.8 0.9 0.6 ! 2960 0.6 1 1 15N assign (resid 23 and name HN ) (resid 63 and name HB# ) 4.78 0.86 0.5 ! 12200 1 0.5 1.5 3 15N assign (resid 63 and name HN ) (resid 23 and name HA# ) 4.16 0.85 0.5 ! 5880 0.9 0.5 0.5 2 15N assign (resid 63 and name HN ) (resid 23 and name HN ) 3 0.9 0.6 ! 28900 0.6 1 1 15N assign (resid 23 and name HN ) (resid 64 and name HA ) 3.22 0.75 0.5 ! 13600 0.5 0.5 1 15N assign (resid 63 and name HN ) (resid 22 and name HB# ) 4.49 0.86 0.5 ! 17200 1 0.5 1.5 3 15N assign (resid 71 and name HN ) (resid 112 and name CZ ) 5.09 1.2 0.5 ! 5360 2.1 0.5 1.4 2 15N assign (resid 70 and name HN ) (resid 112 and name HZ ) 4.73 0.75 0.5 ! 4440 0.5 1.4 1 15N assign (resid 65 and name HN ) (resid 22 and name HB# ) 5.14 0.85 0.5 ! 8170 1 0.5 1.5 3 15N assign (resid 83 and name HE1 ) (resid 40 and name HG* ) 4.8 1.1 0.5 ! 11900 1.8 0.5 1.5 3 15N assign (resid 65 and name HN ) (resid 21 and name HG* ) 4.37 1.14 0.4 ! 20100 1.8 0.4 1.5 3 15N assign (resid 21 and name HN ) (resid 66 and name HB# ) 4.56 0.84 0.5 ! 3520 0.9 0.5 0.5 2 15N assign (resid 21 and name HN ) (resid 66 and name HA ) 3.7 0.75 0.5 ! 5830 0.5 0.5 1 15N assign (resid 65 and name HN ) (resid 20 and name HE# ) 3.96 0.85 0.5 ! 7810 0.9 0.5 1 1 15N assign (resid 21 and name HN ) (resid 67 and name HD2# ) 5.24 0.7 0.5 ! 7400 1 1.5 3 15N assign (resid 21 and name HN ) (resid 67 and name HD1# ) 3.89 0.7 0.5 ! 39100 1 1.5 3 15N assign (resid 19 and name HN ) (resid 66 and name HA ) 4.58 0.75 0.5 ! 1720 0.5 0.5 1 15N assign (resid 19 and name HN ) (resid 66 and name HB# ) 5.02 0.83 0.5 ! 2060 0.9 0.5 0.5 2 15N assign (resid 19 and name HN ) (resid 67 and name HB# ) 4.98 0.83 0.5 ! 2170 0.9 0.5 0.5 2 15N assign (resid 38 and name HN ) (resid 86 and name HG* ) 4.96 1.09 0.5 ! 9960 1.8 0.5 1.5 3 15N assign (resid 67 and name HN ) (resid 19 and name HN ) 3.73 0.9 0.6 ! 9690 0.6 1 1 15N assign (resid 19 and name HN ) (resid 68 and name HB ) 5.04 0.75 0.5 ! 2030 0.5 1 1 15N assign (resid 91 and name HN ) (resid 40 and name HG1# ) 5.52 0.75 0.5 ! 5550 0.5 1.5 3 15N assign (resid 69 and name HN ) (resid 17 and name HN ) 4.74 0.9 0.6 ! 3140 0.6 1 1 15N assign (resid 92 and name HN ) (resid 40 and name HG1# ) 5.51 1.05 0.5 ! 5640 1.8 0.5 1.5 3 15N assign (resid 17 and name HN ) (resid 70 and name HG# ) 4.93 0.83 0.5 ! 2290 0.9 0.5 0.5 2 15N assign (resid 39 and name HN ) (resid 92 and name HB# ) 6.61 0.83 0.5 ! 2170 1 0.5 1.5 3 15N assign (resid 16 and name HN ) (resid 70 and name HD# ) 4.39 0.84 0.5 ! 4370 0.9 0.5 0.5 2 15N assign (resid 16 and name HN ) (resid 70 and name HA ) 4.22 0.75 0.5 ! 2730 0.5 0.5 1 15N assign (resid 15 and name HN ) (resid 70 and name HB# ) 4.79 1 0.9 ! 5340 0.9 1 2 15N assign (resid 15 and name HN ) (resid 70 and name HD# ) 4.65 1 0.9 ! 6320 0.9 1 2 15N assign (resid 16 and name HN ) (resid 71 and name HN ) 4.15 0.9 0.6 ! 5840 0.6 1 1 15N assign (resid 39 and name HN ) (resid 94 and name HE2# ) 3.91 0.85 0.5 ! 1690 0.9 0.5 0.2 1 15N assign (resid 93 and name HN ) (resid 38 and name HB# ) 4.95 0.85 0.5 ! 10100 1 0.5 1.5 3 15N assign (resid 15 and name HN ) (resid 71 and name HN ) 3.99 0.9 0.6 ! 6970 0.6 1 1 15N assign (resid 71 and name HN ) (resid 15 and name HB1 ) 3.89 0.75 0.5 ! 4340 0.5 0.5 1 15N assign (resid 71 and name HN ) (resid 15 and name HB2 ) 3.99 0.75 0.5 ! 3780 0.5 0.5 1 15N assign (resid 71 and name HN ) (resid 15 and name HA ) 4.01 0.75 0.5 ! 3640 0.5 0.5 1 15N assign (resid 94 and name HN ) (resid 38 and name HB# ) 5.57 0.84 0.5 ! 5290 1 0.5 1.5 3 15N assign (resid 36 and name HE22 ) (resid 93 and name HB1 ) 3.37 0.75 0.5 ! 2050 0.5 0.1 1 15N assign (resid 36 and name HE21 ) (resid 93 and name HB1 ) 3.29 0.75 0.5 ! 2380 0.5 0.1 1 15N assign (resid 36 and name HE21 ) (resid 93 and name HB2 ) 3.4 0.75 0.5 ! 1950 0.5 0.1 1 15N assign (resid 36 and name HE22 ) (resid 93 and name HB2 ) 3.72 0.75 0.5 ! 1130 0.5 0.1 1 15N assign (resid 94 and name HN ) (resid 37 and name HN ) 3.91 0.9 0.6 ! 7740 0.6 1 1 15N assign (resid 37 and name HN ) (resid 95 and name HG* ) 5.34 1.06 0.5 ! 13300 1.8 0.5 1.5 6 15N assign (resid 94 and name HN ) (resid 36 and name HA ) 4.71 0.75 0.5 ! 1460 0.5 0.5 1 15N assign (resid 36 and name HN ) (resid 95 and name HG* ) 5.39 1.06 0.5 ! 