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 |
|
|
5916 |
1i6f   |
5029 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!!K1 assign (resid 1 and name HA )(resid 1 and name HB1 ) 3.0 1.2 0.3 assign (resid 1 and name HA )(resid 1 and name HB2 ) 3.0 1.2 0.3 assign (resid 1 and name HA )(resid 1 and name HG# ) 4.0 3.2 2.0 assign (resid 1 and name HG# )(resid 1 and name HE1 ) 4.0 3.2 2.0 assign (resid 1 and name HG# )(resid 1 and name HE2 ) 4.0 3.2 2.0 assign (resid 1 and name HD# )(resid 1 and name HE1 ) 4.0 3.2 2.0 assign (resid 1 and name HD# )(resid 1 and name HE2 ) 4.0 3.2 2.0 assign (resid 1 and name HA )(resid 2 and name HN ) 2.3 0.5 0.2 assign (resid 1 and name HB1 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HB2 )(resid 2 and name HN ) 3.0 1.2 0.3 assign (resid 1 and name HG1 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HG2 )(resid 2 and name HN ) 4.0 2.2 1.0 assign (resid 1 and name HB# )(resid 47 and name HA ) 4.0 3.2 2.0 assign (resid 1 and name HG# )(resid 47 and name HA ) 4.0 3.2 2.0 assign (resid 1 and name HD# )(resid 47 and name HA ) 4.0 3.2 2.0 assign (resid 1 and name HE1 )(resid 47 and name HA ) 4.0 2.2 1.0 assign (resid 1 and name HE2 )(resid 47 and name HA ) 4.0 2.2 1.0 assign (resid 1 and name HE1 )(resid 49 and name HB# ) 4.0 3.3 2.1 assign (resid 1 and name HE2 )(resid 49 and name HB# ) 4.0 3.3 2.1 assign (resid 1 and name HE1 )(resid 51 and name HG1#) 4.0 3.3 2.1 assign (resid 1 and name HE2 )(resid 51 and name HG1#) 4.0 3.3 2.1 assign (resid 1 and name HE1 )(resid 51 and name HG2#) 4.0 3.3 2.1 assign (resid 1 and name HE2 )(resid 51 and name HG2#) 4.0 3.3 2.1 !!D2 t2g3, DF=B1 assign (resid 2 and name HN )(resid 2 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 2 and name HB1 ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 2 and name HB2 ) 3.0 1.2 0.3 assign (resid 2 and name HA )(resid 2 and name HB1 ) 3.0 1.2 0.3 assign (resid 2 and name HA )(resid 2 and name HB2 ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 3 and name HN ) 2.3 0.5 0.2 assign (resid 2 and name HB1 )(resid 3 and name HN ) 3.0 1.2 0.3 assign (resid 2 and name HB2 )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 41 and name HE1 ) 3.0 2.2 0.5 assign (resid 2 and name HB2 )(resid 41 and name HE1 ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 43 and name HA ) 3.0 1.2 0.3 assign (resid 2 and name HB2 )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 44 and name HN ) 3.0 1.2 0.3 assign (resid 2 and name HB2 )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HB1 )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 2 and name HA )(resid 45 and name HN ) 3.0 1.2 0.3 !!G3 assign (resid 3 and name HN )(resid 3 and name HA1 ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 3 and name HA2 ) 4.0 2.2 1.0 assign (resid 3 and name HA1 )(resid 4 and name HN ) 2.5 0.7 0.2 assign (resid 3 and name HA2 )(resid 4 and name HN ) 2.5 0.7 0.2 assign (resid 3 and name HN )(resid 4 and name HN ) 4.0 2.2 1.0 assign (resid 3 and name HA2 )(resid 41 and name HE# ) 2.5 2.7 2.2 assign (resid 3 and name HA1 )(resid 41 and name HE# ) 4.0 4.2 3.0 assign (resid 3 and name HA2 )(resid 41 and name HD# ) 4.0 4.2 3.0 assign (resid 3 and name HN )(resid 41 and name HD# ) 4.0 4.2 3.0 assign (resid 3 and name HN )(resid 41 and name HE# ) 4.0 4.2 3.0 assign (resid 3 and name HN )(resid 42 and name HN ) 3.0 1.2 0.3 assign (resid 3 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 3 and name HN )(resid 45 and name HD1#) 3.0 2.1 1.2 assign (resid 3 and name HA1 )(resid 51 and name HB ) 4.0 2.2 1.0 assign (resid 3 and name HA1 )(resid 51 and name HG1#) 4.0 3.3 2.1 assign (resid 3 and name HA1 )(resid 51 and name HG2#) 4.0 3.3 2.1 !!Tyr4 t2g3 UF=B1 assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 4 and name HB2 ) 2.5 0.7 0.2 assign (resid 4 and name HA )(resid 4 and name HB2 