NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
2045 |
1bc4   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
remarks rncis_3.tbl final restraints (generated on 07/22/97) remarks modified from rnnew_2.tbl and add more remarks Constrants from rnsa.dis remarks VL 2.50 0.50 0.30; L 3.00 0.50 0.50; M 3.50 0.50 0.50 remarks SM 3.50 0.50 1.00; S 3.80 0.50 1.00; S 4.00 0.50 1.50 remarks Original input reference distance: 1.79 remarks Current input reference distance: 1.79 remarks Distance cut-off : 5.00 set wrnlev=0 end remarks Group 1: HNi/HNi+1 assign (resid 2 and name HN )(resid 3 and name HN ) 4.00 0.20 2.00 assign (resid 3 and name HN )(resid 4 and name HN ) 3.00 0.50 0.30 assign (resid 4 and name HN )(resid 5 and name HN ) 3.00 0.50 0.30 assign (resid 5 and name HN )(resid 6 and name HN ) 3.00 0.50 0.30 assign (resid 6 and name HN )(resid 7 and name HN ) 3.00 0.50 0.30 assign (resid 7 and name HN )(resid 8 and name HN ) 3.00 0.50 0.30 assign (resid 8 and name HN )(resid 9 and name HN ) 3.00 0.50 0.30 assign (resid 9 and name HN )(resid 10 and name HN ) 3.00 0.50 0.30 assign (resid 10 and name HN )(resid 11 and name HN ) 3.00 0.50 0.30 assign (resid 11 and name HN )(resid 12 and name HN ) 4.00 0.20 2.00 assign (resid 12 and name HN )(resid 13 and name HN ) 3.80 0.20 2.00 assign (resid 13 and name HN )(resid 14 and name HN ) 3.20 0.50 0.50 assign (resid 17 and name HN )(resid 18 and name HN ) 3.20 0.50 0.50 assign (resid 18 and name HN )(resid 19 and name HN ) 4.00 0.20 2.00 assign (resid 19 and name HN )(resid 20 and name HN ) 3.20 0.50 0.50 assign (resid 20 and name HN )(resid 21 and name HN ) 3.00 0.50 0.30 assign (resid 21 and name HN )(resid 22 and name HN ) 3.00 0.50 0.30 assign (resid 22 and name HN )(resid 23 and name HN ) 3.00 0.50 0.30 assign (resid 24 and name HN )(resid 25 and name HN ) 3.50 0.20 1.00 assign (resid 25 and name HN )(resid 26 and name HN ) 4.50 0.30 2.00 assign (resid 26 and name HN )(resid 27 and name HN ) 3.20 0.50 0.50 assign (resid 27 and name HN )(resid 28 and name HN ) 3.20 0.50 0.50 assign (resid 28 and name HN )(resid 29 and name HN ) 4.00 0.50 1.00 assign (resid 29 and name HN )(resid 30 and name HN ) 4.50 0.30 2.00 assign (resid 30 and name HN )(resid 31 and name HN ) 4.50 0.30 2.00 assign (resid 31 and name HN )(resid 32 and name HN ) 3.20 0.50 0.50 assign (resid 32 and name HN )(resid 33 and name HN ) 3.00 0.50 0.30 assign (resid 33 and name HN )(resid 34 and name HN ) 3.00 0.50 0.50 assign (resid 35 and name HN )(resid 36 and name HN ) 4.00 0.20 2.00 assign (resid 36 and name HN )(resid 37 and name HN ) 3.00 0.50 0.30 assign (resid 37 and name HN )(resid 38 and name HN ) 4.00 0.20 2.00 assign (resid 38 and name HN )(resid 39 and name HN ) 4.00 0.20 2.00 assign (resid 39 and name HN )(resid 40 and name HN ) 4.50 0.30 2.00 assign (resid 41 and name HN )(resid 42 and name HN ) 4.50 0.30 2.00 assign (resid 42 and name HN )(resid 43 and name HN ) 4.50 0.30 2.00 assign (resid 43 and name HN )(resid 44 and name HN ) 4.50 0.30 2.00 assign (resid 44 and name HN )(resid 45 and name HN ) 4.50 0.30 2.00 assign (resid 45 and name HN )(resid 46 and name HN ) 3.20 0.50 0.50 assign (resid 46 and name HN )(resid 47 and name HN ) 3.20 0.50 0.50 assign (resid 47 and name HN )(resid 48 and name HN ) 3.00 0.50 0.30 assign (resid 48 and name HN )(resid 49 and name HN ) 3.00 0.50 0.30 assign (resid 49 and name HN )(resid 50 and name HN ) 3.00 0.50 0.30 assign (resid 50 and name HN )(resid 51 and name HN ) 3.00 0.50 0.30 assign (resid 51 and name HN )(resid 52 and name HN ) 3.50 0.50 1.00 assign (resid 53 and name HN )(resid 54 and name HN ) 4.50 0.20 2.00 assign (resid 54 and name HN )(resid 55 and name HN ) 3.00 0.50 0.30 assign (resid 56 and name HN )(resid 57 and name HN ) 3.50 0.50 0.50 assign (resid 57 and name HN )(resid 58 and name HN ) 4.50 0.50 2.00 assign (resid 58 and name HN )(resid 59 and name HN ) 4.50 0.20 2.00 assign (resid 59 and name HN )(resid 60 and name HN ) 4.50 0.20 2.00 assign (resid 60 and name HN )(resid 61 and name HN ) 4.50 0.20 2.00 assign (resid 61 and name HN )(resid 62 and name HN ) 4.50 0.20 2.50 assign (resid 62 and name HN )(resid 63 and name HN ) 4.50 0.20 2.50 assign (resid 63 and name HN )(resid 64 and name HN ) 3.50 1.50 1.50 assign (resid 66 and name HN )(resid 67 and name HN ) 4.00 0.40 2.00 assign (resid 67 and name HN )(resid 68 and name HN ) 4.50 0.20 2.00 assign (resid 69 and name HN )(resid 70 and name HN ) 4.50 0.20 2.00 assign (resid 70 and name HN )(resid 71 and name HN ) 4.50 0.20 2.00 assign (resid 71 and name HN )(resid 72 and name HN ) 4.50 0.20 2.50 assign (resid 72 and name HN )(resid 73 and name HN ) 4.50 0.20 2.50 assign (resid 73 and name HN )(resid 74 and name HN ) 4.50 0.20 2.00 assign (resid 74 and name HN )(resid 75 and name HN ) 3.20 0.50 0.50 assign (resid 75 and name HN )(resid 76 and name HN ) 4.00 0.20 2.00 assign (resid 76 and name HN )(resid 77 and name HN ) 4.50 0.20 2.00 assign (resid 83 and name HN )(resid 84 and name HN ) 4.50 0.20 2.00 assign (resid 84 and name HN )(resid 85 and name HN ) 4.50 0.20 2.00 assign (resid 85 and name HN )(resid 86 and name HN ) 4.50 0.20 2.00 assign (resid 86 and name HN )(resid 87 and name HN ) 4.50 0.20 2.00 assign (resid 87 and name HN )(resid 88 and name HN ) 4.50 0.20 2.00 assign (resid 88 and name HN )(resid 89 and name HN ) 4.50 0.20 2.00 assign (resid 89 and name HN )(resid 90 and name HN ) 4.50 0.20 2.00 assign (resid 90 and name HN )(resid 91 and name HN ) 4.50 0.20 2.00 assign (resid 91 and name HN )(resid 92 and name HN ) 4.50 0.20 1.00 assign (resid 93 and name HN )(resid 94 and name HN ) 4.50 0.20 2.00 assign (resid 94 and name HN )(resid 95 and name HN ) 4.50 0.20 2.00 assign (resid 95 and name HN )(resid 96 and name HN ) 4.50 0.20 2.00 assign (resid 96 and name HN )(resid 97 and name HN ) 4.00 0.50 1.00 assign (resid 97 and name HN )(resid 98 and name HN ) 4.50 0.20 2.00 assign (resid 98 and name HN )(resid 99 and name HN ) 3.50 0.50 0.50 assign (resid 99 and name HN )(resid 100 and name HN ) 3.00 0.50 0.30 assign (resid 102 and name HN )(resid 103 and name HN ) 3.00 0.50 0.50 assign (resid 103 and name HN )(resid 104 and name HN ) 4.50 0.20 2.00 assign (resid 104 and name HN )(resid 105 and name HN ) 4.50 0.20 2.00 assign (resid 105 and name HN )(resid 106 and name HN ) 2.80 0.50 0.50 remarks Group 2: HNi/HNj assign (resid 30 and name HN )(resid 33 and name HN ) 3.50 0.50 1.00 assign (resid 38 and name HN )(resid 71 and name HN ) 3.50 0.50 1.00 assign (resid 40 and name HN )(resid 69 and name HN ) 3.50 0.50 1.00! assign (resid 40 and name HN )(resid 71 and name HN ) 4.00 0.50 1.00 assign (resid 60 and name HN )(resid 94 and name HN ) 3.50 0.50 0.50 assign (resid 60 and name HN )(resid 96 and name HN ) 4.30 0.50 1.00 assign (resid 62 and name HN )(resid 92 and name HN ) 3.50 0.50 0.50 assign (resid 68 and name HN )(resid 88 and name HN ) 3.50 0.50 1.00! assign (resid 70 and name HN )(resid 86 and name HN ) 3.50 0.50 0.50 assign (resid 71 and name HN )(resid 38 and name HN ) 