12600 1.8 0.5 1.5 6 15N assign (resid 37 and name HN ) (resid 96 and name HN ) 4.81 0.9 0.6 ! 2950 0.6 1 1 15N assign (resid 96 and name HN ) (resid 36 and name HA ) 4 0.75 0.5 ! 3690 0.5 0.5 1 15N assign (resid 35 and name HN ) (resid 96 and name HN ) 3.52 0.9 0.6 ! 12800 0.6 1 1 15N assign (resid 35 and name HN ) (resid 97 and name HA ) 4.02 0.75 0.5 ! 3610 0.5 0.5 1 15N assign (resid 33 and name HN ) (resid 97 and name HB# ) 3.5 1 0.9 ! 32300 0.9 1 2 15N assign (resid 98 and name HN ) (resid 33 and name HB# ) 4.91 0.83 0.5 ! 2340 0.9 0.5 0.5 2 15N assign (resid 98 and name HN ) (resid 32 and name HB# ) 3.8 0.86 0.5 ! 9930 0.9 0.5 0.5 2 15N assign (resid 99 and name HN ) (resid 32 and name CZ ) 4.41 1.28 2.1 ! 5960 2.1 1.4 1 15N assign (resid 23 and name HN ) (resid 97 and name HD* ) 5.39 1.06 0.5 ! 6300 1.8 0.5 1.5 3 15N assign (resid 22 and name HN ) (resid 97 and name HD* ) 6.15 1.02 0.5 ! 3140 1.8 0.5 1.5 3 15N assign (resid 15 and name HN ) (resid 112 and name CZ ) 4.99 1.21 2.1 ! 8520 2.1 2 2 15N assign (resid 111 and name HN ) (resid 13 and name HD* ) 5.98 1.03 0.5 ! 3630 1.8 0.5 1.5 3 15N assign (resid 11 and name HN ) (resid 110 and name HB ) 4.79 0.75 0.5 ! 2690 0.5 1 1 15N assign (resid 12 and name HN ) (resid 111 and name HN ) 3.78 0.9 0.6 ! 9100 0.6 1 1 15N assign (resid 13 and name HN ) (resid 112 and name HB# ) 5.53 0.82 0.5 ! 1230 0.9 0.5 0.5 2 15N assign (resid 13 and name HN ) (resid 112 and name CG ) 5.8 1.14 2.1 ! 2670 2.1 1.4 2 15N assign (resid 13 and name HN ) (resid 112 and name HA ) 3.23 0.75 0.5 ! 13200 0.5 0.5 1 15N assign (resid 13 and name HN ) (resid 113 and name HN ) 4.58 0.9 0.6 ! 3680 0.6 1 1 15N assign (resid 10 and name HN ) (resid 111 and name HN ) 4.99 0.9 0.6 ! 2480 0.6 1 1 15N assign (resid 12 and name HN ) (resid 113 and name HB1 ) 4.59 0.75 0.5 ! 3390 0.5 1 1 15N assign (resid 113 and name HN ) (resid 12 and name HA# ) 4.34 0.84 0.5 ! 4620 0.9 0.5 0.5 2 15N assign (resid 1 and name HA ) (resid 1 and name HB# ) 2.76 0.94 0.5 ! -4530000 1 0.5 1.5 3 13C assign (resid 3 and name HA ) (resid 3 and name HB2 ) 2.76 0.75 0.5 ! 1000000 0.5 1 1 13C assign (resid 3 and name HA ) (resid 3 and name HB1 ) 2.76 0.75 0.5 ! 1000000 0.5 1 1 13C assign (resid 6 and name HA ) (resid 6 and name HB ) 2.28 0.75 0.5 ! 3580000 0.5 1 1 13C assign (resid 7 and name HA ) (resid 7 and name HG* ) 3.21 1.3 0.5 ! 3560000 1.8 0.5 1.5 6 13C assign (resid 7 and name HA ) (resid 7 and name HB ) 2.94 0.75 0.5 ! 675000 0.5 1 1 13C assign (resid 8 and name HA ) (resid 8 and name HB ) 2.76 0.75 0.5 ! 1010000 0.5 1 1 13C assign (resid 8 and name HA ) (resid 8 and name HG2# ) 2.85 0.93 0.5 ! -3700000 1 0.5 1.5 3 13C assign (resid 9 and name HA ) (resid 9 and name HB1 ) 2.57 0.75 0.5 ! 1570000 0.5 1 1 13C assign (resid 9 and name HA ) (resid 9 and name HB2 ) 2.58 0.75 0.5 ! 1550000 0.5 1 1 13C assign (resid 9 and name HA ) (resid 9 and name HD# ) 3.5 0.87 0.5 ! 470000 0.9 0.5 1 2 13C assign (resid 10 and name HA ) (resid 10 and name HB# ) 2.8 0.9 0.5 ! 1830000 0.9 0.5 1 2 13C assign (resid 15 and name HA ) (resid 15 and name HB1 ) 2.97 0.75 0.5 ! 638000 0.5 1 1 13C assign (resid 15 and name HA ) (resid 15 and name HB2 ) 2.99 0.75 0.5 ! 605000 0.5 1 1 13C assign (resid 18 and name HA ) (resid 18 and name HG2# ) 3.35 0.9 0.5 ! 1370000 1 0.5 1.5 3 13C assign (resid 18 and name HA ) (resid 18 and name HG1# ) 3.44 0.9 0.5 ! 1170000 1 0.5 1.5 3 13C assign (resid 18 and name HA ) (resid 18 and name HB ) 3.23 0.75 0.5 ! 375000 0.5 1 1 13C assign (resid 26 and name HA ) (resid 26 and name HD* ) 3.45 1.26 0.5 ! 2310000 1.8 0.5 1.5 6 13C assign (resid 32 and name HA ) (resid 32 and name HB# ) 3.66 0.86 0.5 ! 360000 0.9 0.5 1 2 13C assign (resid 33 and name HA ) (resid 33 and name HB1 ) 3.41 0.75 0.5 ! 271000 0.5 1 1 13C assign (resid 33 and name HA ) (resid 33 and name HB2 ) 3.48 0.75 0.5 ! 241000 0.5 1 1 13C assign (resid 39 and name HA ) (resid 39 and name HB# ) 3.36 0.87 0.5 ! 597000 0.9 0.5 1 2 13C assign (resid 39 and name HB# ) (resid 39 and name HE3 ) 3.93 0.85 0.5 ! -240000 0.9 0.5 1 2 13C assign (resid 39 and name HB1 ) (resid 39 and name HD1 ) 3.6 0.75 0.5 ! -200000 0.5 1 1 13C assign (resid 39 and name HB2 ) (resid 39 and name HD1 ) 3.6 0.75 0.5 ! -200000 0.5 1 1 13C assign (resid 40 and name HA ) (resid 40 and name HG2# ) 3.47 0.9 0.5 ! 