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 |
|
|
522901 |
2l7z   |
16252 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!!!!!**** !!!!!**** HOXA13 DNA binding domain NMR restraint file including NOE restraint (778 (total) !!!!!**** 139 (intra), 564 (medium) and 75 (long)) and dihedral angle restraint (Phi and Psi, 86) and !!!!!**** hydrogen bond restraint (total 54) !!!!!**** assign (resid 16 and name HA )(resid 19 and name HB# ) 0.0 1.0 6.0 assign (resid 16 and name HA )(resid 19 and name HD2# ) 0.0 1.5 6.5 assign (resid 17 and name HA )(resid 20 and name HB# ) 0.0 1.0 4.5 assign (resid 18 and name HA )(resid 21 and name HB# ) 0.0 1.0 5.0 assign (resid 18 and name HA )(resid 22 and name HD2# ) 0.0 1.5 6.5 assign (resid 19 and name HA )(resid 22 and name HB# ) 0.0 1.0 6.0 assign (resid 19 and name HA )(resid 22 and name HD1# ) 0.0 1.5 6.5 assign (resid 20 and name HA )(resid 23 and name HB# ) 0.0 1.0 4.5 assign (resid 21 and name HA )(resid 24 and name HB# ) 0.0 1.0 4.5 assign (resid 22 and name HA )(resid 25 and name HB# ) 0.0 1.0 6.0 assign (resid 23 and name HA )(resid 26 and name HB# ) 0.0 1.0 6.0 assign (resid 24 and name HA )(resid 27 and name HB# ) 0.0 1.5 5.0 assign (resid 25 and name HA )(resid 28 and name HB ) 0.0 0.0 3.5 assign (resid 27 and name HB# )(resid 26 and name HD# ) 0.0 3.0 8.0 assign (resid 31 and name HD# )(resid 32 and name HD1# ) 0.0 2.0 7.0 assign (resid 34 and name HA )(resid 37 and name HB# ) 0.0 1.0 6.0 assign (resid 35 and name HA )(resid 38 and name HB# ) 0.0 1.0 5.0 assign (resid 36 and name HA )(resid 39 and name HB# ) 0.0 1.0 6.0 assign (resid 36 and name HA )(resid 32 and name HD1# ) 0.0 1.5 6.5 assign (resid 36 and name HA )(resid 32 and name HG2# ) 0.0 1.5 6.5 assign (resid 36 and name HA )(resid 39 and name HD# ) 0.0 1.0 4.0 assign (resid 37 and name HA )(resid 40 and name HB ) 0.0 0.0 5.0 assign (resid 38 and name HA )(resid 41 and name HB# ) 0.0 1.0 6.0 assign (resid 39 and name HA )(resid 42 and name HB# ) 0.0 1.5 5.0 assign (resid 40 and name HA )(resid 43 and name HB ) 0.0 0.0 5.0 assign (resid 41 and name HA )(resid 44 and name HB ) 0.0 0.0 3.5 assign (resid 43 and name HA )(resid 42 and name HB# ) 0.0 1.5 6.5 assign (resid 48 and name HA )(resid 51 and name HB ) 0.0 0.0 5.0 assign (resid 48 and name HA )(resid 51 and name HG1# ) 0.0 1.5 6.0 assign (resid 49 and name HA )(resid 52 and name HB ) 0.0 0.0 3.5 assign (resid 49 and name HA )(resid 50 and name HB# ) 0.0 1.0 6.0 assign (resid 50 and name HA )(resid 53 and name HB ) 0.0 0.0 5.0 assign (resid 51 and name HA )(resid 54 and name HA ) 0.0 0.0 5.0 assign (resid 51 and name HA )(resid 54 and name HB# ) 0.0 1.0 6.0 assign (resid 51 and name HA )(resid 54 and name HZ3 ) 0.0 0.0 5.0 assign (resid 52 and name HA )(resid 55 and name HB# ) 0.0 1.0 6.0 assign (resid 53 and name HA )(resid 56 and name HB# ) 0.0 1.0 6.0 assign (resid 54 and name HB# )(resid 53 and name HG2# ) 0.0 2.5 7.5 assign (resid 54 and name HB# )(resid 54 and name HD1 ) 0.0 1.0 4.5 assign (resid 54 and name HA )(resid 57 and name HB# ) 0.0 1.0 6.0 assign (resid 55 and name HA )(resid 58 and name HB# ) 0.0 1.0 6.0 assign (resid 56 and name HA )(resid 59 and name HB# ) 0.0 1.0 5.0 assign (resid 57 and name HA )(resid 60 and name HB ) 0.0 0.0 3.5 assign (resid 57 and name HA )(resid 60 and name HG1# ) 0.0 1.5 5.0 assign (resid 57 and name HB1 )(resid 53 and name HG2# ) 0.0 1.5 6.5 assign (resid 57 and name HB2 )(resid 53 and name HG2# ) 0.0 1.5 6.5 assign (resid 58 and name HA )(resid 61 and name HB# ) 0.0 1.0 5.0 assign (resid 58 and name HA )(resid 57 and name HB# ) 0.0 1.0 6.0 assign (resid 59 and name HA )(resid 62 and name HB# ) 0.0 1.0 6.0 assign (resid 60 and name HA )(resid 63 and name HB# ) 0.0 1.0 6.0 assign (resid 61 and name HA )(resid 64 and name HB# ) 0.0 1.0 5.0 assign (resid 62 and name HA )(resid 65 and name HB ) 0.0 0.0 5.0 assign (resid 63 and name HA )(resid 66 and name HB ) 0.0 0.0 5.0 assign (resid 64 and name HA )(resid 67 and name HB# ) 0.0 1.0 6.0 assign (resid 65 and name HA )(resid 68 and name HB# ) 0.0 1.0 6.0 assign (resid 66 and name HA )(resid 69 and name HB# ) 0.0 1.0 6.0 assign (resid 52 and name HB )(resid 53 and name HB ) 0.0 0.0 5.0 assign (resid 51 and name HG# )(resid 54 and name HZ3 ) 0.0 3.0 7.0 assign (resid 54 and name HB# )(resid 51 and name HG# ) 0.0 4.0 9.0 assign (resid 54 and name HA )(resid 53 and name HB ) 0.0 0.0 5.0 assign (resid 59 and name HB# )(resid 56 and name HG# ) 0.0 2.0 7.0 assign (resid 60 and name HB )(resid 59 and name HB# ) 0.0 2.0 6.0 assign (resid 61 and name HB# )(resid 57 and name HB# ) 0.0 2.0 7.0 assign (resid 61 and name HB# )(resid 57 and name HA ) 0.0 1.0 6.0 assign (resid 61 and name HB# )(resid 58 and name HG# ) 0.0 2.0 7.0 assign (resid 61 and name HB# )(resid 59 and name HA ) 0.0 1.0 6.0 assign (resid 61 and name HB# )(resid 60 and name HB ) 0.0 1.0 6.0 assign (resid 62 and name HB# )(resid 61 and name HB# ) 0.0 2.0 6.0 !