NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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598115 |
2n7m   |
25811 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!! U4U6 exchangeable NOEs !LOWER U4 5' SL - light green assign (resi 40 and name H3 ) (resi 34 and name H1 ) 4.50 1.7 0.9 assign (resi 40 and name H3 ) (resi 36 and name H3 ) 4.50 1.3 0.7 assign (resi 40 and name H3 ) (resi 39 and name H1 ) 4.50 1.7 0.9 assign (resi 36 and name H3 ) (resi 39 and name H1 ) 4.50 1.7 0.9 assign (resi 33 and name H1 ) (resi 34 and name H1 ) 4.50 1.7 0.9 !dark blue assign (resi 62 and name H3 ) (resi 63 and name H1 ) 4.50 1.7 0.9 assign (resi 62 and name H3 ) (resi 61 and name H1 ) 4.50 1.7 0.9 assign (resi 68 and name H3 ) (resi 61 and name H1 ) 4.50 1.7 0.9 assign (resi 62 and name H3 ) (resi 68 and name H3 ) 4.50 1.7 0.9 assign (resi 59 and name H3 ) (resi 60 and name H1 ) 4.50 1.7 0.9 assign (resi 60 and name H1 ) (resi 61 and name H1 ) 4.50 1.7 0.9 assign (resi 59 and name H3 ) (resi 71 and name H1 ) 4.50 1.7 0.9 assign (resi 71 and name H1 ) (resi 57 and name H1 ) 4.50 1.7 0.9 !purple assign (resi 13 and name H1 ) (resi 12 and name H1 ) 4.50 1.7 0.9 assign (resi 14 and name H1 ) (resi 13 and name H1 ) 4.50 1.7 0.9 assign (resi 76 and name H3 ) (resi 14 and name H1 ) 4.50 1.7 0.9 !assign (resi 76 and name H3 ) (resi 75 and name H3 ) 4.50 1.7 0.9 !teal assign (resi 48 and name H3 ) (resi 49 and name H1 ) 4.50 1.7 0.9 assign (resi 47 and name H3 ) (resi 48 and name H3 ) 4.50 1.7 0.9 assign (resi 26 and name H3 ) (resi 45 and name H1 ) 4.50 1.7 0.9 assign (resi 26 and name H3 ) (resi 47 and name H3 ) 4.50 1.7 0.9 assign (resi 49 and name H1 ) (resi 21 and name H1 ) 4.50 1.7 0.9 assign (resi 50 and name H3 ) (resi 21 and name H1 ) 4.50 1.7 0.9 assign (resi 50 and name H3 ) (resi 49 and name H1 ) 4.50 1.7 0.9 !orange assign (resi 89 and name H1 ) (resi 1 and name H1 ) 4.50 1.7 0.9 assign (resi 88 and name H1 ) (resi 89 and name H1 ) 4.50 1.7 0.9 assign (resi 4 and name H3 ) (resi 5 and name H3 ) 4.50 1.7 0.9 assign (resi 4 and name H3 ) (resi 88 and name H1 ) 4.50 1.7 0.9 assign (resi 5 and name H3 ) (resi 85 and name H3 ) 4.50 1.7 0.9 assign (resi 85 and name H3 ) (resi 7 and name H3 ) 4.50 1.7 0.9 assign (resi 7 and name H3 ) (resi 8 and name H1 ) 4.50 1.7 0.9 assign (resi 8 and name H1 ) (resi 82 and name H1 ) 4.50 1.7 0.9 assign (resi 82 and name H1 ) (resi 81 and name H3 ) 4.50 1.7 0.9 !!U-H3 to A-H2 assign (resi 4 and name H3 ) (resi 87 and name H2 ) 2.50 1.0 0.5 assign (resi 5 and name H3 ) (resi 86 and name H2 ) 2.50 1.0 0.5 assign (resi 85 and name H3 ) (resi 6 and name H2 ) 2.50 1.0 0.5 assign (resi 7 and name H3 ) (resi 84 and name H2 ) 2.50 1.0 0.5 assign (resi 81 and name H3 ) (resi 10 and name H2 ) 2.50 1.0 0.5 assign (resi 76 and name H3 ) (resi 15 and name H2 ) 2.50 1.0 0.5 assign (resi 75 and name H3 ) (resi 16 and name H2 ) 2.50 1.0 0.5 assign (resi 52 and name H3 ) (resi 19 and name H2 ) 2.50 1.0 0.5 assign (resi 48 and name H3 ) (resi 23 and name H2 ) 2.50 1.0 0.5 assign (resi 47 and name H3 ) (resi 25 and name H2 ) 2.50 1.0 0.5 assign (resi 26 and name H3 ) (resi 46 and name H2 ) 2.50 1.0 0.5 assign (resi 40 and name H3 ) (resi 35 and name H2 ) 2.50 1.0 0.5 assign (resi 62 and name H3 ) (resi 67 and name H2 ) 2.50 1.0 0.5 assign (resi 59 and name H3 ) (resi 70 and name H2 ) 2.50 1.0 0.5 !!#### humanU4_Kturn.dist_nonexchangeable.out !!#### Output from nmr_structure_tools !!#### Created Thu Feb 27 10:16:45 2014 !! !!#### 99 nonexchangeable atoms selected in humanU4_Kturn for measuring !!inter-atomic distances !!#### Results: 518 possible NOEs of <5.5 A assign (resi 27 and name H5 ) (resi 27 and name H6 ) 2.44 2.0 2.0 assign (resi 27 and name H5 ) (resi 27 and name H1' ) 5.40 2.0 2.0 assign (resi 27 and name H5 ) (resi 27 and name H2' ) 4.45 2.0 2.0 assign (resi 27 and name H5 ) (resi 27 and name H3' ) 4.78 2.0 2.0 assign (resi 27 and name H5 ) (resi 28 and name H8 ) 4.38 2.0 2.0 assign (resi 27 and name H5 ) (resi 28 and name H5' ) 5.46 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H1' ) 3.66 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H2' ) 2.92 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H3' ) 2.64 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H4' ) 4.25 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H5' ) 4.50 2.0 2.0 assign (resi 27 and name H6 ) (resi 27 and name H5'' ) 4.03 2.0 2.0 assign (resi 27 and name H6 ) (resi 28 and name H8 ) 3.89 2.0 2.0 assign (resi 27 and name H6 ) (resi 28 and name H5' ) 4.08 2.0 2.0 assign (resi 27 and name H6 ) (resi 28 and name H5'' ) 5.45 2.0 2.0 assign (resi 27 and name H1' ) (resi 27 and name H2' ) 2.90 2.0 2.0 assign (resi 27 and name H1' ) (resi 27 and name H3' ) 3.93 2.0 2.0 assign (resi 27 and name H1' ) (resi 27 and name H4' ) 3.03 2.0 2.0 assign (resi 27 and name H1' ) (resi 27 and name H5' ) 4.67 2.0 2.0 assign (resi 27 and name H1' ) (resi 27 and name H5'' ) 5.02 2.0 2.0 assign (resi 27 and name H1' ) (resi 28 and name H8 ) 5.10 2.0 2.0 assign (resi 27 and name H1' ) (resi 28 and name H5' ) 4.94 2.0 2.0 assign (resi 27 and name H2' ) (resi 27 and name H3' ) 2.31 1.5 2.0 assign (resi 27 and name H2' ) (resi 27 and name H4' ) 3.83 2.0 2.0 assign (resi 27 and name H2' ) (resi 27 and name H5' ) 5.34 2.0 2.0 assign (resi 27 and name H2' ) (resi 27 and name H5'' ) 4.64 2.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H8 ) 2.31 1.5 2.0 assign (resi 27 and name H2' ) (resi 28 and name H1' ) 4.08 2.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H2' ) 5.26 2.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H3' ) 4.60 2.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H4' ) 4.35 2.