3.50 0.50 1.00 assign (resid 72 and name HN )(resid 84 and name HN ) 3.50 0.50 1.00! assign (resid 90 and name HN )(resid 66 and name HN ) 3.50 0.50 1.00! assign (resid 91 and name HN )(resid 66 and name HN ) 3.50 0.50 1.00 assign (resid 91 and name HN )(resid 68 and name HN ) 4.00 0.30 1.50 assign (resid 93 and name HN )(resid 91 and name HN ) 4.50 0.50 2.50 assign (resid 93 and name HN )(resid 106 and name HN ) 3.50 0.50 1.00 assign (resid 95 and name HN )(resid 103 and name HN ) 3.50 0.50 1.00 assign (resid 96 and name HN )(resid 58 and name HN ) 3.50 0.50 0.50 assign (resid 97 and name HN )(resid 100 and name HN ) 3.00 0.50 0.50! remarks Group 3: HAi/HAj assign (resid 37 and name HA )(resid 72 and name HA ) 2.80 0.50 0.50 assign (resid 39 and name HA )(resid 70 and name HA ) 2.80 0.50 0.50 assign (resid 57 and name HA )(resid 97 and name HA ) 2.80 0.50 0.50 assign (resid 59 and name HA )(resid 95 and name HA ) 2.80 0.50 0.50 assign (resid 65 and name HA )(resid 91 and name HA ) 2.80 0.50 1.00 assign (resid 68 and name HA )(resid 41 and name HA ) 2.80 0.50 0.50 assign (resid 71 and name HA )(resid 85 and name HA ) 2.80 0.50 0.50 assign (resid 83 and name HA )(resid 73 and name HA ) 2.80 0.50 0.50 assign (resid 87 and name HA )(resid 69 and name HA ) 2.80 0.50 0.50 assign (resid 93 and name HA )(resid 61 and name HA ) 2.80 0.50 0.50 assign (resid 101 and name HA )(resid 96 and name HA ) 2.80 0.50 0.50! assign (resid 104 and name HA )(resid 94 and name HA ) 2.80 0.50 0.80! assign (resid 107 and name HA )(resid 92 and name HA ) 2.80 0.50 0.50 !assign (resid 105 and name HA )(resid 92 and name HA ) 2.80 0.50 1.50! remarks Group 4: HNi/HAj assign (resid 7 and name HN )(resid 3 and name HA ) 4.00 0.50 2.00 assign (resid 7 and name HN )(resid 5 and name HA ) 4.00 0.50 2.00 assign (resid 8 and name HN )(resid 4 and name HA ) 4.00 0.50 1.50 assign (resid 10 and name HN )(resid 6 and name HA ) 4.00 0.50 1.50 assign (resid 11 and name HN )(resid 7 and name HA ) 3.20 0.50 1.00 assign (resid 12 and name HN )(resid 42 and name HA ) 4.00 0.50 1.00 assign (resid 23 and name HN )(resid 19 and name HA ) 4.00 0.50 1.50 assign (resid 24 and name HN )(resid 21 and name HA ) 4.00 0.50 1.00 assign (resid 24 and name HN )(resid 22 and name HA ) 4.00 0.50 1.00 assign (resid 28 and name HN )(resid 26 and name HA ) 4.00 0.50 1.00 assign (resid 29 and name HN )(resid 26 and name HA ) 4.00 0.50 1.00 assign (resid 29 and name HN )(resid 27 and name HA ) 4.00 0.50 1.00 assign (resid 33 and name HN )(resid 29 and name HA ) 4.50 0.50 1.50 assign (resid 35 and name HN )(resid 29 and name HA ) 4.30 0.50 1.50 assign (resid 38 and name HN )(resid 70 and name HA ) 4.00 0.50 1.50 assign (resid 38 and name HN )(resid 72 and name HA ) 2.80 0.30 1.00 assign (resid 40 and name HN )(resid 70 and name HA ) 2.80 0.30 1.00 assign (resid 40 and name HN )(resid 72 and name HA ) 4.50 0.50 2.80 assign (resid 41 and name HN )(resid 11 and name HA ) 2.80 0.30 1.00 assign (resid 42 and name HN )(resid 68 and name HA ) 2.80 0.30 1.00 assign (resid 43 and name HN )(resid 13 and name HA ) 3.50 0.50 1.00 assign (resid 51 and name HN )(resid 49 and name HA ) 4.30 0.50 1.00 assign (resid 55 and name HN )(resid 99 and name HA ) 3.00 0.50 1.00 assign (resid 57 and name HN )(resid 96 and name HA ) 4.50 0.50 1.50 assign (resid 58 and name HN )(resid 97 and name HA ) 3.50 0.30 1.00 assign (resid 60 and name HN )(resid 93 and name HA ) 3.50 0.50 1.50 assign (resid 60 and name HN )(resid 95 and name HA ) 2.80 0.30 1.00 assign (resid 62 and name HN )(resid 93 and name HA ) 2.80 0.30 1.00 assign (resid 62 and name HN )(resid 108 and name HA* ) 4.00 0.50 1.50 assign (resid 66 and name HN )(resid 90 and name HA ) 4.00 0.50 1.00 assign (resid 66 and name HN )(resid 91 and name HA ) 3.50 0.50 1.00 assign (resid 68 and name HN )(resid 41 and name HA ) 4.00 0.50 1.50 assign (resid 68 and name HN )(resid 87 and name HA ) 4.00 0.50 1.50 assign (resid 68 and name HN )(resid 89 and name HA ) 4.50 0.50 1.00 assign (resid 68 and name HN )(resid 90 and name HA ) 4.00 0.50 1.00 assign (resid 69 and name HN )(resid 41 and name HA ) 2.80 0.30 1.50 assign (resid 70 and name HN )(resid 87 and name HA ) 2.80 0.30 1.50 assign (resid 71 and name HN )(resid 37 and name HA ) 4.30 0.50 1.00 assign (resid 71 and name HN )(resid 39 and name HA ) 2.80 0.30 1.00 assign (resid 72 and name HN )(resid 85 and name HA ) 2.80 0.30 1.00 assign (resid 73 and name HN )(resid 36 and name HA ) 3.20 0.50 0.50 assign (resid 73 and name HN )(resid 37 and name HA ) 2.80 0.30 1.00 assign (resid 74 and name HN )(resid 83 and name HA ) 2.80 0.30 1.00 assign (resid 84 and name HN )(resid 71 and name HA ) 4.00 0.30 1.00 assign (resid 84 and name HN )(resid 73 and name HA ) 3.80 0.50 1.00 assign (resid 86 and name HN )(resid 71 and name HA ) 4.00 0.50 1.50 assign (resid 88 and name HN )(resid 69 and name HA ) 4.00 0.50 1.00 assign (resid 91 and name HN )(resid 65 and name HA ) 4.00 0.50 1.50 assign (resid 91 and name HN )(resid 89 and name HA ) 2.80 0.30 2.20 assign (resid 91 and name HN )(resid 108 and name HA* ) 4.30 0.50 1.20 assign (resid 94 and name HN )(resid 59 and name HA ) 4.00 0.50 1.50 assign (resid 94 and name HN )(resid 61 and name HA ) 2.80 0.30 1.00 assign (resid 95 and name HN )(resid 103 and name HA ) 4.00 0.50 1.50 assign (resid 96 and name HN )(resid 59 and name HA ) 2.80 0.30 1.00 assign (resid 98 and name HN )(resid 56 and name HA ) 3.20 0.50 0.50 assign (resid 98 and name HN )(resid 57 and name HA ) 4.00 0.50 1.50 assign (resid 99 and name HN )(resid 56 and name HA ) 2.80 0.30 1.00 assign (resid 100 and name HN )(resid 96 and name HA ) 3.80 0.50 1.00 assign (resid 100 and name HN )(resid 97 and name HA ) 4.00 0.50 1.50 assign (resid 102 and name HN )(resid 96 and name HA ) 2.80 0.30 1.00 assign (resid 103 and name HN )(resid 95 and name HA ) 4.00 0.30 1.20 assign (resid 105 and name HN )(resid 94 and name HA ) 2.80 0.50 1.00! assign (resid 108 and name HN )(resid 92 and name HA ) 3.20 0.50 1.00! remarks Group 5: HNi/HAi-3 assign (resid 6 and name HN )(resid 3 and name HA ) 2.80 0.30 1.00 assign (resid 7 and name HN )(resid 4 and name HA ) 2.80 0.30 1.00 assign (resid 8 and name HN )(resid 5 and name HA ) 2.80 0.30 1.00 assign (resid 9 and name HN )(resid 6 and name HA ) 2.80 0.30 1.00 assign (resid 10 and name HN )(resid 7 and name HA ) 2.80 0.30 1.00 assign (resid 11 and name HN )(resid 8 and name HA ) 2.80 0.30 1.00! assign (resid 22 and name HN )(resid 19 and name HA ) 2.80 0.30 1.00! assign (resid 48 and name HN )(resid 45 and name HA ) 2.80 0.30 1.00 assign (resid 49 and name HN )(resid 46 and name HA ) 2.80 0.30 1.00 assign (resid 50 and name HN )(resid 47 and name HA ) 2.80 0.30 1.00 assign (resid 51 and name HN )(resid 48 and name HA ) 2.80 0.30 1.00 assign (resid 52 and name HN )(resid 49 and name HA ) 4.30 0.50 1.00 assign (resid 53 and name HN )(resid 50 and name HA ) 3.50 0.30 1.00 remarks Group 6: other constraints assign (resid 2 and name HN )(resid 5 and name HB ) 3.00 0.50 1.00 assign (resid 2 