1100000 1 0.5 1.5 3 13C assign (resid 40 and name HA ) (resid 40 and name HB ) 2.82 0.75 0.5 ! 875000 0.5 1 1 13C assign (resid 40 and name HA ) (resid 40 and name HG1# ) 3.85 0.88 0.5 ! 601000 1 0.5 1.5 3 13C assign (resid 40 and name HA ) (resid 40 and name HB ) 3.08 0.75 0.5 ! -504000 0.5 1 1 13C assign (resid 41 and name HA ) (resid 41 and name HB# ) 3.46 0.87 0.5 ! 505000 0.9 0.5 1 2 13C assign (resid 45 and name HA ) (resid 45 and name HD1# ) 3.51 0.9 0.5 ! 1030000 1 0.5 1.5 3 13C assign (resid 45 and name HA ) (resid 45 and name HD2# ) 4.19 0.87 0.5 ! 373000 1 0.5 1.5 3 13C assign (resid 51 and name HA ) (resid 51 and name HB2 ) 2.78 0.75 0.5 ! 961000 0.5 1 1 13C assign (resid 51 and name HA ) (resid 51 and name HB1 ) 2.84 0.75 0.5 ! 843000 0.5 1 1 13C assign (resid 54 and name HA ) (resid 54 and name HB# ) 2.52 0.92 0.5 ! 3620000 0.9 0.5 1 2 13C assign (resid 56 and name HA ) (resid 56 and name HG2# ) 3.33 0.9 0.5 ! 1430000 1 0.5 1.5 3 13C assign (resid 56 and name HA ) (resid 56 and name HB ) 2.77 0.75 0.5 ! 970000 0.5 1 1 13C assign (resid 56 and name HA ) (resid 56 and name HB ) 2.8 0.75 0.5 ! 910000 0.5 1 1 13C assign (resid 58 and name HA ) (resid 58 and name HB1 ) 2.51 0.75 0.5 ! 1860000 0.5 1 1 13C assign (resid 58 and name HA ) (resid 58 and name HB2 ) 2.53 0.75 0.5 ! 1740000 0.5 1 1 13C assign (resid 60 and name HA ) (resid 60 and name HB2 ) 2.49 0.75 0.5 ! 1950000 0.5 1 1 13C assign (resid 60 and name HA ) (resid 60 and name HB1 ) 2.54 0.75 0.5 ! 1710000 0.5 1 1 13C assign (resid 62 and name HA ) (resid 62 and name HB# ) 2.54 0.91 0.5 ! 3390000 0.9 0.5 1 2 13C assign (resid 64 and name HA ) (resid 64 and name HB# ) 2.48 0.92 0.5 ! 4000000 0.9 0.5 1 2 13C assign (resid 65 and name HA ) (resid 65 and name HB ) 2.27 0.75 0.5 ! 3610000 0.5 1 1 13C assign (resid 65 and name HA ) (resid 65 and name HG2# ) 3.13 0.91 0.5 ! 2070000 1 0.5 1.5 3 13C assign (resid 66 and name HA ) (resid 66 and name HB# ) 2.61 0.91 0.5 ! 2840000 0.9 0.5 1 2 13C assign (resid 68 and name HA ) (resid 68 and name HB ) 2.8 0.75 0.5 ! 921000 0.5 1 1 13C assign (resid 68 and name HA ) (resid 68 and name HG2# ) 2.91 0.93 0.5 ! -3250000 1 0.5 1.5 3 13C assign (resid 69 and name HA ) (resid 69 and name HB ) 3.07 0.75 0.5 ! 521000 0.5 1 1 13C assign (resid 72 and name HA ) (resid 72 and name HB# ) 2.67 0.91 0.5 ! 2480000 0.9 0.5 1 2 13C assign (resid 73 and name HA ) (resid 73 and name HB# ) 3.01 0.89 0.5 ! 1170000 0.9 0.5 1 2 13C assign (resid 73 and name HA ) (resid 73 and name HD1 ) 3.25 0.75 0.5 ! 366000 0.5 1 1 13C assign (resid 77 and name HA ) (resid 77 and name HD* ) 3.26 1.29 0.5 ! 1610000 1.8 0.5 1.5 3 13C assign (resid 77 and name HA ) (resid 77 and name HG ) 2.88 0.75 0.5 ! 769000 0.5 1 1 13C assign (resid 77 and name HA ) (resid 77 and name HB# ) 3.48 0.87 0.5 ! 482000 0.9 0.5 1 2 13C assign (resid 78 and name HA ) (resid 78 and name HB2 ) 3.13 0.75 0.5 ! 461000 0.5 1 1 13C assign (resid 78 and name HA ) (resid 78 and name HB1 ) 3.31 0.75 0.5 ! 328000 0.5 1 1 13C assign (resid 79 and name HA ) (resid 79 and name HB2 ) 2.88 0.75 0.5 ! 761000 0.5 1 1 13C assign (resid 79 and name HA ) (resid 79 and name HB1 ) 2.97 0.75 0.5 ! 629000 0.5 1 1 13C assign (resid 81 and name HA ) (resid 81 and name HG2# ) 2.95 0.92 0.5 ! 2940000 1 0.5 1.5 3 13C assign (resid 83 and name HA ) (resid 83 and name HB# ) 3.36 0.87 0.5 ! 599000 0.9 0.5 1 2 13C assign (resid 83 and name HB1 ) (resid 83 and name HD1 ) 3.38 0.75 0.5 ! -288000 0.5 1 1 13C assign (resid 83 and name HB1 ) (resid 83 and name HE3 ) 3.37 0.75 0.5 ! -295000 0.5 1 1 13C assign (resid 83 and name HB2 ) (resid 83 and name HE3 ) 3.37 0.75 0.5 ! -294000 0.5 1 1 13C assign (resid 83 and name HB2 ) (resid 83 and name HD1 ) 3.34 0.75 0.5 ! -309000 0.5 1 1 13C assign (resid 85 and name HA ) (resid 85 and name HB ) 2.72 0.75 0.5 ! 1110000 0.5 1 1 13C assign (resid 85 and name HA ) (resid 85 and name HG2# ) 2.82 0.93 0.5 ! -3900000 1 0.5 1.5 3 13C assign (resid 86 and name HA ) (resid 86 and name HG2# ) 3.34 0.9 0.5 ! 1390000 1 0.5 1.5 3 13C assign (resid 86 and name HA ) (resid 86 and name HG1# ) 3.53 0.89 0.5 ! 1010000 1 0.5 1.5 3 13C assign (resid 87 and name HA ) (resid 87 and name HB# ) 3.63 0.86 0.5 ! 