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H5' ) 2.21 1.0 2.0 assign (resi 27 and name H2' ) (resi 28 and name H5'' ) 3.94 2.0 2.0 assign (resi 27 and name H3' ) (resi 27 and name H4' ) 3.03 2.0 2.0 assign (resi 27 and name H3' ) (resi 27 and name H5' ) 3.75 2.0 2.0 assign (resi 27 and name H3' ) (resi 27 and name H5'' ) 2.55 2.0 2.0 assign (resi 27 and name H3' ) (resi 28 and name H8 ) 3.50 2.0 2.0 assign (resi 27 and name H3' ) (resi 28 and name H3' ) 5.35 2.0 2.0 assign (resi 27 and name H3' ) (resi 28 and name H4' ) 4.95 2.0 2.0 assign (resi 27 and name H3' ) (resi 28 and name H5' ) 2.31 1.0 2.0 assign (resi 27 and name H3' ) (resi 28 and name H5'' ) 3.70 2.0 2.0 assign (resi 27 and name H4' ) (resi 27 and name H5' ) 2.26 1.0 2.0 assign (resi 27 and name H4' ) (resi 27 and name H5'' ) 2.64 1.5 2.0 assign (resi 27 and name H4' ) (resi 28 and name H5' ) 4.75 2.0 2.0 assign (resi 27 and name H5' ) (resi 27 and name H5'' ) 1.77 0.5 2.0 assign (resi 27 and name H5'' ) (resi 28 and name H5' ) 4.66 2.0 2.0 assign (resi 28 and name H2 ) (resi 28 and name H1' ) 4.65 2.0 2.0 assign (resi 28 and name H2 ) (resi 28 and name H2' ) 5.17 2.0 2.0 assign (resi 28 and name H2 ) (resi 29 and name H1' ) 5.04 2.0 2.0 assign (resi 28 and name H2 ) (resi 32 and name H2 ) 4.64 2.0 2.0 assign (resi 28 and name H2 ) (resi 44 and name H2 ) 2.33 1.0 2.0 assign (resi 28 and name H2 ) (resi 44 and name H1' ) 4.22 2.0 2.0 assign (resi 28 and name H2 ) (resi 44 and name H2' ) 5.07 2.0 2.0 assign (resi 28 and name H8 ) (resi 28 and name H1' ) 3.75 2.0 2.0 assign (resi 28 and name H8 ) (resi 28 and name H2' ) 3.58 2.0 2.0 assign (resi 28 and name H8 ) (resi 28 and name H3' ) 2.70 1.5 2.0 assign (resi 28 and name H8 ) (resi 28 and name H4' ) 3.89 2.0 2.0 assign (resi 28 and name H8 ) (resi 28 and name H5' ) 2.02 1.0 2.0 assign (resi 28 and name H8 ) (resi 28 and name H5'' ) 2.86 1.5 2.0 assign (resi 28 and name H8 ) (resi 29 and name H8 ) 4.55 2.0 2.0 assign (resi 28 and name H1' ) (resi 28 and name H2' ) 2.78 1.5 2.0 assign (resi 28 and name H1' ) (resi 28 and name H3' ) 3.98 2.0 2.0 assign (resi 28 and name H1' ) (resi 28 and name H4' ) 3.60 2.0 2.0 assign (resi 28 and name H1' ) (resi 28 and name H5' ) 4.36 2.0 2.0 assign (resi 28 and name H1' ) (resi 28 and name H5'' ) 5.07 2.0 2.0 assign (resi 28 and name H1' ) (resi 29 and name H8 ) 5.10 2.0 2.0 assign (resi 28 and name H1' ) (resi 29 and name H1' ) 5.20 2.0 2.0 assign (resi 28 and name H1' ) (resi 32 and name H2 ) 5.35 2.0 2.0 assign (resi 28 and name H1' ) (resi 44 and name H2 ) 4.76 2.0 2.0 assign (resi 28 and name H2' ) (resi 28 and name H3' ) 2.35 1.0 2.0 assign (resi 28 and name H2' ) (resi 28 and name H4' ) 3.91 2.0 2.0 assign (resi 28 and name H2' ) (resi 28 and name H5' ) 4.65 2.0 2.0 assign (resi 28 and name H2' ) (resi 28 and name H5'' ) 4.45 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H8 ) 2.59 1.5 2.0 assign (resi 28 and name H2' ) (resi 29 and name H1' ) 3.57 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H2' ) 5.18 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H3' ) 4.91 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H4' ) 4.34 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H5' ) 4.84 2.0 2.0 assign (resi 28 and name H2' ) (resi 29 and name H5'' ) 4.50 2.0 2.0 assign (resi 28 and name H2' ) (resi 44 and name H2 ) 5.03 2.0 2.0 assign (resi 28 and name H3' ) (resi 28 and name H4' ) 2.91 1.5 2.0 assign (resi 28 and name H3' ) (resi 28 and name H5' ) 3.12 2.0 2.0 assign (resi 28 and name H3' ) (resi 28 and name H5'' ) 2.30 1.0 2.0 assign (resi 28 and name H3' ) (resi 29 and name H8 ) 3.55 2.0 2.0 assign (resi 28 and name H3' ) (resi 29 and name H5' ) 4.89 2.0 2.0 assign (resi 28 and name H3' ) (resi 29 and name H5'' ) 4.68 2.0 2.0 assign (resi 28 and name H4' ) (resi 28 and name H5' ) 2.90 1.5 2.0 assign (resi 28 and name H4' ) (resi 28 and name H5'' ) 2.69 1.5 2.0 assign (resi 28 and name H5' ) (resi 28 and name H5'' ) 1.77 0.5 2.0 assign (resi 29 and name H8 ) (resi 29 and name H1' ) 3.69 2.0 2.0 assign (resi 29 and name H8 ) (resi 29 and name H2' ) 3.60 2.0 2.0 assign (resi 29 and name H8 ) (resi 29 and name H3' ) 3.45 2.0 2.0 assign (resi 29 and name H8 ) (resi 29 and name H4' ) 4.58 2.0 2.0 assign (resi 29 and name H8 ) (resi 29 and name H5' ) 4.36 2.0 2.0 assign (resi 29 and name H8 ) (resi 29 and name H5'' ) 4.96 2.0 2.0 assign (resi 29 and name H1' ) (resi 29 and name H2' ) 2.92 1.5 2.0 assign (resi 29 and name H1' ) (resi 29 and name H3' ) 3.90 2.0 2.0 assign (resi 29 and name H1' ) (resi 29 and name H4' ) 2.89 1.5 2.0 assign (resi 29 and name H1' ) (resi 29 and name H5' ) 4.92 2.0 2.0 assign (resi 29 and name H1' ) (resi 29 and name H5'' ) 4.70 2.0 2.0 assign (resi 29 and name H1' ) (resi 30 and name H1' ) 5.20 2.0 2.0 assign (resi 29 and name H1' ) (resi 30 and name H4' ) 5.08 2.0 2.0 assign (resi 29 and name H1' ) (resi 30 and name H5'' ) 4.95 2.0 2.0 assign (resi 29 and name H1' ) (resi 32 and name H1' ) 4.38 2.0 2.0 assign (resi 29 and name H1' ) (resi 44 and name H2 ) 3.66 2.0 2.0 assign (resi 29 and name H2' ) (resi 29 and name H3' ) 2.34 1.0 2.0 assign (resi 29 and name H2' ) (resi 29 and name H4' ) 3.78 2.0 2.0 assign (resi 29 and name H2' ) (resi 29 and name H5' ) 4.55 2.0 2.0 assign (resi 29 and name H2' ) (resi 29 and name H5'' ) 5.32 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H5 ) 4.85 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H6 ) 3.43 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H1' ) 3.48 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H2' ) 5.03 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H3' ) 5.14 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H4' ) 3.70 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H5' ) 4.62 2.0 2.0 assign (resi 29 and name H2' ) (resi 30 and name H5'' ) 3.60 2.0 2.0 assign (resi 29 and name H2' ) (resi 31 and name H4' ) 5.32 2.0 2.0 assign (resi 29 and name H3' ) (resi 29 and name H4' ) 3.01 2.0 2.0 assign (resi 29 and name H3' ) (resi 29 and name H5' ) 2.38 1.0 2.0 assign (resi 29 and name H3' ) (resi 29 and name H5'' ) 3.65 2.0 2.0 assign (resi 29 and name H3' ) (resi 30 and name H5 ) 5.16 2.0 2.0 assign (resi 29 and name H3' ) (resi 30 and name H6 ) 4.27 2.0 2.0 assign (resi 29 and name H3' ) (resi 30 and name H4' ) 5.36 2.0 2.0 assign (resi 29 and name H3' ) (resi 30 and name H5' ) 5.18 2.0 2.0 assign (resi 29 and name H3' ) (resi 30 and name H5'' ) 4.22 2.0 2.0 assign (resi 29 and name H4' ) (resi 29 and name H5' ) 2.77 1.5 2.0 assign (resi 29 and name H4' ) (resi 29 and name H5'' ) 2.20 1.0 2.0 assign (resi 29 and name H4' ) (resi 30 and name H5'' ) 4.45 2.0 