*********************************************************************************** !Long-range NOE assign (resid 18 and name HA )(resid 44 and name HB ) 0.0 0.0 3.5 assign (resid 18 and name HA )(resid 44 and name HA ) 0.0 0.0 5.0 assign (resid 18 and name HA )(resid 51 and name HG# ) 0.0 3.0 8.0 assign (resid 18 and name HA )(resid 40 and name HG2# ) 0.0 1.5 5.0 assign (resid 18 and name HG# )(resid 44 and name HG2# ) 0.0 2.5 5.4 assign (resid 18 and name HA )(resid 44 and name HG2# ) 0.0 1.5 6.5 assign (resid 19 and name HD1# )(resid 54 and name HZ2 ) 0.0 1.5 5.0 assign (resid 19 and name HD1# )(resid 22 and name HD2# ) 0.0 3.0 6.5 assign (resid 19 and name HD2# )(resid 22 and name HD2# ) 0.0 3.0 8.0 assign (resid 19 and name HD2# )(resid 54 and name HZ2 ) 0.0 1.5 5.0 assign (resid 22 and name HD2# )(resid 19 and name HD# ) 0.0 4.5 8.0 assign (resid 22 and name HD1# )(resid 51 and name HG2# ) 0.0 3.0 8.0 assign (resid 22 and name HD1# )(resid 55 and name HE# ) 0.0 2.5 7.5 assign (resid 22 and name HD2# )(resid 46 and name HD2# ) 0.0 3.0 8.0 assign (resid 22 and name HD2# )(resid 54 and name HZ2 ) 0.0 1.5 6.5 assign (resid 22 and name HD2# )(resid 54 and name HZ3 ) 0.0 1.5 6.0 assign (resid 22 and name HD2# )(resid 55 and name HE# ) 0.0 2.5 7.5 assign (resid 22 and name HA )(resid 40 and name HG2# ) 0.0 1.5 6.5 assign (resid 22 and name HA )(resid 58 and name HG# ) 0.0 1.0 6.0 assign (resid 22 and name HA )(resid 40 and name HD1# ) 0.0 1.5 6.5 assign (resid 22 and name HD2# )(resid 58 and name HG# ) 0.0 2.5 7.5 assign (resid 22 and name HD2# )(resid 58 and name HB# ) 0.0 2.5 7.5 assign (resid 22 and name HD2# )(resid 55 and name HA ) 0.0 1.5 6.5 assign (resid 22 and name HD2# )(resid 54 and name HD1 ) 0.0 1.5 6.5 assign (resid 22 and name HD1# )(resid 31 and name HE# ) 0.0 2.5 7.5 assign (resid 22 and name HD1# )(resid 31 and name HZ ) 0.0 1.5 6.5 assign (resid 22 and name HD1# )(resid 54 and name HE3 ) 0.0 1.5 6.5 assign (resid 26 and name HE#)(resid 62 and name HB# ) 0.0 3.0 8.0 assign (resid 32 and name HD1# )(resid 34 and name HE# ) 0.0 2.5 7.5 assign (resid 32 and name HD1# )(resid 36 and name HB# ) 0.0 2.5 7.5 assign (resid 32 and name HG2# )(resid 31 and name HD# ) 0.0 3.5 8.5 assign (resid 32 and name HD1# )(resid 37 and name HA ) 0.0 1.5 4.4 assign (resid 37 and name HA )(resid 51 and name HB ) 0.0 0.0 5.0 assign (resid 40 and name HD1# )(resid 32 and name HD1# ) 0.0 3.0 6.5 assign (resid 40 and name HD1# )(resid 25 and name HB# ) 0.0 2.5 6.0 assign (resid 40 and name HD1# )(resid 31 and name HZ ) 0.0 1.5 6.5 assign (resid 40 and name HD1# )(resid 31 and name HD# ) 0.0 2.5 7.5 assign (resid 40 and name HD1# )(resid 37 and name HA ) 0.0 1.5 6.5 assign (resid 40 and name HG2# )(resid 22 and name HD2# ) 0.0 3.0 8.0 assign (resid 40 and name HG2# )(resid 22 and name HD1# ) 0.0 3.0 6.0 assign (resid 40 and name HG2# )(resid 32 and name HD1# ) 0.0 3.0 8.0 assign (resid 40 and name HG2# )(resid 44 and name HG2# ) 0.0 3.0 6.5 assign (resid 40 and name HG2# )(resid 25 and name HB# ) 0.0 2.5 7.5 assign (resid 40 and name HG2# )(resid 51 and name HA ) 0.0 1.5 6.5 assign (resid 40 and name HD1# )(resid 22 and name HD2# ) 0.0 3.0 8.0 assign (resid 40 and name HD1# )(resid 22 and name HB# ) 0.0 2.5 7.5 assign (resid 40 and name HB )(resid 51 and name HG# ) 0.0 3.0 5.9 assign (resid 40 and name HD1# )(resid 51 and name HG1# ) 0.0 3.0 8.0 assign (resid 40 and name HD1# )(resid 51 and name HG2# ) 0.0 3.0 6.5 assign (resid 40 and name HD1# )(resid 25 and name HG# ) 0.0 2.5 6.0 assign (resid 40 and name HD1# )(resid 55 and name HB# ) 0.0 2.5 7.5 assign (resid 41 and name HA )(resid 54 and name HE3 ) 0.0 0.0 5.0 !from 2Dnoesy assign (resid 41 and name HA )(resid 51 and name HG1# ) 0.0 1.5 5.0 assign (resid 44 and name HB )(resid 18 and name HB# ) 0.0 1.0 6.0 assign (resid 46 and name HD2# )(resid 48 and name HG# ) 0.0 2.5 7.5 assign (resid 46 and name HD2# )(resid 54 and name HZ3 ) 0.0 1.5 6.5 assign (resid 46 and name HD2# )(resid 48 and name HA ) 0.0 1.5 6.5 assign (resid 46 and name HD1# )(resid 54 and name HZ3 ) 0.0 1.5 5.0 assign (resid 46 and name HD1# )(resid 54 and name HZ2 ) 0.0 1.5 6.5 assign (resid 46 and name HD1# )(resid 50 and name HG# ) 0.0 2.5 7.5 assign (resid 46 and name HD1# )(resid 51 and name HG1# ) 0.0 3.0 8.0 assign (resid 51 and name HG1# )(resid 47 and name HB# ) 0.0 2.5 7.5 assign (resid 46 and name HD1# )(resid 22 and name HD2# ) 0.0 3.0 7.0 assign (resid 46 and name HD2# )(resid 44 and name HB ) 0.0 1.5 6.5 assign (resid 51 and name HA )(resid 22 and name HD1# ) 0.0 1.5 6.5 assign (resid 51 and name HB )(resid 40 and name HB ) 0.0 0.0 5.0 assign (resid 52 and name HA )(resid 32 and name HD1# ) 0.0 1.5 6.5 assign (resid 59 and name HA )(resid 26 and name HE# ) 0.0 2.0 7.0 assign (resid 62 and name HB# )(resid 26 and name HE# ) 0.0 3.0 8.0 !!!N15-NOESY-HSQC assignment !!!