380000 0.9 0.5 1 2 13C assign (resid 89 and name HA ) (resid 89 and name HB ) 2.32 0.75 0.5 ! 3170000 0.5 1 1 13C assign (resid 89 and name HA ) (resid 89 and name HG2# ) 2.87 0.93 0.5 ! -3540000 1 0.5 1.5 3 13C assign (resid 90 and name HA ) (resid 90 and name HB ) 2.21 0.75 0.5 ! 4430000 0.5 1 1 13C assign (resid 90 and name HA ) (resid 90 and name HG2# ) 2.64 0.95 0.5 ! -6030000 1 0.5 1.5 3 13C assign (resid 95 and name HA ) (resid 95 and name HB ) 3.54 0.75 0.5 ! 220000 0.5 1 1 13C assign (resid 97 and name HA ) (resid 97 and name HB# ) 3.05 0.89 0.5 ! 1080000 0.9 0.5 1 2 13C assign (resid 97 and name HA ) (resid 97 and name HD* ) 4.63 1.11 0.5 ! 432000 1.8 0.5 1.5 6 13C assign (resid 98 and name HA ) (resid 98 and name HB# ) 3 0.89 0.5 ! 1180000 0.9 0.5 1 2 13C assign (resid 103 and name HA ) (resid 103 and name HB1 ) 2.55 0.75 0.5 ! 1660000 0.5 1 1 13C assign (resid 103 and name HA ) (resid 103 and name HB2 ) 2.61 0.75 0.5 ! 1420000 0.5 1 1 13C assign (resid 108 and name HA ) (resid 108 and name HG1# ) 3.14 0.91 0.5 ! 2020000 1 0.5 1.5 3 13C assign (resid 108 and name HA ) (resid 108 and name HG2# ) 3.22 0.91 0.5 ! 1750000 1 0.5 1.5 3 13C assign (resid 108 and name HA ) (resid 108 and name HB ) 3 0.75 0.5 ! 589000 0.5 1 1 13C assign (resid 110 and name HA ) (resid 110 and name HG2# ) 3.06 0.92 0.5 ! -2360000 1 0.5 1.5 3 13C assign (resid 112 and name HA ) (resid 112 and name HB# ) 3.49 0.87 0.5 ! 480000 0.9 0.5 1 2 13C assign (resid 2 and name HA ) (resid 3 and name HD2 ) 2.46 0.75 0.5 ! 2130000 0.5 1 1 13C assign (resid 2 and name HA ) (resid 3 and name HD1 ) 2.43 0.75 0.5 ! 2280000 0.5 1 1 13C assign (resid 8 and name HA ) (resid 9 and name HA ) 2.25 0.75 0.5 ! 1910000 0.5 0.5 1 13C assign (resid 9 and name HD# ) (resid 8 and name HG2# ) 4.03 0.98 0.5 ! 931000 0.9 1 0.5 1.5 6 13C assign (resid 39 and name HA ) (resid 40 and name HG* ) 4.84 1.1 0.5 ! 339000 1.8 0.5 1.5 6 13C assign (resid 72 and name HA ) (resid 73 and name CG ) 4.18 1.32 2.1 ! 236000 2.1 1.4 2 13C assign (resid 104 and name HA2 ) (resid 105 and name HD# ) 3.99 1 0.5 ! 220000 0.9 0.5 1 2 13C assign (resid 104 and name HA1 ) (resid 105 and name HD# ) 3.86 1 0.5 ! 265000 0.9 0.5 1 2 13C assign (resid 23 and name HA2 ) (resid 26 and name HD2# ) 3.42 0.9 0.5 ! -1210000 1 0.5 1.5 3 13C assign (resid 23 and name HA2 ) (resid 26 and name HD1# ) 3.93 0.88 0.5 ! -540000 1 0.5 1.5 3 13C assign (resid 23 and name HA1 ) (resid 26 and name HD2# ) 4.22 0.87 0.5 ! -357000 1 0.5 1.5 3 13C assign (resid 23 and name HA1 ) (resid 26 and name HD1# ) 3.83 0.88 0.5 ! -621000 1 0.5 1.5 3 13C assign (resid 86 and name HG2# ) (resid 83 and name HE3 ) 3.72 0.89 0.5 ! -737000 1 0.5 1.5 3 13C assign (resid 86 and name HG1# ) (resid 83 and name HE3 ) 4.54 0.86 0.5 ! -240000 1 0.5 1.5 3 13C assign (resid 57 and name HA ) (resid 61 and name HA2 ) 2.15 0.75 0.5 ! 385000 0.5 1 1 13C assign (resid 57 and name HA ) (resid 61 and name HA1 ) 1.9 0.75 0.5 ! 928000 0.5 1 1 13C assign (resid 26 and name HD* ) (resid 32 and name CZ ) 4.39 1.67 2.1 ! -1070000 1.8 2.1 1.4 12 13C assign (resid 39 and name HA ) (resid 45 and name HD2# ) 5.67 0.84 0.5 ! 73000 1 0.5 1.5 3 13C assign (resid 39 and name HA ) (resid 45 and name HD1# ) 4.16 0.87 0.5 ! 388000 1 0.5 1.5 3 13C assign (resid 40 and name HG* ) (resid 46 and name HB# ) 4.64 1.22 0.5 ! -847000 1.8 1 0.5 1.5 12 13C assign (resid 45 and name HD1# ) (resid 39 and name HD1 ) 4 0.88 0.5 ! -484000 1 0.5 1.5 3 13C assign (resid 45 and name HA ) (resid 39 and name HA ) 2.71 0.75 0.5 ! 570000 0.5 0.5 1 13C assign (resid 45 and name HD2# ) (resid 39 and name HD1 ) 4.57 0.86 0.5 ! -231000 1 0.5 1.5 3 13C assign (resid 82 and name HA ) (resid 76 and name CG ) 4.04 1.34 2.1 ! 284000 2.1 1.4 2 13C assign (resid 82 and name HA ) (resid 76 and name HA ) 2.88 0.75 0.5 ! 383000 0.5 0.5 1 13C assign (resid 98 and name HA ) (resid 104 and name HA# ) 3.77 0.86 0.5 ! 152000 0.9 0.5 0.5 2 13C assign (resid 37 and name HB1 ) (resid 45 and name HD1# ) 3.73 0.89 0.5 ! -730000 1 0.5 1.5 3 13C assign (resid 37 and name HB1 ) (resid 45 and name HD2# ) 4.45 0.86 0.5 ! -268000 1 0.5 1.5 3 13C assign (resid 37 and name HB2 ) (resid 45 and name HD2# ) 4.44 0.86 0.5 ! -271000 1 0.5 1.5 3 13C assign (resid 37 and name HB2 ) (resid 45 and name HD1# ) 3.76 0.89 0.5 ! -695000 1 0.5 1.5 3 13C assign (resid 19 and name HA ) (resid 9 and name HD2 ) 2.89 0.75 0.5 ! 