2.0 assign (resi 29 and name H4' ) (resi 32 and name H1' ) 4.90 2.0 2.0 assign (resi 29 and name H5' ) (resi 29 and name H5'' ) 1.77 0.5 2.0 assign (resi 30 and name H5 ) (resi 30 and name H6 ) 2.38 1.0 2.0 assign (resi 30 and name H5 ) (resi 30 and name H1' ) 5.33 2.0 2.0 assign (resi 30 and name H5 ) (resi 30 and name H2' ) 4.36 2.0 2.0 assign (resi 30 and name H6 ) (resi 30 and name H1' ) 3.60 2.0 2.0 assign (resi 30 and name H6 ) (resi 30 and name H2' ) 2.64 1.5 2.0 assign (resi 30 and name H6 ) (resi 30 and name H3' ) 3.47 2.0 2.0 assign (resi 30 and name H6 ) (resi 30 and name H4' ) 4.37 2.0 2.0 assign (resi 30 and name H6 ) (resi 30 and name H5' ) 4.20 2.0 2.0 assign (resi 30 and name H6 ) (resi 30 and name H5'' ) 4.58 2.0 2.0 assign (resi 30 and name H1' ) (resi 30 and name H2' ) 3.02 2.0 2.0 assign (resi 30 and name H1' ) (resi 30 and name H3' ) 3.96 2.0 2.0 assign (resi 30 and name H1' ) (resi 30 and name H4' ) 2.91 1.5 2.0 assign (resi 30 and name H1' ) (resi 30 and name H5' ) 4.88 2.0 2.0 assign (resi 30 and name H1' ) (resi 30 and name H5'' ) 4.64 2.0 2.0 assign (resi 30 and name H1' ) (resi 31 and name H1' ) 5.36 2.0 2.0 assign (resi 30 and name H1' ) (resi 31 and name H4' ) 5.25 2.0 2.0 assign (resi 30 and name H2' ) (resi 30 and name H3' ) 2.31 1.0 2.0 assign (resi 30 and name H2' ) (resi 30 and name H4' ) 3.93 2.0 2.0 assign (resi 30 and name H2' ) (resi 30 and name H5' ) 4.29 2.0 2.0 assign (resi 30 and name H2' ) (resi 30 and name H5'' ) 5.12 2.0 2.0 assign (resi 30 and name H3' ) (resi 30 and name H4' ) 2.94 1.5 2.0 assign (resi 30 and name H3' ) (resi 30 and name H5' ) 2.29 1.0 2.0 assign (resi 30 and name H3' ) (resi 30 and name H5'' ) 3.60 2.0 2.0 assign (resi 30 and name H3' ) (resi 31 and name H4' ) 4.80 2.0 2.0 assign (resi 30 and name H3' ) (resi 31 and name H5' ) 5.09 2.0 2.0 assign (resi 30 and name H3' ) (resi 31 and name H5'' ) 3.56 2.0 2.0 assign (resi 30 and name H4' ) (resi 30 and name H5' ) 2.67 2.0 2.0 assign (resi 30 and name H4' ) (resi 30 and name H5'' ) 2.23 1.0 2.0 assign (resi 30 and name H4' ) (resi 31 and name H1' ) 4.02 2.0 2.0 assign (resi 30 and name H4' ) (resi 31 and name H3' ) 5.19 2.0 2.0 assign (resi 30 and name H4' ) (resi 31 and name H4' ) 2.52 2.0 2.0 assign (resi 30 and name H4' ) (resi 31 and name H5' ) 4.33 2.0 2.0 assign (resi 30 and name H4' ) (resi 31 and name H5'' ) 2.90 1.5 2.0 assign (resi 30 and name H5' ) (resi 30 and name H5'' ) 1.77 0.5 2.0 assign (resi 30 and name H5' ) (resi 31 and name H4' ) 3.57 2.0 2.0 assign (resi 30 and name H5' ) (resi 31 and name H5' ) 4.03 2.0 2.0 assign (resi 30 and name H5' ) (resi 31 and name H5'' ) 2.30 1.0 2.0 assign (resi 30 and name H5'' ) (resi 31 and name H1' ) 5.42 2.0 2.0 assign (resi 30 and name H5'' ) (resi 31 and name H3' ) 5.43 2.0 2.0 assign (resi 30 and name H5'' ) (resi 31 and name H4' ) 2.66 1.5 2.0 assign (resi 30 and name H5'' ) (resi 31 and name H5' ) 4.24 2.0 2.0 assign (resi 30 and name H5'' ) (resi 31 and name H5'' ) 2.65 1.5 2.0 assign (resi 31 and name H8 ) (resi 31 and name H1' ) 3.81 2.0 2.0 assign (resi 31 and name H8 ) (resi 31 and name H2' ) 2.89 1.5 2.0 assign (resi 31 and name H8 ) (resi 31 and name H3' ) 2.20 1.0 2.0 assign (resi 31 and name H8 ) (resi 31 and name H4' ) 4.40 2.0 2.0 assign (resi 31 and name H8 ) (resi 31 and name H5' ) 3.67 2.5 2.0 assign (resi 31 and name H8 ) (resi 31 and name H5'' ) 4.89 2.0 2.0 assign (resi 31 and name H1' ) (resi 31 and name H2' ) 2.80 1.5 2.0 assign (resi 31 and name H1' ) (resi 31 and name H3' ) 3.87 2.0 2.0 assign (resi 31 and name H1' ) (resi 31 and name H4' ) 3.22 2.0 2.0 assign (resi 31 and name H1' ) (resi 31 and name H5' ) 4.99 2.0 2.0 assign (resi 31 and name H1' ) (resi 31 and name H5'' ) 4.95 2.0 2.0 assign (resi 31 and name H1' ) (resi 32 and name H8 ) 4.50 2.0 2.0 assign (resi 31 and name H2' ) (resi 31 and name H3' ) 2.39 1.0 2.0 assign (resi 31 and name H2' ) (resi 31 and name H4' ) 3.75 2.0 2.0 assign (resi 31 and name H2' ) (resi 31 and name H5' ) 4.55 2.0 2.0 assign (resi 31 and name H2' ) (resi 31 and name H5'' ) 5.33 2.0 2.0 assign (resi 31 and name H2' ) (resi 32 and name H8 ) 3.13 1.5 2.0 assign (resi 31 and name H2' ) (resi 32 and name H3' ) 5.34 2.0 2.0 assign (resi 31 and name H2' ) (resi 32 and name H5' ) 4.02 2.0 2.0 assign (resi 31 and name H2' ) (resi 32 and name H5'' ) 4.69 2.0 2.0 assign (resi 31 and name H3' ) (resi 31 and name H4' ) 3.00 2.0 2.0 assign (resi 31 and name H3' ) (resi 31 and name H5' ) 2.36 1.0 2.0 assign (resi 31 and name H3' ) (resi 31 and name H5'' ) 3.63 2.0 2.0 assign (resi 31 and name H3' ) (resi 32 and name H8 ) 5.28 2.0 2.0 assign (resi 31 and name H3' ) (resi 32 and name H5' ) 5.40 2.0 2.0 assign (resi 31 and name H3' ) (resi 32 and name H5'' ) 5.32 2.0 2.0 assign (resi 31 and name H4' ) (resi 31 and name H5' ) 2.80 1.5 2.0 assign (resi 31 and name H4' ) (resi 31 and name H5'' ) 2.21 1.0 2.0 assign (resi 31 and name H5' ) (resi 31 and name H5'' ) 1.77 0.5 2.0 assign (resi 32 and name H2 ) (resi 32 and name H1' ) 4.66 2.0 2.0 assign (resi 32 and name H2 ) (resi 32 and name H2' ) 4.94 2.0 2.0 assign (resi 32 and name H2 ) (resi 33 and name H1' ) 3.88 2.0 2.0 assign (resi 32 and name H2 ) (resi 44 and name H2 ) 3.15 2.0 2.0 assign (resi 32 and name H2 ) (resi 44 and name H1' ) 5.36 2.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H1' ) 3.78 2.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H2' ) 3.85 2.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H3' ) 2.52 1.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H4' ) 4.07 2.