and name HN )(resid 5 and name HG2* ) 4.00 0.50 2.00 assign (resid 2 and name HN )(resid 102 and name HG* ) 4.00 0.50 2.00 assign (resid 3 and name HA )(resid 6 and name HB1 ) 3.20 0.50 0.50 assign (resid 3 and name HA )(resid 6 and name HB2 ) 3.10 0.50 0.50 assign (resid 3 and name HD1 )(resid 3 and name HA ) 4.00 0.50 1.50 assign (resid 3 and name HE3 )(resid 3 and name HA ) 2.50 0.50 0.50 assign (resid 3 and name HE3 )(resid 6 and name HA ) 3.50 0.50 2.00 assign (resid 3 and name HH2 )(resid 46 and name HA ) 3.80 0.50 1.00 assign (resid 3 and name HH2 )(resid 46 and name HB ) 3.50 0.50 1.00 assign (resid 4 and name HA )(resid 7 and name HB* ) 3.20 0.50 1.00 assign (resid 5 and name HN )(resid 4 and name HB* ) 3.20 0.50 1.00 assign (resid 5 and name HA )(resid 8 and name HB* ) 3.20 0.50 0.50 assign (resid 5 and name HA )(resid 8 and name HG* ) 4.00 0.50 1.50 assign (resid 6 and name HN )(resid 5 and name HG2* ) 4.00 0.50 2.00 assign (resid 6 and name HD* )(resid 103 and name HA ) 3.20 0.50 2.00 assign (resid 6 and name HD* )(resid 3 and name HA ) 4.00 0.50 2.50 assign (resid 6 and name HD* )(resid 6 and name HB1 ) 3.20 0.50 1.50 assign (resid 6 and name HD* )(resid 6 and name HB2 ) 3.00 0.50 1.50 assign (resid 6 and name HD* )(resid 7 and name HA ) 4.00 0.50 2.50 assign (resid 6 and name HD* )(resid 104 and name HA ) 4.00 0.50 2.80 assign (resid 6 and name HE* )(resid 6 and name HB1 ) 4.30 0.50 1.50 assign (resid 6 and name HE* )(resid 6 and name HB2 ) 4.00 0.50 1.50 assign (resid 6 and name HE* )(resid 7 and name HA ) 4.00 0.50 2.50 assign (resid 6 and name HE* )(resid 103 and name HA ) 4.50 0.50 1.50 assign (resid 6 and name HE* )(resid 104 and name HA ) 3.20 0.50 1.50 assign (resid 6 and name HZ )(resid 3 and name HA ) 4.00 0.50 3.00 assign (resid 6 and name HZ )(resid 104 and name HA ) 4.50 0.50 1.50 assign (resid 7 and name HN )(resid 5 and name HB ) 4.00 0.50 2.00 assign (resid 8 and name HN )(resid 5 and name HG2* ) 4.50 0.20 2.00 assign (resid 8 and name HA )(resid 11 and name HB* ) 3.40 0.50 0.50 assign (resid 9 and name HN )(resid 8 and name HG* ) 4.50 0.20 2.00 assign (resid 12 and name HN )(resid 11 and name HG2* ) 4.00 0.50 2.00 assign (resid 14 and name HN )(resid 12 and name HB ) 3.20 0.50 1.00 assign (resid 14 and name HA )(resid 15 and name HD* ) 3.20 0.50 1.00 assign (resid 15 and name HD* )(resid 14 and name HA ) 3.20 0.50 0.50 assign (resid 15 and name HD* )(resid 14 and name HB ) 4.00 0.50 1.50 assign (resid 18 and name HN )(resid 17 and name HD1* ) 4.00 0.50 2.50 assign (resid 21 and name HN )(resid 18 and name HB* ) 4.00 0.50 1.50 assign (resid 21 and name HA )(resid 24 and name HB2 ) 3.80 0.50 0.50 assign (resid 21 and name HA )(resid 24 and name HB1 ) 3.40 0.50 0.50 assign (resid 21 and name HB )(resid 18 and name HB2 ) 3.30 0.50 0.50 assign (resid 21 and name HB )(resid 18 and name HB1 ) 3.80 0.50 0.50 assign (resid 22 and name HN )(resid 21 and name HG2* ) 4.50 0.50 2.50 assign (resid 23 and name HN )(resid 22 and name HG2* ) 4.00 0.50 2.50 assign (resid 25 and name HN )(resid 28 and name HB1 ) 4.00 0.50 1.00 assign (resid 25 and name HN )(resid 28 and name HB2 ) 4.30 0.50 1.00 assign (resid 27 and name HN )(resid 25 and name HB2 ) 3.20 0.50 0.50 assign (resid 27 and name HN )(resid 25 and name HB1 ) 3.50 0.50 0.50 assign (resid 28 and name HN )(resid 25 and name HB2 ) 4.50 0.50 1.50 assign (resid 28 and name HN )(resid 25 and name HB1 ) 4.30 0.50 1.00 assign (resid 28 and name HN )(resid 27 and name HG2* ) 4.00 0.50 2.50 assign (resid 28 and name HE* )(resid 9 and name HA ) 3.20 0.50 1.50 assign (resid 28 and name HE* )(resid 23 and name HA ) 3.50 0.50 1.00 assign (resid 28 and name HE* )(resid 27 and name HD* ) 4.00 0.30 2.00 assign (resid 28 and name HE* )(resid 27 and name HG2* ) 4.00 0.30 2.00 assign (resid 28 and name HD* )(resid 8 and name HB* ) 4.00 0.50 2.50 assign (resid 28 and name HD* )(resid 8 and name HG* ) 4.50 0.50 2.50 assign (resid 28 and name HD* )(resid 9 and name HA ) 4.50 0.50 2.50 assign (resid 28 and name HD* )(resid 23 and name HA ) 4.00 0.50 2.50 assign (resid 28 and name HD* )(resid 25 and name HB2 ) 3.40 0.50 0.50 assign (resid 28 and name HD* )(resid 25 and name HB1 ) 3.00 0.50 0.50 assign (resid 28 and name HD* )(resid 28 and name HA ) 3.20 0.50 0.50 assign (resid 28 and name HD* )(resid 28 and name HB1 ) 3.00 0.50 0.50 assign (resid 28 and name HD* )(resid 28 and name HB2 ) 3.00 0.50 0.50 assign (resid 31 and name HN )(resid 30 and name HG* ) 3.20 0.50 2.00! assign (resid 32 and name HN )(resid 29 and name HG2* ) 3.80 0.50 1.50! assign (resid 32 and name HN )(resid 30 and name HA ) 3.50 0.50 1.50! assign (resid 33 and name HN )(resid 29 and name HG2* ) 3.50 0.50 1.50! assign (resid 33 and name HN )(resid 31 and name HA* ) 3.50 0.50 1.50! assign (resid 37 and name HN )(resid 35 and name HG* ) 3.50 0.50 1.50! assign (resid 38 and name HN )(resid 37 and name HG* ) 3.20 0.50 2.00! assign (resid 38 and name HN )(resid 70 and name HG2* ) 3.50 0.50 1.50! assign (resid 40 and name HN )(resid 39 and name HG2* ) 3.50 0.50 1.50 assign (resid 40 and name HN )(resid 69 and name HB1 ) 4.50 0.50 1.00 assign (resid 40 and name HN )(resid 69 and name HB2 ) 4.00 0.50 1.00 assign (resid 40 and name HD* )(resid 39 and name HA ) 4.00 0.50 2.50 assign (resid 40 and name HD* )(resid 70 and name HA ) 4.00 0.50 2.50 assign (resid 40 and name HE* )(resid 22 and name HD1* ) 4.00 0.50 2.00 assign (resid 41 and name HN )(resid 11 and name HD* ) 4.30 0.50 2.50 assign (resid 42 and name HN )(resid 66 and name HB* ) 4.50 0.50 1.50 assign (resid 42 and name HN )(resid 68 and name HD* ) 4.50 0.50 2.00 assign (resid 43 and name HN )(resid 11 and name HG2* ) 4.20 0.50 2.50 assign (resid 43 and name HN )(resid 42 and name HG2* ) 4.00 0.50 2.50 assign (resid 45 and name HN )(resid 11 and name HG2* ) 4.00 0.50 2.50 assign (resid 49 and name HN )(resid 48 and name HG* ) 3.20 0.50 2.00 assign (resid 51 and name HN )(resid 50 and name HB* ) 4.00 0.50 2.50 assign (resid 54 and name HN )(resid 53 and name HG2* ) 3.50 0.50 1.50 assign (resid 54 and name HN )(resid 99 and name HB* ) 4.00 0.50 2.50 assign (resid 54 and name HN )(resid 99 and name HG* ) 4.50 0.50 2.00 assign (resid 55 and name HN )(resid 53 and name HA ) 3.80 0.50 1.00 assign (resid 56 and name HN )(resid 55 and name HG* ) 3.20 0.50 1.50 assign (resid 57 and name HN )(resid 55 and name HG* ) 3.50 0.50 1.50 assign (resid 57 and name HA )(resid 97 and name HG* ) 3.50 0.50 1.00 assign (resid 58 and name HN )(resid 55 and name HG* ) 4.00 0.50 2.00 assign (resid 58 and name HN )(resid 96 and name HB* ) 3.50 0.50 1.00 assign (resid 60 and name HN )(resid 94 and name HG* ) 4.50 0.50 2.00 assign (resid 62 and name HN )(resid 94 and name HG* ) 3.20 0.50 2.00 assign (resid 66 and name HN )(resid 90 and name HA ) 3.50 0.50 1.00 assign (resid 69 and name HN )(resid 39 and name HG2* ) 3.50 0.50 1.50 assign (resid 69 and name HN )(resid 40 and name HB2 ) 4.00 0.50 0.80 assign (resid 69 and name HN )(resid 40 and name HB1 ) 4.50 0.50 1.00 assign (resid 69 