752000 0.5 1 1 13C assign (resid 19 and name HA ) (resid 9 and name HD1 ) 2.9 0.75 0.5 ! 729000 0.5 1 1 13C assign (resid 86 and name HB ) (resid 73 and name CZ ) 3.89 1.37 2.1 ! 355000 2.1 1.4 2 13C assign (resid 86 and name HB ) (resid 73 and name CG ) 4.22 1.31 2.1 ! 224000 2.1 1.4 2 13C assign (resid 21 and name HA ) (resid 7 and name HB ) 3.44 0.75 0.5 ! -261000 0.5 1 1 13C assign (resid 21 and name HA ) (resid 7 and name HA ) 2.32 0.75 0.5 ! 1550000 0.5 0.5 1 13C assign (resid 87 and name HA ) (resid 72 and name HA ) 2.66 0.75 0.5 ! 632000 0.5 0.5 1 13C assign (resid 94 and name HA ) (resid 109 and name HA ) 2.99 0.75 0.5 ! 304000 0.5 0.5 1 13C assign (resid 109 and name HA ) (resid 94 and name HA ) 2.8 0.75 0.5 ! 454000 0.5 0.5 1 13C assign (resid 35 and name HA# ) (resid 52 and name CG ) 5.47 1.24 2.1 ! 109000 0.9 2.1 0.5 1.4 4 13C assign (resid 5 and name HA ) (resid 23 and name HA1 ) 3.1 0.75 0.6 ! 487000 0.5 1 1 13C assign (resid 5 and name HA ) (resid 23 and name HA2 ) 2.96 0.75 0.6 ! 653000 0.5 1 1 13C assign (resid 23 and name HA# ) (resid 5 and name HB# ) 4.59 0.95 0.5 ! 421000 0.9 1 0.5 1.4 6 13C assign (resid 54 and name HA ) (resid 33 and name HA ) 2.47 0.75 0.5 ! 1020000 0.5 0.5 1 13C assign (resid 3 and name HA ) (resid 25 and name HA1 ) 2.23 0.75 0.6 ! 4070000 0.5 1 1 13C assign (resid 3 and name HA ) (resid 25 and name HA2 ) 2.6 0.75 0.6 ! 1490000 0.5 1 1 13C assign (resid 3 and name HA ) (resid 26 and name HD* ) 4.47 1.13 0.5 ! -486000 1.8 0.5 1.4 6 13C assign (resid 48 and name HB# ) (resid 73 and name CG ) 4.89 1.31 2.1 ! 199000 0.9 2.1 0.5 1.4 4 13C assign (resid 28 and name HA ) (resid 61 and name HA1 ) 2.53 0.75 0.5 ! 882000 0.5 0.5 1 13C assign (resid 28 and name HA ) (resid 61 and name HA2 ) 3.11 0.75 0.5 ! 238000 0.5 0.5 1 13C assign (resid 61 and name HA# ) (resid 26 and name HD* ) 4.75 1.19 0.5 ! -699000 0.9 1.8 0.5 1.4 12 13C assign (resid 62 and name HA ) (resid 26 and name HD* ) 4.29 1.15 0.5 ! 608000 1.8 0.5 1.4 6 13C assign (resid 26 and name HD1# ) (resid 63 and name HB# ) 3.53 1.04 0.5 ! -2810000 1 1 0.5 1.4 9 13C assign (resid 62 and name HA ) (resid 24 and name HA ) 2.3 0.75 0.5 ! 1650000 0.5 0.5 1 13C assign (resid 64 and name HA ) (resid 22 and name HA ) 2.27 0.75 0.5 ! 1840000 0.5 0.5 1 13C assign (resid 66 and name HA ) (resid 20 and name HA ) 2.3 0.75 0.5 ! 1660000 0.5 0.5 1 13C assign (resid 70 and name HA ) (resid 15 and name HA ) 2.82 0.75 0.5 ! 442000 0.5 0.5 1 13C assign (resid 36 and name HA ) (resid 95 and name HA ) 3.21 0.75 0.5 ! 195000 0.5 0.5 1 13C assign (resid 97 and name HA ) (resid 34 and name HA ) 2.83 0.75 0.5 ! 428000 0.5 0.5 1 13C assign (resid 97 and name HD* ) (resid 32 and name CG ) 4.12 1.74 2.1 ! -771000 1.8 2.1 0.5 1.4 6 13C assign (resid 26 and name HD* ) (resid 97 and name HD* ) 5.24 1.39 0.5 ! -1320000 1.8 1.8 0.5 1.5 36 13C assign (resid 23 and name HA1 ) (resid 97 and name HD1# ) 4.5 0.86 0.5 ! -251000 1 0.5 1.5 3 13C assign (resid 23 and name HA2 ) (resid 97 and name HD2# ) 3.35 0.9 0.5 ! -1360000 1 0.5 1.5 3 13C assign (resid 23 and name HA1 ) (resid 97 and name HD2# ) 4.07 0.87 0.5 ! -442000 1 0.5 1.5 3 13C assign (resid 23 and name HA2 ) (resid 97 and name HD1# ) 3.37 0.9 0.5 ! -1310000 1 0.5 1.5 3 13C assign (resid 26 and name HD2# ) (resid 105 and name HB2 ) 4.11 1.17 0.5 ! -419000 1.8 0.5 1.5 3 13C assign (resid 26 and name HD2# ) (resid 105 and name HB1 ) 3.82 1.2 0.5 ! -633000 1.8 0.5 1.5 3 13C assign (resid 14 and name HA ) (resid 112 and name CG ) 3.49 1.45 2.1 ! 663000 2.1 0.5 1.4 2 13C assign (resid 10 and name HA ) (resid 110 and name HG2# ) 3.39 0.9 0.5 ! -1280000 1 0.5 1.5 3 13C assign (resid 110 and name HA ) (resid 10 and name HB# ) 3.43 0.87 0.5 ! 531000 0.9 0.5 1 2 13C assign (resid 110 and name HA ) (resid 10 and name HA ) 2.79 0.75 0.5 ! 468000 0.5 0.5 1 13C assign (resid 8 and name HN ) (resid 7 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 19 and name HN ) (resid 18 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 20 and name HN ) (resid 19 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 20 and name HN ) (resid 19 and name HB# ) 2.4 0.3 0.3 ! 