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H5' ) 2.52 1.0 2.0 assign (resi 32 and name H8 ) (resi 32 and name H5'' ) 3.94 2.0 2.0 assign (resi 32 and name H8 ) (resi 33 and name H8 ) 3.35 2.0 2.0 assign (resi 32 and name H8 ) (resi 33 and name H1' ) 5.36 2.0 2.0 assign (resi 32 and name H1' ) (resi 32 and name H2' ) 2.73 1.5 2.0 assign (resi 32 and name H1' ) (resi 32 and name H3' ) 3.82 2.0 2.0 assign (resi 32 and name H1' ) (resi 32 and name H4' ) 3.63 2.0 2.0 assign (resi 32 and name H1' ) (resi 32 and name H5' ) 4.84 2.0 2.0 assign (resi 32 and name H1' ) (resi 32 and name H5'' ) 5.22 2.0 2.0 assign (resi 32 and name H1' ) (resi 33 and name H8 ) 5.10 2.0 2.0 assign (resi 32 and name H1' ) (resi 33 and name H1' ) 5.50 2.0 2.0 assign (resi 32 and name H1' ) (resi 33 and name H5'' ) 4.87 2.0 2.0 assign (resi 32 and name H1' ) (resi 44 and name H2 ) 5.10 2.0 2.0 assign (resi 32 and name H2' ) (resi 32 and name H3' ) 2.39 1.0 2.0 assign (resi 32 and name H2' ) (resi 32 and name H4' ) 3.75 2.0 2.0 assign (resi 32 and name H2' ) (resi 32 and name H5' ) 4.45 2.0 2.0 assign (resi 32 and name H2' ) (resi 32 and name H5'' ) 5.23 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H8 ) 3.06 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H1' ) 3.84 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H3' ) 4.69 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H4' ) 3.35 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H5' ) 3.92 2.0 2.0 assign (resi 32 and name H2' ) (resi 33 and name H5'' ) 2.40 1.0 2.0 assign (resi 32 and name H3' ) (resi 32 and name H4' ) 2.96 1.5 2.0 assign (resi 32 and name H3' ) (resi 32 and name H5' ) 2.24 1.0 2.0 assign (resi 32 and name H3' ) (resi 32 and name H5'' ) 3.43 2.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H8 ) 2.13 1.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H1' ) 4.94 2.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H3' ) 5.00 2.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H4' ) 5.02 2.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H5' ) 4.58 2.0 2.0 assign (resi 32 and name H3' ) (resi 33 and name H5'' ) 3.59 2.0 2.0 assign (resi 32 and name H4' ) (resi 32 and name H5' ) 2.85 1.5 2.0 assign (resi 32 and name H4' ) (resi 32 and name H5'' ) 2.18 1.0 2.0 assign (resi 32 and name H4' ) (resi 33 and name H8 ) 5.07 2.0 2.0 assign (resi 32 and name H4' ) (resi 33 and name H5'' ) 4.69 2.0 2.0 assign (resi 32 and name H5' ) (resi 32 and name H5'' ) 1.77 0.5 2.0 assign (resi 32 and name H5' ) (resi 33 and name H8 ) 4.36 2.0 2.0 ! added 0.5A G.C. assign (resi 32 and name H5'' ) (resi 33 and name H8 ) 5.37 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H1' ) 3.55 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H2' ) 4.34 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H3' ) 3.40 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H4' ) 4.34 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H5' ) 4.18 2.0 2.0 assign (resi 33 and name H8 ) (resi 33 and name H5'' ) 3.83 2.0 2.0 assign (resi 33 and name H8 ) (resi 34 and name H8 ) 4.85 2.0 2.0 assign (resi 33 and name H1' ) (resi 33 and name H2' ) 2.76 1.5 2.0 assign (resi 33 and name H1' ) (resi 33 and name H3' ) 3.78 2.0 2.0 assign (resi 33 and name H1' ) (resi 33 and name H4' ) 3.46 2.0 2.0 assign (resi 33 and name H1' ) (resi 33 and name H5' ) 5.18 2.0 2.0 assign (resi 33 and name H1' ) (resi 33 and name H5'' ) 4.78 2.0 2.0 assign (resi 33 and name H1' ) (resi 34 and name H8 ) 5.05 2.0 2.0 assign (resi 33 and name H1' ) (resi 43 and name H1' ) 5.34 2.0 2.0 assign (resi 33 and name H2' ) (resi 33 and name H3' ) 2.39 1.0 2.0 assign (resi 33 and name H2' ) (resi 33 and name H4' ) 3.80 2.0 2.0 assign (resi 33 and name H2' ) (resi 33 and name H5' ) 4.84 2.0 2.0 assign (resi 33 and name H2' ) (resi 33 and name H5'' ) 5.41 2.0 2.0 assign (resi 33 and name H2' ) (resi 34 and name H8 ) 2.64 1.5 2.0 assign (resi 33 and name H2' ) (resi 34 and name H1' ) 3.27 2.0 2.0 assign (resi 33 and name H2' ) (resi 34 and name H2' ) 4.75 2.0 2.0 assign (resi 33 and name H2' ) (resi 34 and name H4' ) 4.06 2.0 2.0 assign (resi 33 and name H2' ) (resi 34 and name H5' ) 5.38 2.0 2.0 assign (resi 33 and name H2' ) (resi 34 and name H5'' ) 4.63 2.0 2.0 assign (resi 33 and name H3' ) (resi 33 and name H4' ) 3.01 2.0 2.0 assign (resi 33 and name H3' ) (resi 33 and name H5' ) 2.76 1.5 2.0 assign (resi 33 and name H3' ) (resi 33 and name H5'' ) 3.76 2.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H8 ) 2.20 1.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H1' ) 5.06 2.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H2' ) 5.18 2.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H4' ) 5.09 2.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H5' ) 5.31 2.0 2.0 assign (resi 33 and name H3' ) (resi 34 and name H5'' ) 4.55 2.0 2.0 assign (resi 33 and name H4' ) (resi 33 and name H5' ) 2.51 1.5 2.0 assign (resi 33 and name H4' ) (resi 33 and name H5'' ) 2.35 1.0 2.0 assign (resi 33 and name H4' ) (resi 34 and name H8 ) 5.02 2.0 2.0 assign (resi 33 and name H4' ) (resi 34 and name H5'' ) 4.95 2.0 2.0 assign (resi 33 and name H5' ) (resi 33 and name H5'' ) 1.77 0.5 2.0 assign (resi 33 and name H5' ) (resi 34 and name H8 ) 4.72 2.0 2.0 assign (resi 33 and name H5' ) (resi 34 and name H5'' ) 5.36 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H1' ) 3.75 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H2' ) 3.30 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H3' ) 5.12 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H4' ) 4.61 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H5' ) 4.50 2.0 2.0 assign (resi 34 and name H8 ) (resi 34 and name H5'' ) 4.50 2.0 2.0 assign (resi 34 and name H1' ) (resi 34 and name H2' ) 3.05 2.0 2.0 assign (resi 34 and name H1' ) (resi 34 and name H3' ) 3.70 2.0 2.0 assign (resi 34 and name H1' ) (resi 34 and name H4' ) 3.23 2.0 2.0 assign (resi 34 and name H1' ) (resi 34 and name H5' ) 4.70 2.0 2.0 assign (resi 34 and name H1' ) (resi 34 and name H5'' ) 4.85 2.0 2.0 assign (resi 34 and name H2' ) (resi 34 and name H3' ) 2.42 1.0 2.0 assign (resi 34 and name H2' ) (resi 34 and name H4' ) 3.70 2.0 2.0 assign (resi 34 and name H2' ) (resi 34 and name H5' ) 3.02 2.0 2.0 assign (resi 34 and name H2' ) (resi 34 and name H5'' ) 4.15 2.0 2.0 assign (resi 34 and name H3' ) (resi 34 and name H4' ) 2.67 1.5 2.0 assign (resi 34 and name H3' ) (resi 34 and name H5' ) 2.23 1.0 2.0 assign (resi 34 and name H3' ) (resi 34 and name H5'' ) 3.45 2.0 2.0 assign (resi 34 and name H4' ) (resi 34 and name H5' ) 2.71 1.5 2.0 assign (resi 34 and name H4' ) (resi 34 and name H5'' ) 2.21 1.0 2.0 assign (resi 34 and name H5' ) (resi 34 and name H5'' ) 1.77 0.5 2.0 assign (resi 41 and name H5 ) (resi 41 and name H6 ) 2.41 1.0 2.0 assign (resi 41 and name H5 ) (resi 41 and name H1' ) 5.20 2.0 2.0 assign (resi 41 and name H5 ) (resi 41 and name H2' ) 5.24 2.0 2.0 assign (resi 41 and name H5 ) (resi 41 and name H3' ) 4.92 2.0 2.0 assign (resi 41 and name H5 ) (resi 42 and name H5 ) 3.76 2.0 2.0 assign (resi 41 and name H5 ) (resi 42 and name H6 ) 5.16 2.0 2.0 assign (resi 41 and name H6 ) (resi 41 and name H1' ) 3.53 2.0 2.0 assign (resi 41 and name H6 ) (resi 41 and name H2' ) 3.67 2.0 2.0 assign (resi 41 and name H6 ) (resi 41 and name H3' ) 2.90 1.5 2.0 assign (resi 41 and name H6 ) (resi 41 and name H4' ) 4.04 2.0 2.0 assign (resi 41 and name H6 ) (resi 41 and name H5' ) 3.58 2.0 2.0 assign (resi 41 and name H6 ) (resi 41 and name H5'' ) 4.07 2.0 2.0 assign (resi 41 and name H6 ) (resi 42 and name H5 ) 3.92 2.0 2.0 assign (resi 41 and name H6 ) (resi 42 and name H6 ) 4.10 2.0 2.0 assign (resi 41 and name H6 ) (resi 42 and name H5' ) 5.29 2.0 2.0 assign (resi 41 and name H1' ) (resi 41 and name H2' ) 2.80 1.5 2.0 assign (resi 41 and name H1' ) (resi 41 and name H3' ) 3.85 2.0 2.0 assign (resi 41 and name H1' ) (resi 41 and name H4' ) 3.27 2.0 2.0 assign (resi 41 and name H1' ) (resi 41 and name H5' ) 4.61 2.0 2.0 assign (resi 41 and name H1' ) (resi 41 and name H5'' ) 5.15 2.0 2.0 assign (resi 41 and name H1' ) (resi 42 and name H6 ) 4.90 2.0 2.0 assign (resi 41 and name H1' ) (resi 42 and name H1' ) 5.03 2.0 2.0 assign (resi 41 and name H2' ) (resi 41 and name H3' ) 2.31 1.0 2.0 assign (resi 41 and name H2' ) (resi 41 and name H4' ) 3.76 2.0 2.0 assign (resi 41 and name H2' ) (resi 41 and name H5' ) 5.29 2.0 2.0 assign (resi 41 and name H2' ) (resi 41 and name H5'' ) 4.91 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H5 ) 4.04 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H6 ) 2.30 1.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H1' ) 2.85 1.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H2' ) 5.02 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H3' ) 4.64 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H4' ) 4.45 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H5' ) 3.62 2.0 2.0 assign (resi 41 and name H2' ) (resi 42 and name H5'' ) 5.14 2.0 2.0 assign (resi 41 and name H3' ) (resi 41 and name H4' ) 2.95 1.5 2.0 assign (resi 41 and name H3' ) (resi 41 and name H5' ) 3.70 2.0 2.0 assign (resi 41 and name H3' ) (resi 41 and name H5'' ) 2.93 1.5 2.0 assign (resi 41 and name H3' ) (resi 42 and name H5 ) 3.88 2.0 2.0 assign (resi 41 and name H3' ) (resi 42 and name H6 ) 2.40 1.0 2.0 assign (resi 41 and name H3' ) (resi 42 and name H1' ) 4.77 2.0 2.0 assign (resi 41 and name H3' ) (resi 42 and name H3' ) 5.00 2.0 2.0 assign (resi 41 and name H3' ) (resi 42 and name H4' ) 4.80 2.0 2.0 assign (resi 41 and name H3' ) (resi 42 and name H5' ) 2.76 1.5 2.0 assign (resi 41 and name H3' ) (resi 42 and name H5'' ) 4.45 2.0 2.0 assign (resi 41 and name H4' ) (resi 41 and name H5' ) 2.44 2.0 2.0 assign (resi 41 and name H4' ) (resi 41 and name H5'' ) 2.40 1.0 2.0 assign (resi 41 and name H4' ) (resi 42 and name H6 ) 5.14 2.0 2.0 assign (resi 41 and name H4' ) (resi 42 and name H5' ) 5.26 2.0 2.0 assign (resi 41 and name H5' ) (resi 41 and name H5'' ) 1.77 0.5 2.0 assign (resi 41 and name H5'' ) (resi 42 and name H6 ) 5.27 2.0 2.0 assign (resi 41 and name H5'' ) (resi 42 and name H5' ) 4.87 2.0 2.0 assign (resi 42 and name H5 ) (resi 42 and name H6 ) 2.43 1.0 2.0 assign (resi 42 and name H5 ) (resi 42 and name H1' ) 5.26 2.0 2.0 assign (resi 42 and name H5 ) (resi 42 and name H3' ) 4.31 2.0 2.0 assign (resi 42 and name H5 ) (resi 42 and name H5' ) 3.94 2.0 2.0 assign (resi 42 and name H5 ) (resi 42 and name H5'' ) 5.36 2.0 2.0 assign (resi 42 and name H5 ) (resi 43 and name H8 ) 4.77 2.0 2.0 assign (resi 42 and name H6 ) (resi 42 and name H1' ) 3.44 2.0 2.0 assign (resi 42 and name H6 ) (resi 42 and name H2' ) 4.25 2.0 2.0 assign (resi 42 and name H6 ) (resi 42 and name H3' ) 2.95 1.5 2.0 assign (resi 42 and name H6 ) (resi 42 and name H4' ) 3.98 2.0 2.0 assign (resi 42 and name H6 ) (resi 42 and name H5' ) 2.05 0.5 2.0 assign (resi 42 and name H6 ) (resi 42 and name H5'' ) 3.63 2.0 2.0 assign (resi 42 and name H6 ) (resi 43 and name H8 ) 4.50 2.0 2.0 assign (resi 42 and name H1' ) (resi 42 and name H2' ) 2.74 1.5 2.0 assign (resi 42 and name H1' ) (resi 42 and name H3' ) 3.70 2.0 2.0 assign (resi 42 and name H1' ) (resi 42 and name H4' ) 3.56 2.0 2.0 assign (resi 42 and name H1' ) (resi 42 and name H5' ) 4.40 2.0 2.0 assign (resi 42 and name H1' ) (resi 42 and name H5'' ) 5.19 2.0 2.0 assign (resi 42 and name H1' ) (resi 43 and name H8 ) 4.76 2.0 2.0 assign (resi 42 and name H2' ) (resi 42 and name H3' ) 2.45 1.5 2.0 assign (resi 42 and name H2' ) (resi 42 and name H4' ) 3.70 2.0 2.0 assign (resi 42 and name H2' ) (resi 42 and name H5' ) 4.76 2.0 2.0 assign (resi 42 and name H2' ) (resi 42 and name H5'' ) 4.82 2.0 2.0 assign (resi 42 and name H2' ) (resi 43 and name H8 ) 2.57 1.5 2.0 assign (resi 42 and name H2' ) (resi 43 and name H1' ) 4.82 2.0 2.0 assign (resi 42 and name H2' ) (resi 43 and name H3' ) 4.81 2.0 2.0 assign (resi 42 and name H2' ) (resi 43 and name H4' ) 4.72 2.0 2.0 assign (resi 42 and name H2' ) (resi 43 and name H5' ) 3.57 2.0 2.0 assign (resi 42 and name H2' ) (resi 43 and name H5'' ) 4.36 2.0 2.0 assign (resi 42 and name H3' ) (resi 42 and name H4' ) 2.99 2.0 2.0 assign (resi 42 and name H3' ) (resi 42 and name H5' ) 2.77 1.5 2.0 assign (resi 42 and name H3' ) (resi 42 and name H5'' ) 2.71 1.5 2.0 assign (resi 42 and name H3' ) (resi 43 and name H8 ) 2.48 1.5 2.0 assign (resi 42 and name H3' ) (resi 43 and name H3' ) 4.93 2.0 2.0 assign (resi 42 and name H3' ) (resi 43 and name H5' ) 5.15 2.0 2.0 assign (resi 42 and name H3' ) (resi 43 and name H5'' ) 5.14 2.0 2.0 assign (resi 42 and name H4' ) (resi 42 and name H5' ) 3.00 1.5 2.0 assign (resi 42 and name H4' ) (resi 42 and name H5'' ) 2.56 1.5 2.0 assign (resi 42 and name H4' ) (resi 43 and name H8 ) 5.25 2.0 2.0 assign (resi 42 and name H5' ) (resi 42 and name H5'' ) 1.77 0.5 2.0 assign (resi 42 and name H5' ) (resi 43 and name H8 ) 5.04 2.0 2.0 assign (resi 42 and name H5'' ) (resi 43 and name H8 ) 5.07 