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 4 and name HB1 ) 3.0 1.2 0.3 assign (resid 4 and name HD# )(resid 4 and name HN ) 3.0 3.2 2.3 assign (resid 4 and name HE# )(resid 4 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 4 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 4 and name HA ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 4 and name HB2 ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 4 and name HB1 ) 3.0 3.2 2.3 assign (resid 4 and name HE# )(resid 4 and name HB2 ) 4.0 3.2 2.3 assign (resid 4 and name HE# )(resid 4 and name HB1 ) 4.0 3.2 2.3 assign (resid 4 and name HA )(resid 5 and name HD1 ) 2.5 0.7 0.2 assign (resid 4 and name HA )(resid 5 and name HD2 ) 2.5 0.7 0.2 assign (resid 4 and name HB1 )(resid 5 and name HD# ) 4.0 3.2 2.0 assign (resid 4 and name HB2 )(resid 5 and name HD# ) 4.0 3.2 2.0 assign (resid 4 and name HB1 )(resid 5 and name HD# ) 4.0 3.2 2.0 assign (resid 4 and name HB1 )(resid 12 and name HE# ) 4.0 3.2 2.0 assign (resid 4 and name HB2 )(resid 12 and name HE# ) 4.0 3.2 2.0 assign (resid 4 and name HD# )(resid 12 and name HB# ) 4.0 5.2 4.0 assign (resid 4 and name HD# )(resid 12 and name HG# ) 4.0 5.2 4.0 assign (resid 4 and name HD# )(resid 12 and name HE1 ) 4.0 3.2 3.0 assign (resid 4 and name HD# )(resid 12 and name HE2 ) 4.0 3.2 3.0 assign (resid 4 and name HD# )(resid 12 and name HE# ) 4.0 4.2 4.0 assign (resid 4 and name HE# )(resid 36 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 36 and name HB2 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 36 and name HB1 ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 39 and name HB2 ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 39 and name HB1 ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 39 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 39 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 39 and name HB2 ) 3.0 3.2 2.3 assign (resid 4 and name HE# )(resid 39 and name HB1 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 39 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HA )(resid 41 and name HA ) 2.5 0.7 0.2 assign (resid 4 and name HA )(resid 41 and name HE2 ) 4.0 2.2 1.0 assign (resid 4 and name HA )(resid 41 and name HD2 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 41 and name HD2 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 41 and name HE2 ) 4.0 2.2 1.0 assign (resid 4 and name HD# )(resid 41 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 41 and name HN ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 41 and name HD2 ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 41 and name HD2 ) 3.0 3.2 2.3 assign (resid 4 and name HD# )(resid 41 and name HE2 ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 41 and name HE2 ) 4.0 4.2 3.0 assign (resid 4 and name HD# )(resid 41 and name HA ) 4.0 4.2 3.0 assign (resid 4 and name HE# )(resid 41 and name HB# ) 4.0 6.2 5.0 assign (resid 4 and name HA )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 51 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 51 and name HB ) 3.0 1.2 0.3 assign (resid 4 and name HN )(resid 51 and name HG2# ) 4.0 3.3 2.1 assign (resid 4 and name HN )(resid 51 and name HG1# ) 3.0 2.3 1.4 assign (resid 4 and name HN )(resid 52 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HD2 )(resid 52 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HB1 )(resid 52 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HB2 )(resid 52 and name HN ) 3.0 1.2 0.3 assign (resid 4 and name HB1 )(resid 52 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HB2 )(resid 52 and name HB1 ) 3.0 1.2 0.3 assign (resid 4 and name HB2 )(resid 52 and name HB2 ) 4.0 2.2 1.0 assign (resid 4 and name HN )(resid 52 and name HN ) 3.0 1.2 0.3 assign (resid 4 and name HD2 )(resid 52 and name HB1 ) 4.0 2.2 1.0 assign (resid 4 and name HD2 )(resid 53 and name HA ) 4.0 2.2 1.0 assign (resid 