********************************************************************************************* assign (resid 14 and name HN)(resid 14 and name HA ) 0.0 0.0 5.0 assign (resid 14 and name HN)(resid 14 and name HB# ) 0.0 1.0 5.0 assign (resid 14 and name HN)(resid 14 and name HD# ) 0.0 2.0 5.5 !2 !self-aromatic assign (resid 14 and name HN)(resid 14 and name HE# ) 0.0 2.0 7.0 !2 !self-aromatic assign (resid 14 and name HN)(resid 13 and name HA ) 0.0 0.0 3.5 !Na(i-1) assign (resid 14 and name HN)(resid 13 and name HB# ) 0.0 1.0 6.0 assign (resid 14 and name HN)(resid 15 and name HN ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 15 and name HA ) 0.0 0.0 3.5 assign (resid 15 and name HN)(resid 15 and name HB ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 15 and name HG2# ) 0.0 1.5 5.0 assign (resid 15 and name HN)(resid 13 and name HB1 ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 14 and name HN ) 0.0 0.0 3.5 assign (resid 15 and name HN)(resid 14 and name HD# ) 0.0 2.0 6.0 assign (resid 15 and name HN)(resid 14 and name HE# ) 0.0 2.0 7.0 assign (resid 15 and name HN)(resid 14 and name HA ) 0.0 0.0 3.5 assign (resid 15 and name HN)(resid 14 and name HB1 ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 18 and name HN ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 18 and name HA ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 18 and name HB1 ) 0.0 0.0 3.5 assign (resid 15 and name HN)(resid 18 and name HB2 ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 19 and name HN ) 0.0 0.0 5.0 assign (resid 15 and name HN)(resid 19 and name HD2# ) 0.0 1.5 6.5 !2 assign (resid 16 and name HN)(resid 16 and name HA ) 0.0 0.0 3.5 assign (resid 16 and name HN)(resid 16 and name HB# ) 0.0 1.0 4.5 assign (resid 16 and name HN)(resid 16 and name HG# ) 0.0 1.0 6.0 assign (resid 16 and name HN)(resid 15 and name HA ) 0.0 0.0 3.5 assign (resid 16 and name HN)(resid 15 and name HB ) 0.0 0.0 3.5 assign (resid 16 and name HN)(resid 15 and name HG# ) 0.0 1.5 6.0 assign (resid 16 and name HN)(resid 17 and name HN ) 0.0 0.0 3.5 assign (resid 16 and name HN)(resid 17 and name HG2# ) 0.0 1.5 6.5 assign (resid 16 and name HN)(resid 18 and name HN ) 0.0 0.0 5.0 assign (resid 16 and name HN)(resid 18 and name HB2 ) 0.0 0.0 5.0 assign (resid 16 and name HN)(resid 19 and name HN ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 17 and name HA ) 0.0 0.0 3.5 assign (resid 17 and name HN)(resid 17 and name HB ) 0.0 0.0 3.5 assign (resid 17 and name HN)(resid 17 and name HG1# ) 0.0 1.5 6.0 assign (resid 17 and name HN)(resid 15 and name HN ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 15 and name HA ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 15 and name HB ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 15 and name HG2# ) 0.0 1.5 6.0 assign (resid 17 and name HN)(resid 16 and name HA ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 16 and name HN ) 0.0 0.0 3.5 assign (resid 17 and name HN)(resid 18 and name HN ) 0.0 0.0 3.5 assign (resid 17 and name HN)(resid 18 and name HA ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 18 and name HB1 ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 18 and name HB2 ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 19 and name HN ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 20 and name HN ) 0.0 0.0 5.0 assign (resid 17 and name HN)(resid 20 and name HD# ) 0.0 1.0 6.0 !2 !pseudo-atom methylene assign (resid 18 and name HN)(resid 18 and name HA ) 0.0 0.0 3.5 assign (resid 18 and name HN)(resid 18 and name HB1 ) 0.0 0.0 3.5 assign (resid 18 and name HN)(resid 18 and name HB2 ) 0.0 0.0 3.5 assign (resid 18 and name HN)(resid 15 and name HN ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 15 and name HB ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 15 and name HA ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 15 and name HG2# ) 0.0 1.0 6.0 assign (resid 18 and name HN)(resid 16 and name HN ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 16 and name HA ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 17 and name HN ) 0.0 0.0 3.5 assign (resid 18 and name HN)(resid 17 and name HB ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 17 and name HG2# ) 0.0 1.5 5.0 assign (resid 18 and name HN)(resid 19 and name HN ) 0.0 0.0 5.0 assign (resid 18 and name HN)(resid 19 and name HB# ) 0.0 1.0 6.0 !ambiguous assign (resid 18 and name HN)(resid 21 and name HN ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 19 and name HA ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 19 and name HB1 ) 0.0 0.0 3.5 assign (resid 19 and name HN)(resid 19 and name HD2# ) 0.0 1.5 5.0 assign (resid 19 and name HN)(resid 15 and name HN ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 16 and name HA ) 0.0 0.0 3.5 assign (resid 19 and name HN)(resid 16 and name HB# ) 0.0 1.0 6.0 assign (resid 19 and name HN)(resid 17 and name HN ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 18 and name HN ) 0.0 0.0 3.5 assign (resid 19 and name HN)(resid 18 and name HA ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 18 and name HB1 ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 20 and name HN ) 0.0 0.0 3.5 assign (resid 19 and name HN)(resid 21 and name HN ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 22 and name HN ) 0.0 0.0 5.0 assign (resid 19 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 20 and name HN)(resid 20 and name HA ) 0.0 0.0 3.5 assign (resid 20 and name HN)(resid 20 and name HB# ) 0.0 1.0 4.5 assign (resid 20 and name HN)(resid 20 and name HG# ) 0.0 1.0 6.0 assign (resid 20 and name HN)(resid 17 and name HA ) 0.0 0.0 3.5 assign (resid 20 and name HN)(resid 18 and name HN ) 0.0 0.0 5.0 assign (resid 20 and name HN)(resid 18 and name HB# ) 0.0 1.0 6.0 !change from HB1 assign (resid 20 and name HN)(resid 19 and name HN ) 0.0 0.0 5.0 assign (resid 20 and name HN)(resid 19 and name HA ) 0.0 0.0 5.0 assign (resid 20 and name HN)(resid 19 and name HD2# ) 0.0 1.5 6.0 assign (resid 20 and name HN)(resid 21 and name HN ) 0.0 0.0 3.5 assign (resid 20 and name HN)(resid 21 and name HA ) 0.0 0.0 5.0 assign (resid 20 and name HN)(resid 22 and name HN ) 0.0 0.0 5.0 assign (resid 20 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 20 and name HN)(resid 23 and name HN ) 0.0 0.0 5.0 assign (resid 21 and name HN)(resid 21 and name HA ) 0.0 0.0 3.5 assign (resid 21 and name HN)(resid 21 and name HB# ) 0.0 1.0 4.5 assign (resid 21 and name HN)(resid 18 and name HA ) 0.0 0.0 3.5 assign (resid 21 and name HN)(resid 20 and name HN ) 0.0 0.0 5.0 assign (resid 21 and name HN)(resid 20 and name HA ) 0.0 0.0 5.0 assign (resid 21 and name HN)(resid 20 and name HB# ) 0.0 1.0 4.5 assign (resid 21 and name HN)(resid 20 and name HG# ) 0.0 1.0 6.0 assign (resid 21 and name HN)(resid 22 and name HN ) 0.0 0.0 5.0 assign (resid 21 and name HN)(resid 22 and name HB# ) 0.0 1.0 6.0 assign (resid 21 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 21 and name HN)(resid 23 and name HN ) 0.0 0.0 5.0 assign (resid 21 and name HN)(resid 24 and name HN ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 22 and name HA ) 0.0 0.0 3.5 assign (resid 22 and name HN)(resid 22 and name HB1 ) 0.0 0.0 3.5 assign (resid 22 and name HN)(resid 22 and name HB2 ) 0.0 0.0 3.5 assign (resid 22 and name HN)(resid 22 and name HG ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 22 and name HN)(resid 19 and name HA ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 19 and name HD2# ) 0.0 1.5 6.5 assign (resid 22 and name HN)(resid 21 and name HN ) 0.0 0.0 3.5 assign (resid 22 and name HN)(resid 21 and name HA ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 21 and name HB# ) 0.0 1.0 6.0 assign (resid 22 and name HN)(resid 23 and name HN ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 24 and name HN ) 0.0 0.0 5.0 assign (resid 22 and name HN)(resid 25 and name HN ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 23 and name HA ) 0.0 0.0 3.5 assign (resid 23 and name HN)(resid 23 and name HB# ) 0.0 1.0 4.5 assign (resid 23 and name HN)(resid 19 and name HA ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 19 and name HD2# ) 0.0 1.5 6.5 assign (resid 23 and name HN)(resid 20 and name HA ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 21 and name HN ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 22 and name HN ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 22 and name HA ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 22 and name HB2 ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 23 and name HN)(resid 22 and name HB1 ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 24 and name HN ) 0.0 0.0 5.0 assign (resid 23 and name HN)(resid 24 and name HG# ) 0.0 1.0 6.0 assign (resid 23 and name HN)(resid 24 and name HD2 ) 0.0 1.0 5.0 assign (resid 23 and name HN)(resid 25 and name HG# ) 0.0 1.0 6.0 assign (resid 23 and name HN)(resid 26 and name HN ) 0.0 0.0 5.0 assign (resid 24 and name HN)(resid 24 and name HA ) 0.0 0.0 3.5 assign (resid 24 and name HN)(resid 24 and name HB# ) 0.0 1.0 4.5 assign (resid 24 and name HN)(resid 23 and name HN ) 0.0 0.0 3.5 assign (resid 24 and name HN)(resid 26 and name HN ) 0.0 0.0 5.0 assign (resid 24 and name HN)(resid 25 and name HN ) 0.0 0.0 5.0 assign (resid 24 and name HN)(resid 21 and name HN ) 0.0 0.0 5.0 assign (resid 24 and name HN)(resid 27 and name HN ) 0.0 0.0 5.0 assign (resid 24 and name HN)(resid 26 and name HD# ) 0.0 2.0 7.0 assign (resid 24 and name HN)(resid 23 and name HA ) 0.0 0.0 3.5 assign (resid 24 and name HN)(resid 21 and name HA ) 0.0 0.0 3.5 assign (resid 24 and name HN)(resid 24 and name HD# ) 0.0 1.0 6.0 assign (resid 24 and name HN)(resid 25 and name HG# ) 0.0 1.0 6.0 assign (resid 24 and name HN)(resid 25 and name HB# ) 0.0 1.0 6.0 assign (resid 24 and name HN)(resid 23 and name HB# ) 0.0 1.0 4.5 assign (resid 24 and name HN)(resid 22 and name HB# ) 0.0 1.0 6.0 assign (resid 25 and name HN)(resid 24 and name HA ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 24 and name HB# ) 0.0 1.0 5.0 assign (resid 25 and name HN)(resid 26 and name HN ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 23 and name HN ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 24 and name HN ) 0.0 0.0 3.5 assign (resid 25 and name