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H1' ) 3.66 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H2' ) 3.75 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H3' ) 3.43 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H4' ) 4.50 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H5' ) 4.45 2.0 2.0 assign (resi 43 and name H8 ) (resi 43 and name H5'' ) 4.45 2.0 2.0 assign (resi 43 and name H1' ) (resi 43 and name H2' ) 2.88 1.5 2.0 assign (resi 43 and name H1' ) (resi 43 and name H3' ) 3.92 2.0 2.0 assign (resi 43 and name H1' ) (resi 43 and name H4' ) 3.10 2.0 2.0 assign (resi 43 and name H1' ) (resi 43 and name H5' ) 4.68 2.0 2.0 assign (resi 43 and name H1' ) (resi 43 and name H5'' ) 5.04 2.0 2.0 assign (resi 43 and name H1' ) (resi 44 and name H8 ) 5.14 2.0 2.0 assign (resi 43 and name H2' ) (resi 43 and name H3' ) 2.34 1.5 2.0 assign (resi 43 and name H2' ) (resi 43 and name H4' ) 3.83 2.0 2.0 assign (resi 43 and name H2' ) (resi 43 and name H5' ) 5.33 2.0 2.0 assign (resi 43 and name H2' ) (resi 43 and name H5'' ) 4.66 2.0 2.0 assign (resi 43 and name H2' ) (resi 44 and name H8 ) 3.65 2.0 2.0 assign (resi 43 and name H2' ) (resi 44 and name H5'' ) 5.36 2.0 2.0 assign (resi 43 and name H3' ) (resi 43 and name H4' ) 3.01 2.0 2.0 assign (resi 43 and name H3' ) (resi 43 and name H5' ) 3.70 2.0 2.0 assign (resi 43 and name H3' ) (resi 43 and name H5'' ) 2.55 1.5 2.0 assign (resi 43 and name H3' ) (resi 44 and name H8 ) 4.05 2.0 2.0 assign (resi 43 and name H3' ) (resi 44 and name H5' ) 5.28 2.0 2.0 assign (resi 43 and name H3' ) (resi 44 and name H5'' ) 3.94 2.0 2.0 assign (resi 43 and name H4' ) (resi 43 and name H5' ) 2.30 1.5 2.0 assign (resi 43 and name H4' ) (resi 43 and name H5'' ) 2.60 1.5 2.0 assign (resi 43 and name H4' ) (resi 44 and name H8 ) 4.36 2.0 2.0 assign (resi 43 and name H4' ) (resi 44 and name H1' ) 5.20 2.0 2.0 assign (resi 43 and name H4' ) (resi 44 and name H4' ) 4.91 2.0 2.0 assign (resi 43 and name H4' ) (resi 44 and name H5' ) 4.89 2.0 2.0 assign (resi 43 and name H4' ) (resi 44 and name H5'' ) 3.13 2.0 2.0 assign (resi 43 and name H5' ) (resi 43 and name H5'' ) 1.78 0.5 2.0 assign (resi 43 and name H5' ) (resi 44 and name H5' ) 5.31 2.0 2.0 assign (resi 43 and name H5' ) (resi 44 and name H5'' ) 3.85 2.0 2.0 assign (resi 43 and name H5'' ) (resi 44 and name H8 ) 5.36 2.0 2.0 assign (resi 43 and name H5'' ) (resi 44 and name H4' ) 5.46 2.0 2.0 assign (resi 43 and name H5'' ) (resi 44 and name H5' ) 4.29 2.0 2.0 assign (resi 43 and name H5'' ) (resi 44 and name H5'' ) 3.00 2.0 2.0 assign (resi 44 and name H2 ) (resi 44 and name H1' ) 4.67 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H1' ) 3.81 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H2' ) 3.43 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H3' ) 3.40 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H4' ) 4.55 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H5' ) 4.67 2.0 2.0 assign (resi 44 and name H8 ) (resi 44 and name H5'' ) 3.83 2.0 2.0 assign (resi 44 and name H1' ) (resi 44 and name H2' ) 2.92 2.0 2.0 assign (resi 44 and name H1' ) (resi 44 and name H3' ) 3.99 2.0 2.0 assign (resi 44 and name H1' ) (resi 44 and name H4' ) 3.17 2.0 2.0 assign (resi 44 and name H1' ) (resi 44 and name H5' ) 5.07 2.0 2.0 assign (resi 44 and name H1' ) (resi 44 and name H5'' ) 4.50 2.0 2.0 assign (resi 44 and name H1' ) (resi 45 and name H8 ) 5.19 2.0 2.0 assign (resi 44 and name H1' ) (resi 45 and name H1' ) 3.83 2.0 2.0 assign (resi 44 and name H2' ) (resi 44 and name H3' ) 2.32 1.5 2.0 assign (resi 44 and name H2' ) (resi 44 and name H4' ) 3.91 2.0 2.0 assign (resi 44 and name H2' ) (resi 44 and name H5' ) 4.99 2.0 2.0 assign (resi 44 and name H2' ) (resi 44 and name H5'' ) 5.11 2.0 2.0 assign (resi 44 and name H2' ) (resi 45 and name H8 ) 4.60 2.0 2.0 assign (resi 44 and name H2' ) (resi 45 and name H1' ) 5.41 2.0 2.0 assign (resi 44 and name H3' ) (resi 44 and name H4' ) 2.97 2.0 2.0 assign (resi 44 and name H3' ) (resi 44 and name H5' ) 3.02 2.0 2.0 assign (resi 44 and name H3' ) (resi 44 and name H5'' ) 3.66 2.0 2.0 assign (resi 44 and name H3' ) (resi 45 and name H8 ) 4.50 2.0 2.0 assign (resi 44 and name H3' ) (resi 45 and name H1' ) 5.49 2.0 2.0 assign (resi 44 and name H3' ) (resi 45 and name H5' ) 5.32 2.0 2.0 assign (resi 44 and name H4' ) (resi 44 and name H5' ) 2.32 1.0 2.0 assign (resi 44 and name H4' ) (resi 44 and name H5'' ) 2.54 1.5 2.0 assign (resi 44 and name H4' ) (resi 45 and name H8 ) 4.11 2.0 2.0 assign (resi 44 and name H4' ) (resi 45 and name H1' ) 3.11 2.0 2.0 assign (resi 44 and name H4' ) (resi 45 and name H2' ) 5.41 2.0 2.0 assign (resi 44 and name H4' ) (resi 45 and name H3' ) 5.06 2.0 2.0 assign (resi 44 and name H4' ) (resi 45 and name H4' ) 2.92 1.5 2.0 assign (resi 44 and name H4' ) (resi 45 and name H5' ) 4.25 2.0 2.0 assign (resi 44 and name H4' ) (resi 45 and name H5'' ) 4.09 2.0 2.0 assign (resi 44 and name H5' ) (resi 44 and name H5'' ) 1.77 0.5 2.0 assign (resi 44 and name H5' ) (resi 45 and name H8 ) 5.47 2.0 2.0 assign (resi 44 and name H5' ) (resi 45 and name H1' ) 5.25 2.0 2.0 assign (resi 44 and name H5' ) (resi 45 and name H4' ) 3.81 2.0 2.0 assign (resi 44 and name H5' ) (resi 45 and name H5' ) 4.36 2.0 2.0 assign (resi 44 and name H5' ) (resi 45 and name H5'' ) 3.75 2.0 2.0 assign (resi 44 and name H5'' ) (resi 45 and name H1' ) 5.40 2.0 2.0 assign (resi 44 and name H5'' ) (resi 45 and name H4' ) 4.40 2.0 2.0 assign (resi 44 and name H5'' ) (resi 45 and name H5'' ) 5.05 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H1' ) 3.64 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H2' ) 3.87 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H3' ) 3.65 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H4' ) 4.50 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H5' ) 3.52 2.0 2.0 assign (resi 45 and name H8 ) (resi 45 and name H5'' ) 4.92 2.0 2.0 assign (resi 45 and name H1' ) (resi 45 and name H2' ) 2.94 1.5 2.0 assign (resi 45 and name H1' ) (resi 45 and name H3' ) 3.92 2.0 2.0 assign (resi 45 and name H1' ) (resi 45 and name H4' ) 2.94 1.5 2.0 assign (resi 45 and name H1' ) (resi 45 