and name HN )(resid 68 and name HD* ) 3.20 0.50 2.00 assign (resid 69 and name HA )(resid 87 and name HG2* ) 3.20 0.50 1.50 assign (resid 70 and name HN )(resid 86 and name HB* ) 3.20 0.50 1.50 assign (resid 71 and name HA )(resid 72 and name HB ) 4.50 0.50 1.50 assign (resid 71 and name HA )(resid 70 and name HG2* ) 4.50 0.50 2.00 assign (resid 71 and name HA )(resid 85 and name HB* ) 4.50 0.50 2.00 assign (resid 72 and name HN )(resid 83 and name HB1 ) 4.00 0.50 0.80 assign (resid 72 and name HN )(resid 83 and name HB2 ) 4.50 0.50 1.00 assign (resid 72 and name HN )(resid 83 and name HD* ) 4.30 0.50 1.50 assign (resid 72 and name HN )(resid 84 and name HB* ) 4.50 0.50 1.50 assign (resid 72 and name HA )(resid 37 and name HB ) 4.00 0.50 1.00 assign (resid 72 and name HA )(resid 37 and name HG* ) 3.20 0.50 2.00 assign (resid 73 and name HN )(resid 72 and name HG2* ) 3.50 0.50 2.00 assign (resid 73 and name HN )(resid 83 and name HD* ) 4.30 0.50 2.00 assign (resid 75 and name HN )(resid 74 and name HG2* ) 3.50 0.50 2.00 assign (resid 77 and name HA )(resid 78 and name HD* ) 3.20 0.50 1.00 assign (resid 78 and name HD* )(resid 77 and name HA ) 3.20 0.50 0.50 assign (resid 79 and name HA )(resid 80 and name HA ) 3.20 0.50 0.50 assign (resid 81 and name HA )(resid 82 and name HD* ) 3.20 0.50 1.00 assign (resid 82 and name HD* )(resid 81 and name HA ) 3.20 0.50 0.50 assign (resid 82 and name HD* )(resid 81 and name HB* ) 3.50 0.50 1.00 assign (resid 83 and name HE* )(resid 82 and name HD* ) 4.00 0.50 2.50 assign (resid 84 and name HN )(resid 72 and name HB ) 3.50 0.50 1.00 assign (resid 84 and name HN )(resid 74 and name HG2* ) 3.50 0.50 2.00 assign (resid 86 and name HN )(resid 70 and name HB ) 3.50 0.50 1.00 assign (resid 90 and name HN )(resid 65 and name HG* ) 3.80 0.50 1.00 assign (resid 90 and name HN )(resid 68 and name HG ) 3.50 0.50 1.00 assign (resid 90 and name HA )(resid 68 and name HD* ) 4.50 0.50 2.50 assign (resid 91 and name HD* )(resid 65 and name HA ) 4.00 0.50 2.50 assign (resid 91 and name HD* )(resid 108 and name HA* ) 3.00 0.50 1.50 assign (resid 91 and name HE* )(resid 65 and name HA ) 4.50 0.50 2.50 assign (resid 91 and name HE* )(resid 108 and name HA* ) 4.00 0.50 2.50 assign (resid 92 and name HN )(resid 62 and name HG ) 3.00 0.50 0.80 assign (resid 92 and name HN )(resid 66 and name HD* ) 3.80 0.50 1.50 assign (resid 93 and name HA )(resid 61 and name HD* ) 3.50 0.50 2.00 assign (resid 95 and name HN )(resid 59 and name HA ) 4.50 0.50 1.00 assign (resid 95 and name HN )(resid 103 and name HB* ) 3.80 0.50 1.00 assign (resid 95 and name HN )(resid 105 and name HB* ) 4.50 0.50 2.00 assign (resid 96 and name HN )(resid 60 and name HG* ) 4.50 0.50 2.00 assign (resid 97 and name HN )(resid 101 and name HA ) 3.50 0.50 1.00 assign (resid 97 and name HN )(resid 102 and name HG* ) 3.80 0.50 1.50 assign (resid 97 and name HA )(resid 57 and name HB2 ) 3.80 0.50 1.00 assign (resid 97 and name HA )(resid 57 and name HB1 ) 4.20 0.50 1.00 assign (resid 98 and name HN )(resid 56 and name HG2* ) 4.50 0.50 2.50! assign (resid 99 and name HN )(resid 52 and name HB* ) 4.30 0.50 2.50! assign (resid 99 and name HN )(resid 96 and name HB2 ) 4.50 0.50 1.00! assign (resid 99 and name HN )(resid 96 and name HB1 ) 4.00 0.50 1.00! assign (resid 99 and name HN )(resid 97 and name HA ) 3.50 0.50 1.50! assign (resid 100 and name HD* )(resid 3 and name HB* ) 3.50 0.50 1.50 assign (resid 100 and name HD* )(resid 6 and name HA ) 4.50 0.30 3.00 assign (resid 100 and name HD* )(resid 97 and name HG* ) 4.50 0.50 2.50 assign (resid 100 and name HE* )(resid 3 and name HB* ) 4.00 0.50 2.00 assign (resid 100 and name HE* )(resid 6 and name HA ) 3.20 0.50 2.00 assign (resid 100 and name HE* )(resid 6 and name HB1 ) 4.20 0.50 1.50 assign (resid 100 and name HE* )(resid 6 and name HB2 ) 3.80 0.50 1.50 assign (resid 100 and name HE* )(resid 9 and name HA ) 4.50 0.50 4.00 assign (resid 100 and name HE* )(resid 9 and name HB* ) 3.20 0.50 2.50 assign (resid 100 and name HE* )(resid 9 and name HG* ) 4.00 0.50 2.50 assign (resid 100 and name HE* )(resid 10 and name HB* ) 4.50 0.50 3.00 assign (resid 103 and name HN )(resid 6 and name HD* ) 4.30 0.50 1.50 assign (resid 103 and name HN )(resid 95 and name HA ) 3.50 0.50 1.50 assign (resid 103 and name HN )(resid 95 and name HB* ) 3.20 0.50 1.20 assign (resid 103 and name HN )(resid 96 and name HA ) 3.50 0.50 2.00 assign (resid 103 and name HD2 )(resid 95 and name HA ) 4.00 0.50 1.50 assign (resid 103 and name HD2 )(resid 99 and name HA ) 4.00 0.50 3.30 assign (resid 103 and name HD2 )(resid 103 and name HA ) 4.00 0.50 1.50 assign (resid 103 and name HD2 )(resid 103 and name HB* ) 3.20 0.50 1.50 assign (resid 103 and name HE1 )(resid 99 and name HA ) 3.80 0.50 4.50! assign (resid 104 and name HN )(resid 6 and name HD* ) 4.30 0.50 1.50 assign (resid 104 and name HE* )(resid 10 and name HB1 ) 4.20 0.50 1.50 assign (resid 104 and name HE* )(resid 10 and name HB2 ) 4.20 0.50 1.50 assign (resid 104 and name HE* )(resid 95 and name HA ) 4.50 0.50 2.80 assign (resid 105 and name HN )(resid 94 and name HG* ) 3.80 0.50 1.00 assign (resid 106 and name HN )(resid 93 and name HB1 ) 3.70 0.50 0.70 assign (resid 106 and name HN )(resid 93 and name HB2 ) 4.00 0.50 1.00 assign (resid 106 and name HN )(resid 105 and name HB* ) 4.00 0.50 2.50 assign (resid 109 and name HA )(resid 61 and name HD* ) 3.50 0.50 2.00 assign (resid 110 and name HA )(resid 111 and name HD* ) 3.20 0.50 1.00 assign (resid 111 and name HD* )(resid 110 and name HA ) 3.20 0.50 0.50 assign (resid 111 and name HD* )(resid 110 and name HB* ) 3.50 0.50 1.00 remarks Group 7: aromatic constraints (add on 11/17/95) assign (resid 3 and name HD1 )(resid 100 and name HD* ) 3.00 0.50 1.50 assign (resid 3 and name HD1 )(resid 100 and name HE* ) 3.00 0.50 1.50 assign (resid 3 and name HH2 )(resid 6 and name HD* ) 4.50 0.30 3.00 assign (resid 3 and name HH2 )(resid 6 and name HE* ) 4.80 0.30 3.00 assign (resid 3 and name HE3 )(resid 100 and name HE* ) 3.50 0.50 1.50 assign (resid 3 and name HE3 )(resid 6 and name HD* ) 3.50 0.50 1.00 assign (resid 3 and name HE3 )(resid 6 and name HE* ) 3.50 0.50 2.00 assign (resid 3 and name HD1 )(resid 3 and name HA ) 3.50 0.50 0.50 assign (resid 6 and name HE* )(resid 100 and name HD* ) 3.50 0.50 1.50 assign (resid 6 and name HD* )(resid 103 and name HA ) 3.50 0.50 1.50 assign (resid 6 and name HD* )(resid 3 and name HA ) 3.50 0.50 1.00 assign (resid 6 and name HE* )(resid 103 and name HA ) 3.50 0.50 0.50 assign (resid 6 and name HD* )(resid 100 and name HE* ) 3.00 0.50 0.50 assign (resid 7 and name HN )(resid 6 and name HD* ) 3.50 0.50 1.50 assign (resid 9 and name HN )(resid 28 and name HE* ) 4.50 0.50 2.00 assign (resid 28 and name HD* )(resid 28 and name HA ) 3.00 0.50 1.00 assign (resid 28 and name HE* )(resid 28 and name HA ) 3.50 0.50 1.00 assign (resid 40 and name HD* )(resid 28 and name HE* ) 3.50 0.50 1.50 assign (resid 40 and name HE* )(resid 28 and name HE* ) 3.50 0.50 1.50 assign (resid 40 and name HD* )(resid 