0.9 0.3 H assign (resid 21 and name HN ) (resid 20 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 22 and name HN ) (resid 21 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 31 and name HN ) (resid 30 and name HG2# ) 5 0.5 1 ! 1 1 H assign (resid 33 and name HN ) (resid 32 and name CG ) 5 0.86 2.1 ! 2.1 1 H assign (resid 35 and name HN ) (resid 34 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 36 and name HN ) (resid 37 and name HN ) 3.5 0.5 0.5 ! 0.5 H assign (resid 42 and name HN ) (resid 41 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 48 and name HA ) (resid 49 and name HD# ) 2.4 0.3 0.3 ! S 0.3 H assign (resid 50 and name HN ) (resid 49 and name HA ) 3.5 0.3 0.5 ! M 0.3 H assign (resid 56 and name HN ) (resid 55 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 57 and name HN ) (resid 56 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 66 and name HN ) (resid 65 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 68 and name HN ) (resid 67 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 80 and name HN ) (resid 79 and name HA ) 3.5 0.5 0.5 ! M 0.3 H assign (resid 88 and name HN ) (resid 87 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 93 and name HN ) (resid 92 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 94 and name HN ) (resid 93 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 99 and name HN ) (resid 98 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 100 and name HN ) (resid 99 and name HA ) 3.5 0.5 0.5 ! 0.5 H assign (resid 113 and name HN ) (resid 112 and name HA ) 2.4 0.3 0.3 ! 0.3 H assign (resid 40 and name HN ) (resid 45 and name HA ) 3.5 0.5 0.5 ! 0.5 H assign (resid 47 and name HB# ) (resid 52 and name CZ ) 3 1.4 3 ! S,m,m 0.9 2.1 H assign (resid 32 and name CG ) (resid 26 and name HD* ) 4 1.42 3.9 ! M,m,m 1.8 2.1 H assign (resid 32 and name CZ ) (resid 26 and name HD* ) 5 1.2 3.9 ! 1.8 2.1 1 H assign (resid 39 and name HH2 ) (resid 45 and name HD* ) 4.4 0.79 1.8 ! W,q 1.8 H assign (resid 39 and name HZ2 ) (resid 45 and name HD* ) 3.5 0.9 1.8 ! M,q 1.8 H assign (resid 46 and name HB# ) (resid 40 and name HG* ) 5 0.82 2.7 ! 0.9 1.8 1 H assign (resid 38 and name HN ) (resid 46 and name HN ) 3 0.5 0.5 ! 0.5 H assign (resid 38 and name HN ) (resid 47 and name HA ) 3 0.4 0.5 ! M 0.5 H assign (resid 47 and name HA ) (resid 37 and name HA ) 2.4 0.4 0.3 ! 0.3 H assign (resid 74 and name HA ) (resid 85 and name HA ) 2.4 0.4 0.3 ! 0.5 H assign (resid 86 and name HG1# ) (resid 73 and name CZ ) 2.6 1.67 3.1 ! S,m,r 1 2.1 H assign (resid 86 and name HG2# ) (resid 73 and name CZ ) 2.6 1.67 3.1 ! S,m,r 1 2.1 H assign (resid 95 and name HN ) (resid 108 and name HN ) 3 0.5 0.5 ! 0.5 H assign (resid 21 and name HG* ) (resid 7 and name HG* ) 5 1.07 3.6 ! 1.8 1.8 1 H assign (resid 36 and name HN ) (resid 52 and name HA ) 4.4 1 1 ! W 1 H assign (resid 110 and name HN ) (resid 94 and name HA ) 3.5 1 0.5 ! M 0.5 H assign (resid 35 and name HA# ) (resid 52 and name HA ) 3.5 0.52 0.9 ! M,m 0.9 H assign (resid 93 and name HB# ) (resid 112 and name CZ ) 4.4 1.03 3 ! M,m,q 0.9 2.1 H assign (resid 93 and name HB# ) (resid 73 and name CZ ) 4.4 1.03 3 ! W,m,m 0.9 2.1 H assign (resid 88 and name HB# ) (resid 112 and name CZ ) 3.5 1 3 ! M,m,m 0.9 2.1 H assign (resid 31 and name HA ) (resid 56 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 48 and name HB# ) (resid 73 and name CZ ) 5 0.94 3 ! 0.9 2.1 1 H assign (resid 57 and name HN ) (resid 32 and name CG ) 3.5 1.1 3.1 ! M,r 2.1 1 H assign (resid 30 and name HN ) (resid 57 and name HN ) 3.5 1 0.5 ! M 0.5 H assign (resid 47 and name HN ) (resid 75 and name HA# ) 5 1 1 ! 0.5 H assign (resid 47 and name HN ) (resid 76 and name HN ) 3.5 1 0.5 ! M 0.5 H assign (resid 76 and name HN ) (resid 46 and name HA ) 4.4 1 1 ! W 1 H assign (resid 38 and name HN ) (resid 73 and name CZ ) 5 0.86 2.1 ! 2.1 1 H assign (resid 63 and name HB# ) (resid 26 and name HD* ) 5 0.82 2.7 ! 0.9 1.8 1 H assign (resid 63 and name HN ) (resid 24 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 83 and name HZ2 ) (resid 44 and name HG1# ) 5 0.5 1 ! 