and name H5' ) 4.70 2.0 2.0 assign (resi 45 and name H1' ) (resi 45 and name H5'' ) 4.96 2.0 2.0 assign (resi 45 and name H2' ) (resi 45 and name H3' ) 2.32 1.0 2.0 assign (resi 45 and name H2' ) (resi 45 and name H4' ) 3.79 2.0 2.0 assign (resi 45 and name H2' ) (resi 45 and name H5' ) 4.38 2.0 2.0 assign (resi 45 and name H2' ) (resi 45 and name H5'' ) 5.07 2.0 2.0 assign (resi 45 and name H3' ) (resi 45 and name H4' ) 3.01 2.0 2.0 assign (resi 45 and name H3' ) (resi 45 and name H5' ) 2.36 1.0 2.0 assign (resi 45 and name H3' ) (resi 45 and name H5'' ) 3.17 2.0 2.0 assign (resi 45 and name H4' ) (resi 45 and name H5' ) 3.01 2.0 2.0 assign (resi 45 and name H4' ) (resi 45 and name H5'' ) 2.34 1.0 2.0 assign (resi 45 and name H5' ) (resi 45 and name H5'' ) 1.77 0.5 2.0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! GUAA restraints - modified from GCAA tetraloop results in Pardi JMB 1996 assign (resi 63 and name H8 ) (resi 62 and name H1' ) 5.00 1.5 1.5 assign (resi 63 and name H8 ) (resi 62 and name H2' ) 2.40 1.0 1.0 assign (resi 63 and name H8 ) (resi 62 and name H3' ) 3.00 1.0 1.0 assign (resi 63 and name H8 ) (resi 62 and name H4' ) 6.00 1.0 1.0 assign (resi 63 and name H8 ) (resi 63 and name H1' ) 4.00 1.2 1.2 assign (resi 63 and name H8 ) (resi 63 and name H2' ) 4.00 1.2 1.2 assign (resi 63 and name H8 ) (resi 63 and name H3' ) 2.70 1.0 1.0 assign (resi 63 and name H1' ) (resi 65 and name H8 ) 4.7 1.0 1.0 assign (resi 63 and name H2' ) (resi 65 and name H8 ) 3.0 1.0 1.0 assign (resi 64 and name H6 ) (resi 64 and name H1' ) 4.00 1.0 1.0 assign (resi 64 and name H6 ) (resi 64 and name H2' ) 4.00 1.0 1.0 assign (resi 64 and name H6 ) (resi 64 and name H3' ) 3.0 1.0 1.0 assign (resi 65 and name H8 ) (resi 64 and name H2' ) 3.00 1.0 1.0 assign (resi 65 and name H8 ) (resi 64 and name H3' ) 2.40 1.0 1.0 assign (resi 64 and name H4' ) (resi 65 and name H8 ) 5.5 1.5 1.5 assign (resi 64 and name H1' ) (resi 65 and name H8 ) 5.0 1.0 1.0 assign (resi 65 and name H8 ) (resi 65 and name H1' ) 4.50 1.0 1.0 assign (resi 65 and name H8 ) (resi 65 and name H2' ) 4.00 1.0 1.0 assign (resi 65 and name H8 ) (resi 65 and name H3' ) 3.00 1.0 1.0 assign (resi 66 and name H8 ) (resi 65 and name H1' ) 5.00 1.5 1.5 assign (resi 66 and name H8 ) (resi 65 and name H2' ) 2.60 1.0 1.0 assign (resi 66 and name H8 ) (resi 65 and name H3' ) 3.00 1.0 1.0 assign (resi 65 and name H2 ) (resi 66 and name H1' ) 4.20 1.5 1.5 assign (resi 65 and name H2' ) (resi 66 and name H1' ) 3.75 1.5 1.5 assign (resi 66 and name H8 ) (resi 66 and name H1' ) 4.0 1.0 1.0 assign (resi 66 and name H8 ) (resi 66 and name H2' ) 4.0 1.0 1.0 assign (resi 66 and name H8 ) (resi 66 and name H3' ) 3.0 1.0 1.0 assign (resi 66 and name H8 ) (resi 67 and name H1' ) 4.00 1.5 1.5 assign (resi 66 and name H8 ) (resi 67 and name H8 ) 3.75 1.5 1.5 assign (resi 66 and name H2 ) (resi 67 and name H1' ) 4.8 1.0 1.0 assign (resi 66 and name H2' ) (resi 67 and name H8 ) 3.3 1.0 1.0 assign (resi 66 and name H2' ) (resi 67 and name H1' ) 3.3 1.0 1.0 assign (resi 66 and name H3' ) (resi 67 and name H8 ) 3.0 1.0 1.0 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! !! UUCG restraints from 1HLX ! from 1HLX !P1helix.noeconstraint !list of noe constraint for non exchangeable protons !P1helix noe constraints from 2D build-up and 3D hsqcnoesy !pics at level 2.0 of the spectrum 60ms mixing time were considered 1.8-3.0A !pics at level 0.8 of the spectrum 60ms mixing time were considered 1.8-4.0A !pics at level 0.3 of the spectrum 60ms mixing time were considered 1.8-5.0A !pics at level 1.5 of the spectrum3d 200ms mixing time were considered 1.8-3.0A !pics at level 0.5 of the spectrum3d 200ms mixing time were considered 1.8-4.0A !pics at level 0.1 of the spectrum3d 200ms mixing time were considered 1.8-5.0A !pics at level 0.1 of the spectrum 200ms mixing time were considered 1.8-6.0A ! H5' and H5'' are distinguished assign (resid 36 and name H6) (resid 35 and name H8) 3.5 1.7 3.0 ! assign (resid 36 and name H6) (resid 35 and name H1') 3.5 1.7 3.0 !88 assign (resid 36 and name H6) (resid 35 and name H3') 3.5 1.7 0.5 !27fred assign (resid 36 and name H5) (resid 35 and name H3') 3.5 1.7 1.5 !3d assign (resid 36 and name H5) (resid 35 and name H8) 3.5 1.7 1.5 !71 !assign (resid 36 and name H5) (resid 8 and name H5) 3.5 1.7 1.5 !81 assign (resid 36 and name H6) (resid 36 and name H1') 3.5 1.7 0.5 !fred assign (resid 36 and name H6) (resid 36 and name H3') 3.5 1.7 0.5 !3d assign (resid 36 and name H6) (resid 36 and name H4') 3.5 1.7 1.5 !3d assign (resid 36 and name H6) (resid 36 and name H5') 3.5 1.7 2.5 !gab assign (resid 36 and name H6) (resid 36 and name H5'') 3.5 1.7 2.5 !gab assign (resid 36 and name H5) (resid 36 and name H3') 3.5 1.7 1.5 !3d changed1gab assign (resid 36 and name H1') (resid 36 and name H3') 3.5 1.7 0.5 !b assign (resid 36 and name H1') (resid 36 and name H4') 3.5 1.7 0.5 !b assign (resid 36 and name H1') (resid 36 and name H5') 3.5 1.7 2.5 !gabfred assign (resid 36 and name H1') (resid 36 and name H5'') 3.5 1.7 2.5 !3dfred assign (resid 36 and name H3') (resid 36 and name H5') 3.5 1.7 1.5 !gab assign (resid 36 and name H3') (resid 36 and name H5'') 3.5 1.7 1.5 !gab assign (resid 36 and name H4') (resid 36 and name H5') 3.5 1.7 0.5 !gab assign (resid 36 and name H4') (resid 36 and name H5'') 3.5 1.7 0.5 !3d assign (resid 37 and name H6) (resid 36 and name H4') 3.5 1.7 1.5 !75 !assign (resid 37 and name H5) (resid 36 and name H3') 3.5 1.7 1.5 !gab !consistent viol. G.C. - hairpin assign (resid 37 and name H5) (resid 36 and name H4') 3.5 1.7 0.5 !3d assign (resid 37 and name H5) (resid 36 and name H5') 3.5 1.7 1.5 !3d assign (resid 37 and name H5) (resid 36 and name H5'') 3.5 1.7 1.5 !3d assign (resid 37 and name H6) (resid 37 and name H1') 3.5 1.7 0.5 !44 assign (resid 37 and name H6) (resid 37 and name H2') 2.4 0.6 0.6 !37 assign (resid 37 and name H6) (resid 37 and name H3') 3.5 1.7 1.5 !55fred assign (resid 37 and name H6) (resid 37 and name H4') 3.5 1.7 1.5 !3d assign (resid 37 and name H6) (resid 37 and name H5') 3.5 1.7 1.5 !1agab assign (resid 37 and name H6) (resid 37 and name H5'') 3.5 1.7 1.5 !1a ch914 assign (resid 