70 and name HA ) 3.50 0.50 1.50 assign (resid 49 and name HN )(resid 3 and name HH2 ) 3.50 0.50 1.20 assign (resid 62 and name HN )(resid 66 and name HD* ) 4.00 0.30 2.00 assign (resid 66 and name HD* )(resid 66 and name HB* ) 2.50 0.50 1.50 assign (resid 66 and name HD* )(resid 62 and name HA ) 3.00 0.50 1.00 assign (resid 66 and name HD* )(resid 43 and name HB* ) 2.50 0.50 1.50 assign (resid 66 and name HD* )(resid 48 and name HA ) 3.00 0.50 1.00 assign (resid 66 and name HD* )(resid 47 and name HB ) 3.50 0.30 2.00 assign (resid 66 and name HD* )(resid 47 and name HA ) 4.30 0.50 2.00 assign (resid 72 and name HN )(resid 83 and name HE* ) 4.50 0.50 2.00 assign (resid 73 and name HN )(resid 83 and name HD* ) 4.00 0.50 1.50 assign (resid 73 and name HN )(resid 83 and name HE* ) 4.30 0.50 1.50 assign (resid 83 and name HD* )(resid 37 and name HA ) 3.50 0.50 4.50 assign (resid 83 and name HD* )(resid 40 and name HD* ) 4.50 0.20 4.00 assign (resid 83 and name HD* )(resid 39 and name HA ) 4.30 0.30 3.00 assign (resid 83 and name HD* )(resid 82 and name HA ) 3.50 0.50 1.50 assign (resid 84 and name HN )(resid 83 and name HE* ) 4.00 0.30 2.00 assign (resid 95 and name HN )(resid 103 and name HD2 ) 3.50 0.50 1.50 assign (resid 100 and name HN )(resid 100 and name HD* ) 3.00 0.50 1.50 assign (resid 100 and name HD* )(resid 3 and name HA ) 3.50 0.50 1.50 assign (resid 103 and name HD2 )(resid 95 and name HA ) 3.50 0.50 1.50 assign (resid 104 and name HE* )(resid 95 and name HA ) 3.50 0.50 3.50 remarks Group 8: HNi/HAi-1 assign (resid 2 and name HN )(resid 1 and name HA ) 3.00 0.50 0.50 assign (resid 3 and name HN )(resid 2 and name HA ) 3.00 0.50 0.50 assign (resid 4 and name HN )(resid 3 and name HA ) 3.50 0.50 1.00 assign (resid 5 and name HN )(resid 4 and name HA ) 3.50 0.50 1.00 assign (resid 6 and name HN )(resid 5 and name HA ) 3.50 0.50 1.00 assign (resid 7 and name HN )(resid 6 and name HA ) 3.50 0.50 1.00 assign (resid 8 and name HN )(resid 7 and name HA ) 3.50 0.50 1.00 assign (resid 9 and name HN )(resid 8 and name HA ) 3.50 0.50 1.00 assign (resid 10 and name HN )(resid 9 and name HA ) 3.50 0.50 1.00 assign (resid 11 and name HN )(resid 10 and name HA ) 3.50 0.50 1.00 assign (resid 12 and name HN )(resid 11 and name HA ) 2.50 0.50 0.30 assign (resid 13 and name HN )(resid 12 and name HA ) 3.00 0.50 0.50 assign (resid 14 and name HN )(resid 13 and name HA ) 3.00 0.50 0.50 assign (resid 16 and name HN )(resid 15 and name HA ) 3.00 0.50 0.50 assign (resid 17 and name HN )(resid 16 and name HA ) 2.50 0.50 0.30 assign (resid 18 and name HN )(resid 17 and name HA ) 2.50 0.50 0.30 assign (resid 19 and name HN )(resid 18 and name HA ) 2.50 0.50 0.30 assign (resid 20 and name HN )(resid 19 and name HA ) 3.00 0.50 0.50 assign (resid 21 and name HN )(resid 20 and name HA ) 3.50 0.50 1.00 assign (resid 22 and name HN )(resid 21 and name HA ) 3.50 0.50 1.00 assign (resid 23 and name HN )(resid 22 and name HA ) 3.50 0.50 1.00 assign (resid 24 and name HN )(resid 23 and name HA ) 3.50 1.50 1.50 assign (resid 25 and name HN )(resid 24 and name HA ) 3.00 0.50 0.50 assign (resid 26 and name HN )(resid 25 and name HA ) 2.50 0.50 0.30 assign (resid 27 and name HN )(resid 26 and name HA ) 3.50 0.50 0.50 assign (resid 28 and name HN )(resid 27 and name HA ) 3.50 0.50 0.50 assign (resid 29 and name HN )(resid 28 and name HA ) 3.50 0.50 0.50 assign (resid 30 and name HN )(resid 29 and name HA ) 2.50 0.50 0.30 assign (resid 31 and name HN )(resid 30 and name HA ) 2.50 0.50 0.30 assign (resid 32 and name HN )(resid 31 and name HA* ) 3.50 0.50 0.50 assign (resid 33 and name HN )(resid 32 and name HA* ) 3.50 0.50 0.50 assign (resid 34 and name HN )(resid 33 and name HA ) 3.50 1.50 1.50 assign (resid 35 and name HN )(resid 34 and name HA ) 3.50 1.50 1.50 assign (resid 36 and name HN )(resid 35 and name HA ) 2.50 0.50 0.30 assign (resid 37 and name HN )(resid 36 and name HA ) 3.00 0.50 0.50 assign (resid 38 and name HN )(resid 37 and name HA ) 2.50 0.50 0.30 assign (resid 39 and name HN )(resid 38 and name HA ) 3.50 1.50 1.50 assign (resid 40 and name HN )(resid 39 and name HA ) 2.50 0.50 0.30 assign (resid 41 and name HN )(resid 40 and name HA ) 3.50 1.50 1.50 assign (resid 42 and name HN )(resid 41 and name HA ) 2.50 0.50 0.30 assign (resid 43 and name HN )(resid 42 and name HA ) 2.50 0.50 0.30 assign (resid 44 and name HN )(resid 43 and name HA ) 3.50 1.50 1.50 assign (resid 45 and name HN )(resid 44 and name HA ) 3.50 1.50 1.50 assign (resid 46 and name HN )(resid 45 and name HA ) 3.50 1.50 1.50 assign (resid 47 and name HN )(resid 46 and name HA ) 3.50 1.50 1.50 assign (resid 48 and name HN )(resid 47 and name HA ) 3.50 1.50 1.50 assign (resid 49 and name HN )(resid 48 and name HA ) 3.00 0.50 0.50 assign (resid 50 and name HN )(resid 49 and name HA ) 3.50 0.50 0.50 assign (resid 51 and name HN )(resid 50 and name HA ) 3.50 0.50 1.00 assign (resid 52 and name HN )(resid 51 and name HA ) 3.50 0.50 0.50 assign (resid 53 and name HN )(resid 52 and name HA ) 3.50 1.50 1.50 assign (resid 54 and name HN )(resid 53 and name HA ) 2.50 0.50 0.30 assign (resid 55 and name HN )(resid 54 and name HA* ) 3.50 0.50 0.50 assign (resid 56 and name HN )(resid 55 and name HA ) 3.50 1.50 1.50 assign (resid 57 and name HN )(resid 56 and name HA ) 3.50 0.50 0.50 assign (resid 58 and name HN )(resid 57 and name HA ) 2.50 0.50 0.30 assign (resid 59 and name HN )(resid 58 and name HA ) 3.50 1.50 1.50 assign (resid 60 and name HN )(resid 59 and name HA ) 2.50 0.50 0.30 assign (resid 61 and name HN )(resid 60 and name HA ) 2.50 0.50 0.30 assign (resid 62 and name HN )(resid 61 and name HA ) 2.50 0.50 0.30 assign (resid 63 and name HN )(resid 62 and name HA ) 3.00 0.50 0.50 assign (resid 64 and name HN )(resid 63 and name HA ) 3.50 1.50 1.50 assign (resid 65 and name HN )(resid 64 and name HA ) 3.50 1.50 1.50 assign (resid 66 and name HN )(resid 65 and name HA ) 2.50 0.50 0.30 assign (resid 67 and name HN )(resid 66 and name HA ) 3.50 1.50 1.50 assign (resid 68 and name HN )(resid 67 and name HA ) 3.50 1.50 1.50 assign (resid 69 and name HN )(resid 68 and name HA ) 2.50 0.50 0.30 assign (resid 70 and name HN )(resid 69 and name HA ) 2.50 0.50 0.30 assign (resid 71 and name HN )(resid 70 and name HA ) 2.50 0.50 0.30 assign (resid 72 and name HN )(resid 71 and name HA ) 2.50 0.50 0.30 assign (resid 73 and name HN )(resid 72 and name HA ) 2.50 0.50 0.30 assign (resid 74 and name HN )(resid 73 and name HA ) 2.50 0.50 0.30 assign (resid 75 and name HN )(resid 74 and name HA ) 3.50 0.50 0.50 assign (resid 76 and name HN )(resid 75 and name HA ) 2.50 0.50 0.30 assign (resid 77 and name HN )(resid 76 and name HA ) 3.50 1.50 1.50 assign (resid 79 and name HN )(resid 78 and name HA ) 3.50 1.50 1.50 assign (resid 81 and name HN )(resid 80 and name HA ) 3.50 1.50 1.50 assign (resid 83 and name HN )(resid 82 and name HA ) 2.50 0.50 0.30 assign (resid 84 and name HN )(resid 83 and name HA ) 2.50 0.50 0.30 assign (resid 85 and name HN )(resid 84 and name HA ) 3.50 1.50 1.50 assign (resid 86 and name HN )(resid 85 and name HA ) 2.50 0.50 0.30 assign (resid 87 and name HN )(resid 86 and name HA ) 2.50 0.50 0.30 assign (resid 88 and name HN )(resid 87 and name HA ) 2.50 0.50 0.30 assign (resid 89 and name HN )(resid 88 and name HA ) 3.50 1.50 1.50 assign (resid 90 and name HN )(resid 89 and name HA ) 3.50 1.50 1.50 assign (resid 91 and name HN )(resid 90 and name HA ) 2.50 0.50 0.30 assign (resid 92 and name HN )(resid 91 and name HA ) 3.50 1.50 1.50 assign (resid 93 and name HN )(resid 92 and name HA ) 2.50 0.50 0.30 assign (resid 94 and name HN )(resid 93 and name HA ) 2.50 0.50 0.30 assign (resid 95 and name HN )(resid 94 and name HA ) 3.50 1.50 1.50 assign (resid 96 and name HN )(resid 95 and name HA ) 3.00 0.50 0.50 assign (resid 97 and name HN )(resid 96 and name HA ) 2.50 0.50 0.30 assign (resid 98 and name HN )(resid 97 and name HA ) 3.00 0.50 1.00 assign (resid 99 and name HN )(resid 98 and name HA ) 3.00 0.50 0.50 assign (resid 100 and name HN )(resid 99 and name HA ) 3.50 0.50 0.50 assign (resid 102 and name HN )(resid 101 and name HA ) 2.50 0.50 0.30 assign (resid 103 and name HN )(resid 102 and name HA ) 3.50 1.50 1.50 assign (resid 104 and name HN )(resid 103 and name HA ) 3.00 0.50 1.00 assign (resid 105 and name HN )(resid 104 and name HA ) 2.50 0.50 0.30 assign (resid 106 and name HN )(resid 105 and name HA ) 3.50 1.50 1.50 assign (resid 107 and name HN )(resid 106 and name HA* ) 3.50 1.50 1.50 assign (resid 108 and name HN )(resid 107 and name HA ) 3.50 1.50 1.50 assign (resid 109 and name HN )(resid 108 and name HA* ) 3.50 1.50 1.50 assign (resid 110 and name HN )(resid 109 and name HA ) 2.50 0.50 0.30 remarks Group 9: HNi/HBi-1 assign (resid 3 and name HN )(resid 2 and name HB* ) 4.00 0.50 1.50 assign (resid 4 and name HN )(resid 3 and name HB* ) 3.50 0.50 1.00 assign (resid 5 and name HN )(resid 4 and name HB* ) 3.00 0.50 2.00 assign (resid 6 and name HN )(resid 5 and name HB ) 3.50 0.50 1.00 assign (resid 7 and name HN )(resid 6 and name HB1 ) 3.50 0.50 0.50 assign (resid 7 and name HN )(resid 6 and name HB2 ) 4.00 0.50 1.00 assign (resid 8 and name HN )(resid 7 and name HB* ) 3.50 0.50 1.00 assign (resid 9 and name HN )(resid 8 and name HB* ) 3.50 0.50 1.00 assign (resid 10 and name HN )(resid 9 and name HB* ) 3.50 0.50 1.00 assign (resid 11 and name HN )(resid 10 and name HB1 ) 4.20 0.50 1.00 assign (resid 11 and name HN )(resid 10 and name HB2 ) 3.50 0.50 0.50 assign (resid 14 and name HN )(resid 13 and name HB* ) 4.50 0.50 2.00 assign (resid 18 and name HN )(resid 17 and name HB ) 3.50 0.50 1.00 assign (resid 19 and name HN )(resid 18 and name HB2 ) 4.50 0.50 1.50 assign (resid 19 and name HN )(resid 18 and name HB1 ) 4.30 0.50 1.00 assign (resid 20 and name HN )(resid 19 and name HB* ) 4.30 0.50 1.00 assign (resid 21 and name HN )(resid 20 and name HB* ) 3.50 0.50 1.50 assign (resid 22 and name HN )(resid 21 and name HB ) 4.00 0.50 1.00 assign (resid 23 and name HN )(resid 22 and name HB ) 4.00 0.30 1.00 assign (resid 25 and name HN )(resid 24 and name HB2 ) 4.30 0.50 1.00 assign (resid 25 and name HN )(resid 24 and name HB1 ) 4.30 0.50 1.00 assign (resid 26 and name HN )(resid 25 and name HB* ) 4.00 0.30 1.50 assign (resid 27 and name HN )(resid 26 and name HB* ) 3.80 0.50 1.00 assign (resid 28 and name HN )(resid 27 and name HB* ) 4.30 0.50 1.00 assign (resid 29 and name HN )(resid 28 and name HB* ) 4.50 0.50 2.00 assign (resid 30 and name HN )(resid 29 and name HB ) 4.30 0.50 1.00 assign (resid 31 and name HN )(resid 30 and name HB ) 4.30 0.50 1.00 assign (resid 37 and name HN )(resid 36 and name HB* ) 3.80 0.50 1.00 assign (resid 38 and name HN )(resid 37 and name HB ) 4.50 0.50 2.00 assign (resid 39 and name HN )(resid 38 and name HB* ) 3.80 0.50 1.00 assign (resid 41 and name HN )(resid 40 and name HB2 ) 3.80 0.50 0.70 assign (resid 41 and name HN )(resid 40 and name HB1 ) 3.50 0.50 0.50 assign (resid 42 and name HN )(resid 41 and name HB ) 4.50 0.50 1.00 assign (resid 43 and name HN )(resid 42 and name HB* ) 4.50 0.50 2.00 assign (resid 44 and name HN )(resid 43 and name HB* ) 4.50 0.50 2.00 assign (resid 45 and name HN )(resid 44 and name HB* ) 4.30 0.50 1.00 assign (resid 46 and name HN )(resid 45 and name HB* ) 3.00 0.50 2.00 assign (resid 47 and name HN )(resid 46 and name HB ) 3.50 0.50 1.00 assign (resid 48 and name HN )(resid 47 and name HB ) 3.50 0.50 1.00 assign (resid 49 and name HN )(resid 48 and name HB ) 3.00 0.50 1.00 assign (resid 50 and name HN )(resid 49 and name HB* ) 4.00 0.50 1.50 assign (resid 51 and name HN )(resid 50 and name HB* ) 4.00 0.50 2.00 assign (resid 52 and name HN )(resid 51 and name HB ) 3.80 0.50 1.00 assign (resid 53 and name HN )(resid 52 and name HB* ) 4.50 0.50 2.00 assign (resid 54 and name HN )(resid 53 and name HB ) 4.50 0.50 2.00 assign (resid 56 and name HN )(resid 55 and name HB ) 4.50 0.50 2.50 assign (resid 58 and name HN )(resid 57 and name HB2 ) 3.80 0.50 0.70 assign (resid 58 and name HN )(resid 57 and name HB1 ) 3.50 0.50 0.50 assign (resid 60 and name HN )(resid 59 and name HB* ) 4.00 0.50 1.50 assign (resid 61 and name HN )(resid 60 and name HB ) 3.50 0.50 1.00 assign (resid 62 and name HN )(resid 61 and name HB* ) 3.50 0.50 1.00 assign (resid 63 and name HN )(resid 62 and name HB* ) 3.50 0.50 1.00 assign (resid 67 and name HN )(resid 66 and name HB* ) 3.50 0.50 1.50 assign (resid 68 and name HN )(resid 67 and name HB* ) 3.50 0.50 1.00 assign (resid 69 and name HN )(resid 68 and name HB* ) 3.50 0.50 1.00 assign (resid 70 and name HN )(resid 69 and name HB1 ) 4.30 0.50 1.00 assign (resid 70 and name HN )(resid 69 and name HB2 ) 4.50 0.30 1.50 assign (resid 71 and name HN )(resid 70 and name HB ) 4.00 0.50 1.00 assign (resid 72 and name HN )(resid 71 and name HB* ) 4.00 0.50 1.00 assign (resid 73 and name HN )(resid 72 and name HB ) 4.30 0.50 1.00 assign (resid 74 and name HN )(resid 73 and name HB* ) 4.50 0.50 1.00 assign (resid 76 and name HN )(resid 75 and name HB* ) 3.50 0.50 1.00 assign (resid 83 and name HN )(resid 82 and name HB* ) 4.00 0.50 1.00 assign (resid 84 and name HN )(resid 83 and name HB1 ) 3.80 0.50 0.50 assign (resid 84 and name HN )(resid 83 and name HB2 ) 4.00 0.50 0.50 assign (resid 85 and name HN )(resid 84 and name HB* ) 4.00 0.50 1.00 assign (resid 86 and name HN )(resid 85 and name HB* ) 3.80 0.50 1.50 assign (resid 87 and name HN )(resid 86 and name HB* ) 4.00 0.50 1.00 assign (resid 88 and name HN )(resid 87 and name HB ) 3.50 0.50 1.00 assign (resid 91 and name HN )(resid 90 and name HB* ) 4.00 0.30 1.50 assign (resid 94 and name HN )(resid 93 and name HB1 ) 4.20 0.50 1.00 assign (resid 94 and name HN )(resid 93 and name HB2 ) 4.00 0.50 0.50 assign (resid 97 and name HN )(resid 96 and name HB2 ) 4.00 0.50 0.80 assign (resid 97 and name HN )(resid 96 and name HB1 ) 3.80 0.50 0.50 assign (resid 98 and name HN )(resid 97 and name HB* ) 4.00 0.50 1.00 assign (resid 99 and name HN )(resid 98 and name HB* ) 4.50 0.50 2.00 assign (resid 100 and name HN )(resid 99 and name HB* ) 3.50 0.50 1.00 