1 1 H assign (resid 83 and name HD1 ) (resid 44 and name HG1# ) 3.5 0.55 1 ! M,m 1 H assign (resid 83 and name HZ2 ) (resid 44 and name HG1# ) 4.4 0.52 1 ! W,m 1 H assign (resid 65 and name HN ) (resid 22 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 67 and name HN ) (resid 20 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 17 and name HN ) (resid 69 and name HN ) 3.5 0.5 0.5 ! 0.5 H assign (resid 38 and name HA ) (resid 93 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 94 and name HN ) (resid 38 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 37 and name HN ) (resid 95 and name HA ) 3 1 0.5 ! M 0.5 H assign (resid 98 and name HN ) (resid 34 and name HA ) 4 0.5 0.5 ! 0.5 H assign (resid 97 and name HB# ) (resid 32 and name CG ) 5 0.94 3 ! 0.9 2.1 1 H assign (resid 98 and name HN ) (resid 32 and name CG ) 3.5 1.1 2.1 ! M,r 2.1 H assign (resid 99 and name HN ) (resid 32 and name CG ) 3.5 1.1 2.1 ! M,r 2.1 H assign (resid 99 and name HN ) (resid 32 and name CZ ) 5 0.86 2.1 ! 2.1 1 H assign (resid 105 and name HD2 ) (resid 26 and name HD1# ) 5 0.5 1 ! 1 1 H assign (resid 105 and name HD1 ) (resid 26 and name HD2# ) 5 0.5 1 ! 1 1 H assign (resid 105 and name HD# ) (resid 26 and name HD* ) 3.5 1.04 2.8 ! M,q,m 1 1.8 H assign (resid 105 and name HD1 ) (resid 26 and name HD1# ) 5 0.5 1 ! 1 1 H assign (resid 105 and name HD2 ) (resid 26 and name HD2# ) 5 0.5 1 ! 1 1 H assign (resid 10 and name HA ) (resid 110 and name HA ) 3.5 0.5 0.5 ! 0.5 H assign (resid 12 and name HN ) (resid 112 and name HA ) 3.5 0.5 0.5 ! 0.5 H assign (resid 111 and name HN ) (resid 11 and name HA ) 2.4 0.3 0.3 ! S 0.5 H assign (resid 17 and name HN ) (resid 15 and name HA ) 4.4 1 0.5 ! W 0.5 H assign (resid 20 and name HN ) (resid 9 and name HD# ) 4.4 1 0.9 ! W,m 0.9 H assign (resid 36 and name HN ) (resid 48 and name HB# ) 4.4 1 0.9 ! W,m 0.9 H assign (resid 88 and name HN ) (resid 72 and name HB# ) 3.5 1 0.9 ! M,m 0.9 H assign (resid 24 and name HN ) (resid 4 and name HG2# ) 5 1 1 ! W,m 1 H assign (resid 24 and name HN ) (resid 4 and name HB ) 4.4 1 1 ! W 1 H assign (resid 32 and name HN ) (resid 57 and name HN ) 3.5 1 0.5 ! M 0.5 H assign (resid 37 and name HN ) (resid 94 and name HN ) 3.5 1 0.5 ! M 0.5 H assign (resid 36 and name HE2# ) (resid 69 and name HG* ) 3.5 1 1.8 ! M,q 1.8 H assign (resid 36 and name HE2# ) (resid 73 and name CZ ) 2.6 0.5 1.8 ! S,m,r 1.8 H assign (resid 36 and name HE2# ) (resid 93 and name HB# ) 3.5 1 1.8 ! M,m,m 0.9 0.9 H assign (resid 33 and name HB# ) (resid 114 and name C78 ) 3.8 0.4 0.4 ! 0.9 1 H assign (resid 33 and name HN ) (resid 114 and name C78 ) 6 1 1 ! 1 H assign (resid 34 and name HN ) (resid 114 and name C78 ) 4.4 0.5 0.5 ! 3000 1 H assign (resid 35 and name HN ) (resid 114 and name C78 ) 4.4 0.5 0.5 ! 1 H assign (resid 35 and name HA# ) (resid 114 and name C78 ) 4.4 0.5 0.5 ! 0.9 1 H assign (resid 35 and name HN ) (resid 114 and name H14 ) 3 0.4 0.4 ! H assign (resid 36 and name HA ) (resid 114 and name C15 ) 5 1 1 ! 164000 1 H assign (resid 36 and name HA ) (resid 114 and name H14 ) 3.8 0.4 0.4 ! H assign (resid 37 and name HN ) (resid 114 and name H14 ) 3.8 0.4 0.4 ! H assign (resid 37 and name HB# ) (resid 114 and name H14 ) 4.4 0.5 0.5 ! H assign (resid 39 and name HZ3 ) (resid 114 and name C15 ) 5 1 1 ! 1 H assign (resid 39 and name HZ2 ) (resid 114 and name C64 ) 3.8 0.4 0.4 ! H assign (resid 39 and name HZ3 ) (resid 114 and name H7 ) 3.8 0.4 0.4 ! H assign (resid 39 and name HZ2 ) (resid 114 and name H7 ) 3.8 0.4 0.4 ! H assign (resid 39 and name HH2 ) (resid 114 and name H8 ) 2.4 0.4 0.3 ! H assign (resid 39 and name HZ3 ) (resid 114 and name H8 ) 4.4 0.5 0.5 ! H assign (resid 45 and name HD1# ) (resid 114 and name C15 ) 5 1 1 ! -508000 1 1 H assign (resid 45 and name HD2# ) (resid 114 and name C15 ) 5 1 1 ! -188000 1 1 H assign (resid 45 and name HD* ) (resid 114 and name C64 ) 3.8 0.4 0.4 ! 1.8 1 H assign (resid 45 and name HB# ) (resid 114 and name H33 ) 3 0.4 0.4 ! 0.9 H assign (resid 45 and name HD* ) (resid 114 and name H33 ) 3 0.4 0.4 ! 1.8 H assign (resid 45 and name HN ) (resid 114 and name H33 ) 4.4 0.5 0.5 ! H assign (resid 45 and name HD* ) (resid 114 and name H50 ) 3.8 0.4 0.4 ! 1.8 H assign (resid 45 and name HD* ) (resid 114 and name H57 ) 6 1 1 ! 1.8 H assign (resid 45 and name HD* ) (resid 114 and name H65 ) 3.8 0.4 0.4 ! 