37 and name H1') (resid 37 and name H3') 3.5 1.7 0.5 !b 3d assign (resid 37 and name H1') (resid 37 and name H4') 3.5 1.7 0.5 !3d assign (resid 37 and name H1') (resid 37 and name H5'') 3.5 1.7 2.5 !b ch914 assign (resid 37 and name H1') (resid 37 and name H5') 3.5 1.7 2.5 !b ch914 assign (resid 37 and name H3') (resid 37 and name H4') 3.5 1.7 0.5 !3d assign (resid 37 and name H4') (resid 37 and name H5') 2.4 0.6 0.6 !3d assign (resid 37 and name H4') (resid 37 and name H5'') 2.4 0.6 0.6 !3d assign (resid 38 and name H5) (resid 36 and name H1') 3.5 1.7 2.5 !gab assign (resid 38 and name H5) (resid 36 and name H2') 2.4 0.6 0.6 !3d assign (resid 38 and name H5) (resid 36 and name H3') 3.5 1.7 1.5 !gab assign (resid 38 and name H6) (resid 37 and name H3') 2.4 0.6 0.6 !28 assign (resid 38 and name H6) (resid 37 and name H4') 3.5 1.7 1.5 !3d assign (resid 38 and name H6) (resid 37 and name H5') 3.5 1.7 1.5 !3d ch914gab assign (resid 38 and name H6) (resid 37 and name H5'') 3.5 1.7 2.5 !3d assign (resid 38 and name H5) (resid 37 and name H3') 3.5 1.7 0.5 !3dnew assign (resid 38 and name H5) (resid 37 and name H4') 3.5 1.7 2.5 !gab assign (resid 38 and name H5) (resid 37 and name H5') 3.5 1.7 0.5 !3d ch914 assign (resid 38 and name H5) (resid 37 and name H5'') 3.5 1.7 0.5 !3dnew ch914 assign (resid 38 and name H5') (resid 37 and name H3') 3.5 1.7 1.5 !3dnewgab assign (resid 38 and name H6) (resid 38 and name H1') 3.5 1.7 0.5 !49 assign (resid 38 and name H6) (resid 38 and name H3') 3.5 1.7 0.5 !57 assign (resid 38 and name H6) (resid 38 and name H4') 3.5 1.7 1.5 !87 assign (resid 38 and name H6) (resid 38 and name H5') 3.5 1.7 1.5 !3d ch914gab assign (resid 38 and name H6) (resid 38 and name H5'') 3.5 1.7 1.5 !3d ch914gab assign (resid 38 and name H1') (resid 38 and name H3') 3.5 1.7 0.5 !3d assign (resid 38 and name H1') (resid 38 and name H4') 3.5 1.7 0.5 !b 3d assign (resid 38 and name H1') (resid 38 and name H5') 3.5 1.7 2.5 !b ch914 assign (resid 38 and name H1') (resid 38 and name H5'') 3.5 1.7 2.5 !b ch914 assign (resid 38 and name H3') (resid 38 and name H4') 2.4 0.6 0.6 !3d assign (resid 38 and name H3') (resid 38 and name H5') 3.5 1.7 0.5 !3d ch914 assign (resid 38 and name H3') (resid 38 and name H5'') 3.5 1.7 0.5 !3d ch914 assign (resid 38 and name H4') (resid 38 and name H5') 2.4 0.6 0.6 !3d assign (resid 38 and name H4') (resid 38 and name H5'') 2.4 0.6 0.6 !3d assign (resid 39 and name H8) (resid 38 and name H4') 3.5 1.7 1.5 !3d !assign (resid 39 and name H8) (resid 38 and name H5') 3.5 1.7 1.5 !88 !consistent viol. G.C. !assign (resid 39 and name H8) (resid 38 and name H5'') 3.5 1.7 1.5 !85 !consistent viol. G.C. assign (resid 39 and name H1') (resid 38 and name H4') 3.5 1.7 1.5 !3d assign (resid 39 and name H1') (resid 38 and name H5') 3.5 1.7 3.5 !3d ch914 assign (resid 39 and name H1') (resid 38 and name H5'') 3.5 1.7 3.5 !3d ch914 assign (resid 39 and name H3') (resid 38 and name H4') 3.5 1.7 1.5 !3d assign (resid 39 and name H4') (resid 38 and name H4') 4.0 1.7 0.5 !3d ch914 !added 0.5A G.C. assign (resid 39 and name H5') (resid 38 and name H4') 3.5 1.7 1.5 !3d ch914 assign (resid 39 and name H5'') (resid 38 and name H4') 3.5 1.7 0.5 !3d assign (resid 39 and name H8) (resid 39 and name H1') 2.4 0.6 0.6 !07 assign (resid 39 and name H8) (resid 39 and name H4') 3.5 1.7 2.5 !3d changedgab assign (resid 39 and name H1') (resid 39 and name H3') 3.5 1.7 1.5 !3d assign (resid 39 and name H1') (resid 39 and name H4') 3.5 1.7 0.5 !3d changed assign (resid 39 and name H1') (resid 39 and name H5') 3.5 1.7 1.5 !3d assign (resid 39 and name H1') (resid 39 and name H5'') 3.5 1.7 1.5 !3d assign (resid 39 and name H3') (resid 39 and name H4') 2.4 0.6 0.6 !3d assign (resid 39 and name H3') (resid 39 and name H5') 3.5 1.7 0.5 !3d ch914 assign (resid 39 and name H3') (resid 39 and name H5'') 3.5 1.7 0.5 !3d ch914 assign (resid 39 and name H4') (resid 39 and name H5') 2.4 0.6 0.6 !3d ch914 assign (resid 40 and name H6) (resid 39 and name H3') 3.5 1.7 0.5 !41 !assign (resid 40 and name H1') (resid 39 and name H3') 3.5 1.7 1.5 !3d ch914 !consistent viol. G.C. assign (resid 40 and name H5') (resid 39 and name H3') 3.5 1.7 2.5 !3dfred assign (resid 40 and name H5'') (resid 39 and name H3') 3.5 1.7 2.5 !3dfred !noe obtained from 2D spectrum in H2o involve exchangeable protons !list of noe constraints obtained from the 2DNOESY spectrum in H2O of P1helix !internucleotide noe imino-imino assign (resid 40 and name H3) (resid 39 and name H1) 3.5 1.7 1.5 !new noe !assign (resid 38 and name HN') (resid 36 and name H3') 3.5 1.7 1.5 !assign (resid 38 and name HN') (resid 36 and name H6) 3.5 1.7 2.5 !assign (resid 38 and name HN'') (resid 36 and name H6) 3.5 1.7 2.5 assign (resid 39 and name H1) (resid 36 and name H6) 3.5 1.7 2.5 assign (resid 39 and name H1) (resid 36 and name H1') 3.5 1.7 1.5 !assign (resid 39 and name H1) (resid 38 and name H1') 3.5 1.7 1.5 !consistent viol. G.C. assign (resid 39 and name H1) (resid 38 and name H5) 3.5 1.7 2.5 assign (resid 39 and name H1) (resid 40 and name H6) 3.5 1.7 2.5 !assign (resid 39 and name H1) (resid 13 and name HN'') 3.5 1.7 2.5 !noe from biochem paper assign (resid 36 and name H3) (resid 39 and name H1) 3.5 1.7 1.5 assign (resid 36 and name H3) (resid 40 and name H3) 3.5 1.7 1.5 !new noe with structuregab !assign (resid 36 and name H5) (resid 38 and name HN') 3.5 1.7 2.5 assign (resid 36 and name H4') (resid 39 and name H1) 3.5 1.7 1.5 assign (resid 38 and name H6) (resid 39 and name H1) 3.5 1.7 2.5 !assign (resid 8 and name HN') (resid 36 and name H5) 3.5 1.7 2.5 assign (resid 36 and name H2') (resid 36 and name H1') 3.5 1.7 1.5 assign (resid 36 and name H2') (resid 36 and name H4') 3.5 1.7 2.5 assign (resid 36 and name H2') (resid 38 and name H6) 3.5 1.7 2.5 assign (resid 40 and name H3) (resid 36 and name H1') 3.5 1.7 1.5 !assign (resid 13 and name HN') (resid 36 and name H1') 3.5 1.7 1.5 !assign (resid 13 and name HN'') (resid 36 and name H1') 3.5 1.7 1.5 !new assign (resid 39 and name H1) (resid 37 and name H3') 3.5 1.7 2.5 assign (resid 36 and name H2') (resid 39 and name H1) 3.5 1.7 1.5
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