assign (resid 104 and name HN )(resid 103 and name HB* ) 3.80 0.30 1.50 assign (resid 105 and name HN )(resid 104 and name HB* ) 4.00 0.50 1.00 assign (resid 106 and name HN )(resid 105 and name HB* ) 3.80 0.50 2.00 assign (resid 110 and name HN )(resid 109 and name HB* ) 3.50 0.50 1.00 remarks Group 10: intraresidues restraints assign (resid 3 and name HN )(resid 3 and name HA ) 3.20 0.50 0.50 assign (resid 3 and name HN )(resid 3 and name HB* ) 3.30 0.50 0.50 assign (resid 4 and name HN )(resid 4 and name HA ) 3.20 0.50 0.50 assign (resid 4 and name HN )(resid 4 and name HB* ) 3.00 0.50 1.00 assign (resid 5 and name HN )(resid 5 and name HA ) 3.20 0.50 0.50 assign (resid 5 and name HN )(resid 5 and name HB ) 3.20 0.50 0.50 assign (resid 5 and name HN )(resid 5 and name HG2* ) 3.80 0.50 1.00 assign (resid 6 and name HN )(resid 6 and name HA ) 3.20 0.50 0.50 assign (resid 6 and name HN )(resid 6 and name HB1 ) 3.00 0.50 0.50 assign (resid 6 and name HN )(resid 6 and name HB2 ) 3.00 0.50 0.50 assign (resid 7 and name HN )(resid 7 and name HA ) 3.20 0.50 0.50 assign (resid 7 and name HN )(resid 7 and name HB* ) 3.20 0.50 0.50 assign (resid 7 and name HN )(resid 7 and name HG* ) 3.50 0.50 1.00 assign (resid 8 and name HN )(resid 8 and name HA ) 3.00 0.50 0.50 assign (resid 8 and name HN )(resid 8 and name HB* ) 3.00 0.50 0.50 assign (resid 8 and name HN )(resid 8 and name HG* ) 4.00 0.50 1.50 assign (resid 9 and name HN )(resid 9 and name HA ) 3.20 0.50 0.50 assign (resid 9 and name HN )(resid 9 and name HB* ) 3.20 0.50 0.50 assign (resid 10 and name HN )(resid 10 and name HB1 ) 3.80 0.50 0.50 assign (resid 10 and name HN )(resid 10 and name HB2 ) 3.20 0.50 0.50 assign (resid 11 and name HN )(resid 11 and name HA ) 3.40 0.50 0.50 assign (resid 12 and name HN )(resid 12 and name HA ) 3.40 0.50 0.50 assign (resid 13 and name HN )(resid 13 and name HA ) 3.50 0.50 0.50 assign (resid 13 and name HN )(resid 13 and name HB* ) 3.20 0.50 0.50 assign (resid 14 and name HN )(resid 14 and name HA ) 3.60 0.50 0.50 assign (resid 14 and name HN )(resid 14 and name HB* ) 4.00 0.50 0.50 assign (resid 14 and name HN )(resid 14 and name HG2* ) 3.20 0.50 1.00 assign (resid 17 and name HN )(resid 17 and name HA ) 3.70 0.50 1.00 assign (resid 17 and name HN )(resid 17 and name HB ) 3.60 0.50 0.50 assign (resid 18 and name HN )(resid 18 and name HA ) 3.80 0.50 0.50 assign (resid 18 and name HN )(resid 18 and name HB2 ) 3.30 0.50 0.50 assign (resid 18 and name HN )(resid 18 and name HB1 ) 3.80 0.50 0.50 assign (resid 19 and name HN )(resid 19 and name HA ) 3.70 0.50 1.00 assign (resid 19 and name HN )(resid 19 and name HB* ) 3.70 0.50 1.00 assign (resid 20 and name HN )(resid 20 and name HA ) 3.70 0.50 1.00 assign (resid 20 and name HN )(resid 20 and name HB* ) 3.70 0.50 1.00 assign (resid 21 and name HN )(resid 21 and name HA ) 3.20 0.50 0.50 assign (resid 21 and name HN )(resid 21 and name HB ) 3.20 0.50 0.50 assign (resid 21 and name HN )(resid 21 and name HG2* ) 3.70 0.50 1.00 assign (resid 21 and name HA )(resid 21 and name HB ) 3.20 0.50 0.50 assign (resid 22 and name HN )(resid 22 and name HA ) 3.20 0.50 0.50 assign (resid 24 and name HN )(resid 24 and name HA ) 3.70 0.50 1.00 assign (resid 25 and name HN )(resid 25 and name HB* ) 3.50 0.50 0.80 assign (resid 26 and name HN )(resid 26 and name HA ) 3.70 0.50 1.00 assign (resid 26 and name HN )(resid 26 and name HB* ) 3.20 0.50 0.50 assign (resid 28 and name HN )(resid 28 and name HA ) 3.50 0.50 0.50 assign (resid 28 and name HN )(resid 28 and name HB1 ) 4.00 0.50 0.50 assign (resid 28 and name HN )(resid 28 and name HB2 ) 3.50 0.50 0.50 assign (resid 29 and name HN )(resid 29 and name HA ) 3.80 0.50 0.50 assign (resid 29 and name HN )(resid 29 and name HB ) 3.20 0.50 0.50 assign (resid 30 and name HN )(resid 30 and name HA ) 4.00 0.50 0.50 assign (resid 30 and name HN )(resid 30 and name HB ) 3.20 0.50 0.50 assign (resid 33 and name HN )(resid 33 and name HA ) 3.70 0.50 1.00 assign (resid 33 and name HN )(resid 33 and name HB* ) 3.70 0.50 1.00 assign (resid 33 and name HN )(resid 33 and name HG* ) 3.70 0.50 1.00 assign (resid 35 and name HN )(resid 35 and name HA ) 3.50 0.50 0.50 assign (resid 36 and name HN )(resid 36 and name HA ) 3.70 0.50 1.00 assign (resid 37 and name HN )(resid 37 and name HA ) 3.70 0.50 1.00 assign (resid 37 and name HN )(resid 37 and name HB ) 3.00 0.50 0.50 assign (resid 37 and name HN )(resid 37 and name HG* ) 4.00 0.50 1.50 assign (resid 37 and name HA )(resid 37 and name HB ) 3.20 0.50 0.50 assign (resid 37 and name HA )(resid 37 and name HG* ) 3.20 0.50 1.50 assign (resid 38 and name HN )(resid 38 and name HA ) 3.20 0.50 0.50 assign (resid 38 and name HN )(resid 38 and name HB* ) 3.70 0.50 1.00 assign (resid 40 and name HN )(resid 40 and name HA ) 3.70 0.50 1.00 assign (resid 40 and name HN )(resid 40 and name HB2 ) 3.00 0.50 0.50 assign (resid 40 and name HN )(resid 40 and name HB1 ) 3.00 0.50 0.50 assign (resid 40 and name HN )(resid 40 and name HD* ) 4.00 0.30 1.50 assign (resid 41 and name HN )(resid 41 and name HA ) 3.70 0.50 1.00 assign (resid 42 and name HN )(resid 42 and name HA ) 3.70 0.50 1.00 assign (resid 42 and name HN )(resid 42 and name HB ) 3.50 0.50 0.50 assign (resid 43 and name HN )(resid 43 and name HB* ) 3.70 0.50 1.00 assign (resid 44 and name HN )(resid 44 and name HB* ) 3.70 0.50 1.00 assign (resid 45 and name HN )(resid 45 and name HB* ) 3.20 0.50 1.00 assign (resid 46 and name HN )(resid 46 and name HA ) 3.20 0.50 0.50 assign (resid 46 and name HN )(resid 46 and name HB ) 3.20 0.50 0.50 assign (resid 46 and name HN )(resid 46 and name HG2* ) 3.20 0.50 1.00 assign (resid 47 and name HN )(resid 47 and name HA ) 3.20 0.50 0.50 assign (resid 47 and name HN )(resid 47 and name HB ) 3.30 0.50 0.50 assign (resid 47 and name HN )(resid 47 and name HG2* ) 3.70 0.50 1.00 assign (resid 48 and name HN )(resid 48 and name HA ) 3.20 0.50 0.50 assign (resid 48 and name HN )(resid 48 and name HB ) 3.20 0.50 0.50 assign (resid 48 and name HN )(resid 48 and name HG2* ) 3.20 0.50 1.00 assign (resid 48 and name HA )(resid 48 and name HB ) 3.70 0.50 1.00 assign (resid 49 and name HN )(resid 49 and name HA ) 3.20 0.50 0.50 assign (resid 50 and name HN )(resid 50 and name HA ) 3.00 0.50 0.50 assign (resid 50 and name HN )(resid 50 and name HB* ) 3.00 0.50 1.00 assign (resid 51 and name HN )(resid 51 and name HA ) 3.00 0.50 0.50 assign (resid 51 and name HN )(resid 51 and name HB ) 3.00 0.50 0.50 assign (resid 52 and name HN )(resid 52 and name HA ) 3.20 0.50 0.50 assign (resid 52 and name HN )(resid 52 and name HB* ) 3.20 0.50 0.50 assign (resid 53 and name HN )(resid 53 and name HG2* ) 3.70 0.50 1.00 assign (resid 53 and name HN )(resid 53 and name HA ) 3.50 0.50 1.00 assign (resid 53 and name HN )(resid 53 and name HB ) 3.20 0.50 0.50 assign (resid 55 and name HN )(resid 55 and name HA ) 3.30 0.50 0.50 assign (resid 55 and name HN )(resid 55 and name HB ) 3.20 0.50 0.00 assign (resid 55 and name HN )(resid 55 and name HG* ) 3.20 0.50 1.00 assign (resid 56 