HN)(resid 28 and name HN ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 26 and name HD# ) 0.0 2.0 7.0 assign (resid 25 and name HN)(resid 25 and name HA ) 0.0 0.0 3.5 assign (resid 25 and name HN)(resid 23 and name HA ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 22 and name HA ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 24 and name HD2 ) 0.0 0.0 5.0 assign (resid 25 and name HN)(resid 25 and name HG# ) 0.0 1.0 5.0 assign (resid 25 and name HN)(resid 25 and name HB# ) 0.0 1.0 4.5 assign (resid 25 and name HN)(resid 23 and name HB# ) 0.0 1.0 6.0 assign (resid 25 and name HN)(resid 22 and name HB# ) 0.0 1.0 6.0 assign (resid 25 and name HN)(resid 24 and name HG# ) 0.0 1.0 6.0 assign (resid 25 and name HN)(resid 27 and name HN ) 0.0 0.0 5.0 assign (resid 26 and name HN)(resid 26 and name HA ) 0.0 0.0 3.5 assign (resid 26 and name HN)(resid 25 and name HN ) 0.0 0.0 3.5 assign (resid 26 and name HN)(resid 24 and name HN ) 0.0 0.0 3.5 assign (resid 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name HN ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 48 and name HN ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 51 and name HN ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 50 and name HN ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 46 and name HA ) 0.0 0.0 3.5 assign (resid 47 and name HN)(resid 47 and name HA ) 0.0 0.0 3.5 assign (resid 47 and name HN)(resid 47 and name HB# ) 0.0 1.0 4.5 assign (resid 47 and name HN)(resid 48 and name HA ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 50 and name HG# ) 0.0 1.0 4.5 assign (resid 47 and name HN)(resid 48 and name HB# ) 0.0 1.0 6.0 assign (resid 47 and name HN)(resid 46 and name HB# ) 0.0 1.0 6.0 assign (resid 47 and name HN)(resid 46 and name HG ) 0.0 0.0 5.0 assign (resid 47 and name HN)(resid 51 and name HG1# ) 0.0 1.5 6.5 !V51HG1#0.856 assign (resid 47 and name HN)(resid 46 and name HD1# ) 0.0 1.5 6.0 assign (resid 48 and name HN)(resid 49 and name HN ) 0.0 0.0 3.5 assign (resid 48 and name HN)(resid 47 and name HN ) 0.0 0.0 5.0 assign (resid 48 and name HN)(resid 51 and name HN ) 0.0 0.0 5.0 assign (resid 48 and name HN)(resid 50 and name HN ) 0.0 0.0 5.0 assign (resid 48 and name HN)(resid 47 and name HA ) 0.0 0.0 3.5 assign (resid 48 and name HN)(resid 47 and name HB# ) 0.0 1.0 6.0 assign (resid 48 and name HN)(resid 48 and name HA ) 0.0 0.0 3.5 assign (resid 48 and name HN)(resid 48 and name HG# ) 0.0 1.0 6.0 assign (resid 48 and name HN)(resid 49 and name HB# ) 0.0 1.0 6.0 assign (resid 48 and name HN)(resid 51 and name HG1# ) 0.0 1.5 6.5 !V51HG1#0.856 assign (resid 49 and name HN)(resid 48 and name HN ) 0.0 0.0 3.5 assign (resid 49 and name HN)(resid 51 and name HN ) 0.0 0.0 5.0 assign (resid 49 and name HN)(resid 50 and name HN ) 0.0 0.0 3.5 assign (resid 49 and name HN)(resid 52 and name HN ) 0.0 0.0 5.0 assign (resid 49 and name HN)(resid 47 and name HA ) 0.0 0.0 5.0 assign (resid 49 and name HN)(resid 49 and name HA ) 0.0 0.0 3.5 assign (resid 49 and name HN)(resid 48 and name HA ) 0.0 0.0 5.0 assign (resid 49 and name HN)(resid 48 and name HB# ) 0.0 1.0 6.0 assign (resid 49 and name HN)(resid 48 and name HG# ) 0.0 1.0 6.0 assign (resid 49 and name HN)(resid 49 and name HB# ) 0.0 1.0 4.5 assign (resid 49 and name HN)(resid 51 and name HG1# ) 0.0 1.5 6.5 !V51HG1#0.856 assign (resid 49 and name HN)(resid 52 and name HG2# ) 0.0 1.5 6.5 !ambiguous assign (resid 50 and name HN)(resid 47 and name HN ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 49 and name HN ) 0.0 0.0 3.5 assign (resid 50 and name HN)(resid 51 and name HN ) 0.0 0.0 3.5 assign (resid 50 and name HN)(resid 52 and name HN ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 53 and name HN ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 47 and name HA ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 49 and name HA ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 47 and name HB# ) 0.0 1.0 6.0 assign (resid 50 and name HN)(resid 48 and name HA ) 0.0 0.0 5.0 assign (resid 50 and name HN)(resid 50 and name HB# ) 0.0 1.0 6.0 assign (resid 50 and name HN)(resid 49 and name HB# ) 0.0 1.0 5.0 assign (resid 50 and name HN)(resid 53 and name HG2# ) 0.0 1.5 6.5 assign (resid 50 and name HN)(resid 50 and name HA ) 0.0 0.0 3.5 assign (resid 50 and name HN)(resid 50 and name HG# ) 0.0 1.0 6.0 assign (resid 51 and name HN)(resid 49 and name HN ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 52 and name HN ) 0.0 0.0 3.5 assign (resid 51 and name HN)(resid 50 and name HN ) 0.0 0.0 3.5 assign (resid 51 and name HN)(resid 48 and name HN ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 53 and name HN ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 54 and name HN ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 52 and name HB ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 49 and name HA ) 0.0 0.0 5.0 assign (resid 51 and name HN)(resid 51 and name HA ) 0.0 0.0 3.5 assign (resid 51 and name HN)(resid 48 and name HA ) 0.0 0.0 3.5 assign (resid 51 and name HN)(resid 48 and name HG# ) 0.0 1.0 6.0 assign (resid 51 and name HN)(resid 51 and name HB ) 0.0 0.0 3.5 assign (resid 51 and name HN)(resid 48 and name HB# ) 0.0 1.0 5.0 assign (resid 51 and name HN)(resid 51 and name HG1# ) 0.0 1.5 5.0 !V51HG1#0.856 assign (resid 51 and name HN)(resid 50 and name HA ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 53 and name HN ) 0.0 0.0 3.5 assign (resid 52 and name HN)(resid 55 and name HN ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 54 and name HN ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 51 and name HN ) 0.0 0.0 3.5 assign (resid 52 and name HN)(resid 50 and name HN ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 49 and name HN ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 55 and name HE# ) 0.0 2.0 7.0 assign (resid 52 and name HN)(resid 52 and name HB ) 0.0 0.0 3.5 assign (resid 52 and name HN)(resid 49 and name HA ) 0.0 0.0 3.5 !change from 5.0 assign (resid 52 and name HN)(resid 52 and name HA ) 0.0 0.0 3.5 assign (resid 52 and name HN)(resid 51 and name HA ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 55 and name HB# ) 0.0 1.0 6.0 assign (resid 52 and name HN)(resid 51 and name HB ) 0.0 0.0 3.5 assign (resid 52 and name HN)(resid 53 and name HB ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 53 and name HG1# ) 0.0 1.0 6.0 assign (resid 52 and name HN)(resid 52 and name HG2# ) 0.0 1.0 4.5 assign (resid 52 and name HN)(resid 51 and name HG2# ) 0.0 1.5 5.0 !V51HG2#0.934 assign (resid 52 and name HN)(resid 48 and name HN ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 50 and name HA ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 48 and name HA ) 0.0 0.0 5.0 assign (resid 52 and name HN)(resid 50 and name HB# ) 0.0 1.0 6.0 assign (resid 53 and name HN)(resid 50 and name HN ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 56 and name HN ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 52 and name HG2# ) 0.0 1.5 5.0 assign (resid 53 and name HN)(resid 54 and name HA ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 52 and name HA ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 53 and name HA ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 53 and name HB ) 0.0 0.0 5.0 assign (resid 53 and name HN)(resid 50 and name HA ) 0.0 0.0 4.0 !change from 4.0 assign (resid 53 and name HN)(resid 53 and name HG2# ) 0.0 1.5 5.0 assign (resid 53 and name HN)(resid 52 and name HB ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 57 and name HN ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 55 and name HN ) 0.0 0.0 3.5 assign (resid 54 and name HN)(resid 53 and name HN ) 0.0 0.0 3.5 assign (resid 54 and name HN)(resid 56 and name HN ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 52 and name HN ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 51 and name HA ) 0.0 0.0 4.0 !change from 4.0 assign (resid 54 and name HN)(resid 54 and name HB1 ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 54 and name HB2 ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 55 and name HD# ) 0.0 2.0 7.0 !not confirmed assign (resid 54 and name HN)(resid 55 and name HE# ) 0.0 2.0 7.0 !not confirmed assign (resid 54 and name HN)(resid 57 and name HB2 ) 0.0 0.0 5.0 !ambiguous assign (resid 54 and name HE1)(resid 58 and name HG# ) 0.0 1.0 4.5 assign (resid 54 and name HN)(resid 54 and name HA ) 0.0 0.0 3.5 assign (resid 54 and name HN)(resid 53 and name HA ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 52 and name HA ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 53 and name HB# ) 0.0 0.0 3.5 assign (resid 54 and name HN)(resid 52 and name HB ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 51 and name HB ) 0.0 0.0 5.0 assign (resid 54 and name HN)(resid 55 and name HA ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 54 and name HN ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 56 and name HN ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 57 and name HN ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 53 and name HN ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 54 and name HA ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 55 and name HA ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 52 and name HA ) 0.0 0.0 4.0 assign (resid 55 and name HN)(resid 53 and name HA ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 54 and name HB2 ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 54 and name HB1 ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 55 and name HB2 ) 0.0 0.0 3.5 assign (resid 55 and name HN)(resid 52 and name HB ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 51 and name HB ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 56 and name HB# ) 0.0 1.0 6.0 assign (resid 55 and name HN)(resid 52 and name HG2# ) 0.0 1.5 6.5 assign (resid 55 and name HN)(resid 53 and name HG2# ) 0.0 1.5 6.5 assign (resid 55 and name HN)(resid 58 and name HB2 ) 0.0 0.0 5.0 assign (resid 55 and name HN)(resid 53 and name HD1# ) 0.0 1.5 6.5 assign (resid 55 and name HN)(resid 54 and name HE3 ) 0.0 0.0 5.0 assign (resid 56 and name HN)(resid 55 and name HN ) 0.0 0.0 3.5 assign (resid 56 and name HN)(resid 57 and name HN ) 0.0 0.0 3.5 assign (resid 56 and name HN)(resid 58 and name HN ) 0.0 0.0 5.0 assign (resid 56 and name HN)(resid 59 and name HN ) 0.0 0.0 5.0 assign (resid 56 and name HN)(resid 56 and name HA ) 0.0 0.0 3.5 assign (resid 56 and name HN)(resid 53 and name HA ) 0.0 0.0 3.5 !from 5.0 assign (resid 56 and name HN)(resid 54 and name HB1 ) 0.0 0.0 5.0 assign (resid 56 and name HN)(resid 55 and name HB2 ) 0.0 0.0 5.0 assign (resid 56 and name HN)(resid 56 and name HG# ) 0.0 1.0 5.0 !change from HG1 3.5 assign (resid 56 and name HN)(resid 56 and name HB1 ) 0.0 0.0 3.5 assign (resid 56 and name HN)(resid 56 and name HB2 ) 0.0 0.0 3.5 assign (resid 56 and name HN)(resid 52 and name HG2# ) 0.0 1.5 6.5 assign (resid 56 and name HN)(resid 53 and name HG2# ) 0.0 1.5 6.5 assign (resid 57 and name HN)(resid 55 and name HN ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 56 and name HN ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 58 and name HN ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 59 and name HN ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 60 and name HN ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 57 and name HA ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 56 and name HA ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 55 and name HA ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 54 and name HA ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 58 and name HB2 ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 60 and name HG2# ) 0.0 1.5 6.0 assign (resid 57 and name HN)(resid 56 and name HB2 ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 56 and name HB1 ) 0.0 0.0 5.0 assign (resid 57 and name HN)(resid 57 and name HB2 ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 57 and name HB1 ) 0.0 0.0 3.5 assign (resid 57 and name HN)(resid 58 and name HB1 ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 55 and name HN ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 56 and name HN ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 57 and name HN ) 0.0 0.0 3.5 assign (resid 58 and name HN)(resid 59 and name HN ) 0.0 0.0 2.9 assign (resid 58 and name HN)(resid 60 and name HN ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 57 and name HA ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 56 and name HA ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 55 and name HA ) 0.0 0.0 3.5 !Change from 5.0 assign (resid 58 and name HN)(resid 58 and name HA ) 0.0 0.0 3.5 assign (resid 58 and name HN)(resid 57 and name HB1 ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 57 and name HB2 ) 0.0 0.0 3.5 assign (resid 58 and name HN)(resid 56 and name HB2 ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 61 and name HB2 ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 58 and name HG# ) 0.0 1.0 5.0 assign (resid 58 and name HN)(resid 58 and name HB2 ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 57 and name HN ) 0.0 0.0 5.0 assign (resid 59 and name HN)(resid 58 and name HN ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 62 and name HN ) 0.0 0.0 5.0 assign (resid 59 and name HN)(resid 60 and name HN ) 0.0 0.0 5.0 assign (resid 59 and name HN)(resid 59 and name HA ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 56 and name HA ) 0.0 0.0 3.5 !from 5.0 assign (resid 59 and name HN)(resid 60 and name HA ) 0.0 0.0 5.0 assign (resid 59 and name HN)(resid 58 and name HA ) 0.0 0.0 5.0 assign (resid 59 and name HN)(resid 57 and name HA ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 58 and name HB1 ) 0.0 0.0 4.0 assign (resid 59 and name HN)(resid 61 and name HB# ) 0.0 1.0 6.0 assign (resid 59 and name HN)(resid 60 and name HB ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 60 and name HG2# ) 0.0 1.5 6.5 assign (resid 59 and name HN)(resid 58 and name HG# ) 0.0 1.0 6.0 assign (resid 59 and name HN)(resid 58 and name HB2 ) 0.0 0.0 3.5 assign (resid 59 and name HN)(resid 59 and name HB# ) 0.0 1.0 4.5 assign (resid 59 and name HN)(resid 56 and name HB2 ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 58 and name HN ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 57 and name HN ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 63 and name HN ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 62 and name HN ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 61 and name HN ) 0.0 0.0 3.5 assign (resid 60 and name HN)(resid 59 and name HN ) 0.0 0.0 3.5 assign (resid 60 and name HN)(resid 59 and name HA ) 0.0 0.0 3.5 assign (resid 60 and name HN)(resid 61 and name HA ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 60 and name HA ) 0.0 0.0 3.5 assign (resid 60 and name HN)(resid 57 and name HA ) 0.0 0.0 3.5 assign (resid 60 and name HN)(resid 60 and name HB ) 0.0 0.0 2.9 assign (resid 60 and name HN)(resid 61 and name HB# ) 0.0 1.0 5.0 assign (resid 