1.8 H assign (resid 45 and name HD* ) (resid 114 and name H7 ) 5 1 1 ! 1.8 H assign (resid 45 and name HD* ) (resid 114 and name H8 ) 5 1 1 ! 1.8 H assign (resid 52 and name HZ ) (resid 114 and name C78 ) 3.8 0.4 0.4 ! 1 H assign (resid 52 and name CG ) (resid 114 and name C78 ) 4.4 0.5 0.5 ! 2.1 1 H assign (resid 52 and name CZ ) (resid 114 and name C78 ) 3.8 0.4 0.4 ! 2.1 1 H assign (resid 52 and name CZ ) (resid 114 and name H48 ) 5 1 1 ! 2.1 H assign (resid 76 and name HB# ) (resid 114 and name H39 ) 3.8 0.4 0.4 ! 0.9 H assign (resid 76 and name HN ) (resid 114 and name H39 ) 5 1 1 ! H assign (resid 76 and name CG ) (resid 114 and name H39 ) 4.4 0.5 0.5 ! 2.1 H assign (resid 77 and name HN ) (resid 114 and name H39 ) 3.8 0.4 0.4 ! H assign (resid 78 and name CZ ) (resid 114 and name C71 ) 4.4 0.5 0.5 ! 2.1 1 H assign (resid 78 and name HN ) (resid 114 and name H33 ) 3.8 0.4 0.4 ! H assign (resid 78 and name HA ) (resid 114 and name H33 ) 4.4 0.5 0.5 ! H assign (resid 78 and name CB ) (resid 114 and name H33 ) 3.8 0.4 0.4 ! 0.9 H assign (resid 78 and name CG ) (resid 114 and name H33 ) 4.4 0.5 0.5 ! 2.1 H assign (resid 78 and name HA ) (resid 114 and name H39 ) 3 0.4 0.4 ! H assign (resid 78 and name HN ) (resid 114 and name H39 ) 4.4 0.5 0.5 ! H assign (resid 78 and name CG ) (resid 114 and name H61 ) 3 0.4 0.4 ! 2.1 H assign (resid 78 and name CZ ) (resid 114 and name H61 ) 3.8 0.4 0.4 ! 2.1 H assign (resid 94 and name HB# ) (resid 114 and name C15 ) 5 1 1 ! -492000 0.9 1 H assign (resid 94 and name HN ) (resid 114 and name C15 ) 5 1 1 ! 1 1 H assign (resid 94 and name HB# ) (resid 114 and name H7 ) 5 1 1 ! 0.9 H assign (resid 95 and name HA ) (resid 114 and name C15 ) 4.4 0.5 0.5 ! -269000 1 H assign (resid 95 and name HA ) (resid 114 and name H14 ) 4.4 0.5 0.5 ! H assign (resid 96 and name HN ) (resid 114 and name C15 ) 3 0.4 0.4 ! 13900 1 H assign (resid 96 and name HA1 ) (resid 114 and name C15 ) 3 0.4 0.4 ! 242000 1 0 H assign (resid 96 and name HA2 ) (resid 114 and name C15 ) 4.4 0.5 0.5 ! 210000 1 0 H assign (resid 96 and name HN ) (resid 114 and name H14 ) 3 0.4 0.4 ! H assign (resid 96 and name HA# ) (resid 114 and name H14 ) 4.4 0.5 0.5 ! 0.9 H assign (resid 96 and name HA# ) (resid 114 and name H7 ) 5 1 1 ! 120000 0.9 0 H assign (resid 97 and name HN ) (resid 114 and name C15 ) 5 1 1 ! 3470 1 H assign (resid 97 and name HA ) (resid 114 and name C78 ) 5 1 1 ! 1 H assign (resid 98 and name HB# ) (resid 114 and name C78 ) 4.4 0.5 0.5 ! 0.9 1 H assign (resid 98 and name HN ) (resid 114 and name C78 ) 5 1 1 ! 1 H assign (resid 98 and name HB# ) (resid 114 and name H13 ) 3 0.4 0.4 ! 0.9 H assign (resid 98 and name HN ) (resid 114 and name H13 ) 5 1 1 ! H assign (resid 98 and name HA ) (resid 114 and name H13 ) 4.4 0.5 0.5 ! H assign (resid 98 and name HB# ) (resid 114 and name H76 ) 5 1 1 ! 0.9 H assign (resid 100 and name HA ) (resid 114 and name C71 ) 4.4 0.5 0.5 ! 1 H assign (resid 101 and name HN ) (resid 114 and name C71 ) 4.4 0.5 0.5 ! 1710 1 H assign (resid 102 and name HN ) (resid 114 and name C71 ) 3 0.4 0.4 ! 1 H assign (resid 102 and name HA# ) (resid 114 and name C71 ) 3 0.9 0.4 ! 0.9 1 H assign (resid 102 and name HA# ) (resid 114 and name H57 ) 4.4 0.5 0.5 ! 0.9 H assign (resid 107 and name HA1 ) (resid 114 and name C15 ) 3.8 0.4 0.4 ! 396000 1 1 H assign (resid 107 and name HA2 ) (resid 114 and name C15 ) 4.4 0.5 0.5 ! 379000 1 1 H assign (resid 107 and name HN ) (resid 114 and name H7 ) 4.4 0.5 0.5 ! H assign (resid 107 and name HA# ) (resid 114 and name H7 ) 5 1 1 ! 119000 0.9 H assign (resid 114 and name H65 ) (resid 114 and name H33 ) 3 0.4 0.4 ! H assign (resid 114 and name C64 ) (resid 114 and name H33 ) 4.4 0.5 0.5 ! 1 H assign (resid 114 and name H48 ) (resid 114 and name H39 ) 3.8 0.4 0.4 ! H assign (resid 114 and name H13 ) (resid 114 and name H50 ) 4 0.5 0.5 ! H assign (resid 114 and name H77 ) (resid 114 and name H57 ) 2.4 0.4 0.4 ! H assign (resid 114 and name C78 ) (resid 114 and name H76 ) 4.4 0.5 0.5 ! 1 H assign (resid 114 and name H13 ) (resid 114 and name H77 ) 3.8 0.4 0.4 ! H assign (resid 114 and name C78 ) (resid 114 and name H77 ) 5 1 1 ! 1 H
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