and name HN )(resid 56 and name HA ) 3.70 0.50 1.00 assign (resid 57 and name HN )(resid 57 and name HA ) 3.70 0.50 1.00 assign (resid 57 and name HN )(resid 57 and name HB2 ) 3.60 0.50 0.50 assign (resid 57 and name HN )(resid 57 and name HB1 ) 3.80 0.50 0.50 assign (resid 58 and name HN )(resid 58 and name HA ) 3.70 0.50 1.00 assign (resid 58 and name HN )(resid 58 and name HB* ) 3.70 0.50 1.00 assign (resid 59 and name HN )(resid 59 and name HB* ) 3.20 0.50 0.50 assign (resid 60 and name HN )(resid 60 and name HA ) 3.20 0.50 0.50 assign (resid 60 and name HN )(resid 60 and name HB ) 3.00 0.50 0.50 assign (resid 60 and name HN )(resid 60 and name HG* ) 3.20 0.50 0.50 assign (resid 61 and name HN )(resid 61 and name HA ) 3.20 0.50 0.50 assign (resid 61 and name HN )(resid 61 and name HB* ) 3.40 0.50 1.00 assign (resid 62 and name HN )(resid 62 and name HA ) 3.50 0.50 0.50 assign (resid 62 and name HN )(resid 62 and name HB* ) 3.50 0.50 0.50 assign (resid 63 and name HN )(resid 63 and name HB ) 3.70 0.50 1.00 assign (resid 63 and name HN )(resid 63 and name HG2* ) 4.00 0.50 1.50 assign (resid 65 and name HN )(resid 65 and name HA ) 3.40 0.50 1.00 assign (resid 66 and name HN )(resid 66 and name HA ) 3.70 0.50 1.00 assign (resid 66 and name HN )(resid 66 and name HB* ) 3.20 0.50 0.50 assign (resid 67 and name HN )(resid 67 and name HB* ) 3.20 0.50 1.00 assign (resid 68 and name HN )(resid 68 and name HA ) 3.20 0.50 0.50 assign (resid 68 and name HN )(resid 68 and name HD* ) 3.20 0.50 1.00 assign (resid 68 and name HA )(resid 68 and name HG ) 3.70 0.50 1.00 assign (resid 68 and name HA )(resid 68 and name HD* ) 3.70 0.50 1.50 assign (resid 69 and name HN )(resid 69 and name HA ) 3.50 0.50 0.50 assign (resid 69 and name HN )(resid 69 and name HB1 ) 3.50 0.50 0.50 assign (resid 69 and name HN )(resid 69 and name HB2 ) 3.50 0.50 0.50 assign (resid 70 and name HN )(resid 70 and name HA ) 4.00 0.50 1.00 assign (resid 70 and name HN )(resid 70 and name HB ) 3.20 0.50 0.50 assign (resid 70 and name HN )(resid 70 and name HG2* ) 4.00 0.50 1.50 assign (resid 70 and name HA )(resid 70 and name HB ) 3.70 0.50 1.00 assign (resid 71 and name HN )(resid 71 and name HA ) 3.70 0.50 1.00 assign (resid 71 and name HN )(resid 71 and name HB2 ) 3.20 0.50 0.50 assign (resid 71 and name HN )(resid 71 and name HB1 ) 3.80 0.50 0.50 assign (resid 72 and name HN )(resid 72 and name HA ) 3.50 0.50 0.50 assign (resid 72 and name HN )(resid 72 and name HB ) 3.20 0.50 0.50 assign (resid 72 and name HN )(resid 72 and name HG2* ) 4.00 0.50 1.50 assign (resid 72 and name HA )(resid 72 and name HB ) 3.70 0.50 1.00 assign (resid 72 and name HA )(resid 72 and name HG2* ) 3.20 0.50 1.50 assign (resid 73 and name HN )(resid 73 and name HA ) 3.40 0.50 0.50 assign (resid 74 and name HN )(resid 74 and name HA ) 3.50 0.50 1.00 assign (resid 74 and name HN )(resid 74 and name HB ) 4.00 0.50 1.00 assign (resid 74 and name HN )(resid 74 and name HG2* ) 3.70 0.50 1.00 assign (resid 75 and name HN )(resid 75 and name HA ) 3.70 0.50 1.00 assign (resid 75 and name HN )(resid 75 and name HB* ) 3.70 0.50 1.00 assign (resid 83 and name HN )(resid 83 and name HA ) 3.70 0.50 1.00 assign (resid 83 and name HN )(resid 83 and name HB1 ) 3.80 0.50 0.50 assign (resid 83 and name HN )(resid 83 and name HB2 ) 3.40 0.50 0.50 assign (resid 84 and name HN )(resid 84 and name HA ) 4.00 0.50 1.00 assign (resid 84 and name HN )(resid 84 and name HB* ) 3.70 0.50 1.00 assign (resid 85 and name HN )(resid 85 and name HB* ) 3.40 0.50 0.50 assign (resid 86 and name HN )(resid 86 and name HA ) 3.20 0.50 0.50 assign (resid 87 and name HN )(resid 87 and name HA ) 3.70 0.50 1.00 assign (resid 87 and name HN )(resid 87 and name HG2* ) 3.70 0.50 1.00 assign (resid 87 and name HA )(resid 87 and name HB ) 3.20 0.50 0.50 assign (resid 89 and name HN )(resid 89 and name HG2* ) 4.00 0.50 2.00 assign (resid 89 and name HA )(resid 89 and name HB ) 4.00 0.50 1.50 assign (resid 90 and name HN )(resid 90 and name HA ) 3.70 0.50 1.00 assign (resid 90 and name HN )(resid 90 and name HB2 ) 3.40 0.50 0.50 assign (resid 90 and name HN )(resid 90 and name HB1 ) 3.40 0.50 0.50 assign (resid 91 and name HN )(resid 91 and name HB* ) 3.20 0.50 0.50 assign (resid 93 and name HN )(resid 93 and name HA ) 3.40 0.50 0.50 assign (resid 93 and name HN )(resid 93 and name HB1 ) 3.20 0.50 0.50 assign (resid 93 and name HN )(resid 93 and name HB2 ) 3.20 0.50 0.50 assign (resid 94 and name HN )(resid 94 and name HB ) 3.50 0.50 0.50 assign (resid 94 and name HA )(resid 94 and name HB ) 3.00 0.50 0.50 assign (resid 96 and name HN )(resid 96 and name HA ) 3.50 0.50 0.50 assign (resid 96 and name HN )(resid 96 and name HB2 ) 3.00 0.50 0.50 assign (resid 96 and name HN )(resid 96 and name HB1 ) 3.60 0.50 0.50 assign (resid 97 and name HA )(resid 97 and name HG* ) 3.20 0.50 0.50 assign (resid 97 and name HN )(resid 97 and name HA ) 3.50 0.50 0.50 assign (resid 98 and name HN )(resid 98 and name HA ) 3.20 0.50 0.50 assign (resid 98 and name HN )(resid 98 and name HB* ) 4.00 0.50 1.50 assign (resid 99 and name HN )(resid 99 and name HA ) 3.00 0.50 1.00 assign (resid 99 and name HN )(resid 99 and name HB* ) 3.70 0.50 1.00 assign (resid 99 and name HN )(resid 99 and name HG* ) 4.00 0.50 1.00 assign (resid 100 and name HN )(resid 100 and name HA ) 3.70 0.50 1.00 assign (resid 100 and name HN )(resid 100 and name HB* ) 3.00 0.50 1.00 assign (resid 103 and name HN )(resid 103 and name HA ) 3.50 0.50 0.50 assign (resid 103 and name HN )(resid 103 and name HB* ) 3.50 0.50 1.00 assign (resid 104 and name HN )(resid 104 and name HA ) 4.00 0.50 0.50 assign (resid 104 and name HN )(resid 104 and name HB* ) 3.70 0.50 0.50 assign (resid 105 and name HN )(resid 105 and name HB* ) 3.20 0.50 1.00 assign (resid 109 and name HN )(resid 109 and name HA ) 3.20 0.50 0.50 assign (resid 110 and name HN )(resid 110 and name HB* ) 3.20 0.50 0.50 remarks Group 10a: from backcal restraints assign (resid 4 and name HN )(resid 2 and name HB* ) 4.00 0.30 1.00 assign (resid 6 and name HN )(resid 4 and name HA ) 4.00 0.30 1.00 assign (resid 28 and name HN )(resid 26 and name HN ) 4.00 0.50 1.00 assign (resid 5 and name HN )(resid 2 and name HB* ) 4.00 0.30 1.00 assign (resid 3 and name HN )(resid 100 and name HE* ) 4.30 0.30 2.00 assign (resid 3 and name HE1 )(resid 49 and name HA ) 4.30 0.30 2.00 assign (resid 7 and name HN )(resid 3 and name HE3 ) 4.30 0.30 2.00 assign (resid 6 and name HE* )(resid 104 and name HN ) 4.00 0.50 1.50 assign (resid 16 and name HN )(resid 14 and name HA ) 4.00 0.50 1.00 assign (resid 32 and name HN )(resid 30 and name HG* ) 4.50 0.30 2.00 assign (resid 33 and name HN )(resid 30 and name HG* ) 4.50 0.30 2.00 assign (resid 47 and name HN )(resid 44 and name HB* ) 3.80 0.30 2.00 assign (resid 55 and name HN )(resid 53 and name HG2* ) 4.00 0.30 2.00 assign (resid 55 and name HN )(resid 96 and name HB* ) 4.00 0.20 3.00 assign (resid 97 and name HN )(resid 103 and name HD2 ) 4.30 0.30 2.00
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