60 and name HN)(resid 60 and name HG1# ) 0.0 1.5 5.0 assign (resid 60 and name HN)(resid 63 and name HG# ) 0.0 1.0 6.0 assign (resid 60 and name HN)(resid 60 and name HG2# ) 0.0 1.5 5.0 assign (resid 60 and name HN)(resid 58 and name HA ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 56 and name HA ) 0.0 0.0 5.0 assign (resid 60 and name HN)(resid 59 and name HB# ) 0.0 1.0 5.0 assign (resid 60 and name HN)(resid 58 and name HB# ) 0.0 1.0 6.0 !too weak assign (resid 61 and name HN)(resid 64 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 60 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 62 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 63 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 58 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 59 and name HN ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 61 and name HA ) 0.0 0.0 3.5 assign (resid 61 and name HN)(resid 60 and name HB ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 61 and name HB1 ) 0.0 0.0 3.5 assign (resid 61 and name HN)(resid 58 and name HA ) 0.0 0.0 3.5 assign (resid 61 and name HN)(resid 60 and name HA ) 0.0 0.0 3.5 assign (resid 61 and name HN)(resid 59 and name HA ) 0.0 0.0 5.0 assign (resid 61 and name HN)(resid 57 and name HA ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 64 and name HN ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 63 and name HN ) 0.0 0.0 3.5 assign (resid 62 and name HN)(resid 60 and name HN ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 61 and name HN ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 59 and name HA ) 0.0 0.0 3.5 !modified from 5.0 assign (resid 62 and name HN)(resid 62 and name HA ) 0.0 0.0 3.5 assign (resid 62 and name HN)(resid 61 and name HA ) 0.0 0.0 3.5 assign (resid 62 and name HN)(resid 60 and name HA ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 63 and name HA ) 0.0 0.0 5.0 assign (resid 62 and name HN)(resid 62 and name HG2 ) 0.0 0.0 3.5 !from HG2 assign (resid 62 and name HN)(resid 62 and name HG1 ) 0.0 0.0 3.5 assign (resid 62 and name HN)(resid 62 and name HB# ) 0.0 1.0 4.5 assign (resid 62 and name HN)(resid 61 and name HB# ) 0.0 1.0 4.5 assign (resid 62 and name HN)(resid 63 and name HG# ) 0.0 1.0 4.5 assign (resid 62 and name HN)(resid 60 and name HG2# ) 0.0 1.5 6.5 assign (resid 63 and name HN)(resid 64 and name HN ) 0.0 0.0 5.0 assign (resid 63 and name HN)(resid 62 and name HN ) 0.0 0.0 5.0 assign (resid 63 and name HN)(resid 63 and name HA ) 0.0 0.0 2.9 assign (resid 63 and name HN)(resid 60 and name HA ) 0.0 0.0 5.0 assign (resid 63 and name HN)(resid 62 and name HG# ) 0.0 1.0 6.0 assign (resid 63 and name HN)(resid 62 and name HB1 ) 0.0 0.0 3.5 assign (resid 63 and name HN)(resid 63 and name HB# ) 0.0 1.0 4.5 assign (resid 63 and name HN)(resid 60 and name HG1# ) 0.0 1.5 6.5 assign (resid 64 and name HN)(resid 62 and name HN ) 0.0 0.0 5.0 assign (resid 64 and name HN)(resid 63 and name HN ) 0.0 0.0 5.0 assign (resid 64 and name HN)(resid 63 and name HB# ) 0.0 1.0 5.0 assign (resid 64 and name HN)(resid 63 and name HG# ) 0.0 1.0 5.0 assign (resid 64 and name HN)(resid 65 and name HG2# ) 0.0 1.5 6.5 assign (resid 65 and name HN)(resid 63 and name HG2 ) 0.0 0.0 5.0 assign (resid 65 and name HN)(resid 64 and name HA ) 0.0 0.0 3.5 !*************************************************************************************************** !Long range NOE-n15-noe (|i-j|>4) assign (resid 37 and name HN)(resid 32 and name HD1# ) 0.0 1.5 5.0 assign (resid 40 and name HN)(resid 32 and name HD1# ) 0.0 1.5 6.5 assign (resid 41 and name HN)(resid 54 and name HE3 ) 0.0 0.0 5.0 assign (resid 41 and name HN)(resid 51 and name HG1# ) 0.0 1.5 4.5 !V51HG1#0.856 assign (resid 52 and name HN)(resid 32 and name HD1# ) 0.0 1.5 6.5 assign (resid 54 and name HE1)(resid 22 and name HD2# ) 0.0 1.5 6.0 !L22HD2#-0.69 assign (resid 54 and name HN)(resid 22 and name HD2# ) 0.0 1.5 6.5 !L22HD2#-0.69 assign (resid 55 and name HN)(resid 32 and name HD1# ) 0.0 1.5 6.5 assign (resid 55 and name HN)(resid 31 and name HE# ) 0.0 2.0 5.5 assign (resid 55 and name HN)(resid 31 and name HZ ) 0.0 0.0 5.0 assign (resid 58 and name HN)(resid 26 and name HE# ) 0.0 2.0 7.0 assign (resid 58 and name HN)(resid 26 and name HD# ) 0.0 2.0 7.0 assign (resid 59 and name HN)(resid 26 and name HE# ) 0.0 2.0 7.0 assign (resid 59 and name HN)(resid 26 and name HD# ) 0.0 2.0 7.0 !********************************************************************************************* !NOE from 2D NOESY assign (resid 22 and name HD2#)(resid 55 and name HE# ) 0.0 2.5 7.5 assign (resid 31 and name HE#)(resid 26 and name HE# ) 0.0 2.0 7.0 assign (resid 31 and name HE#)(resid 26 and name HD# ) 0.0 2.0 7.0 assign (resid 54 and name HE3)(resid 55 and name HE# ) 0.0 2.0 7.0 assign (resid 54 and name HD1)(resid 55 and name HE# ) 0.0 2.0 7.0 assign (resid 55 and name HE#)(resid 31 and name HE# ) 0.0 2.0 6.0 assign (resid 58 and name HB#)(resid 26 and name HE# ) 0.0 3.0 7.0
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