4 and name HD2 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 4 and name HE# )(resid 55 and name HB# ) 4.0 3.3 2.1 !!P5 assign (resid 5 and name HA )(resid 5 and name HB1 ) 4.0 2.2 1.0 assign (resid 5 and name HA )(resid 5 and name HB2 ) 4.0 2.2 1.0 assign (resid 5 and name HG# )(resid 5 and name HD1 ) 3.0 2.2 1.3 assign (resid 5 and name HG# )(resid 5 and name HD2 ) 3.0 2.2 1.3 assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.2 assign (resid 5 and name HB1 )(resid 6 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HB2 )(resid 6 and name HN ) 3.0 1.2 0.3 assign (resid 5 and name HB2 )(resid 13 and name HD2#) 4.0 3.3 2.1 assign (resid 5 and name HB1 )(resid 28 and name HE# ) 4.0 3.2 2.0 assign (resid 5 and name HB2 )(resid 28 and name HE# ) 4.0 3.2 2.0 assign (resid 5 and name HG# )(resid 28 and name HE# ) 4.0 4.2 3.0 assign (resid 5 and name HD1 )(resid 41 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HD2 )(resid 41 and name HA ) 4.0 2.2 1.0 assign (resid 5 and name HD1 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HD2 )(resid 42 and name HN ) 4.0 2.2 1.0 assign (resid 5 and name HB1 )(resid 45 and name HD1#) 4.0 3.3 2.1 assign (resid 5 and name HB1 )(resid 45 and name HD2#) 4.0 3.3 2.1 assign (resid 5 and name HA )(resid 51 and name HG2#) 4.0 3.3 2.1 assign (resid 5 and name HA )(resid 51 and name HG1#) 3.0 2.3 1.4 assign (resid 5 and name HA )(resid 52 and name HN ) 4.0 2.2 1.0 !!Val6 g- UF=HG2 assign (resid 6 and name HN )(resid 6 and name HA ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 6 and name HB ) 4.0 2.2 1.0 assign (resid 6 and name HN )(resid 6 and name HG2#) 2.5 1.4 0.9 assign (resid 6 and name HN )(resid 6 and name HG1#) 4.0 3.3 2.1 assign (resid 6 and name HA )(resid 6 and name HB ) 2.5 0.7 0.2 assign (resid 6 and name HA )(resid 6 and name HG2#) 4.0 3.3 2.1 assign (resid 6 and name HA )(resid 6 and name HG1#) 2.5 1.4 0.9 assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HA )(resid 7 and name HN ) 2.3 0.5 0.2 assign (resid 6 and name HB )(resid 7 and name HN ) 2.3 0.5 0.2 assign (resid 6 and name HG1#)(resid 7 and name HN ) 3.0 2.1 1.4 assign (resid 6 and name HG2#)(resid 7 and name HN ) 3.0 2.1 1.4 assign (resid 6 and name HA )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HB )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HB )(resid 10 and name HA1 ) 4.0 2.2 1.0 assign (resid 6 and name HB )(resid 10 and name HA2 ) 4.0 2.2 1.0 assign (resid 6 and name HG1#)(resid 10 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 10 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 10 and name HA1 ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 10 and name HA2 ) 4.0 3.3 2.1 assign (resid 6 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HG1#)(resid 11 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 11 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HA )(resid 12 and name HA ) 3.0 1.2 0.3 assign (resid 6 and name HG1#)(resid 12 and name HA ) 3.0 2.1 1.4 assign (resid 6 and name HG1#)(resid 12 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 12 and name HG# ) 4.0 4.3 3.1 assign (resid 6 and name HG1#)(resid 12 and name HD# ) 4.0 4.3 3.1 assign (resid 6 and name HA )(resid 13 and name HN ) 4.0 3.2 2.0 assign (resid 6 and name HG2#)(resid 50 and name HB# ) 4.0 4.3 3.1 assign (resid 6 and name HG2#)(resid 50 and name HG1 ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 50 and name HG2 ) 4.0 3.3 2.1 assign (resid 6 and name HG2#)(resid 50 and name HD# ) 4.0 4.3 3.1 assign (resid 6 and name HN )(resid 51 and name HA ) 3.0 1.2 0.3 assign (resid 6 and name HN )(resid 51 and name HG1#) 3.0 2.1 1.4 assign (resid 6 and name HG2#)(resid 51 and name HA ) 3.0 2.1 1.4 assign (resid 6 and name HG1#)(resid 51 and name HA ) 3.0 2.1 1.4 assign (resid 6 and name HN )(resid 52 and name HN ) 4.0 2.2 1.0 assign (resid 6 and name HG2#)(resid 52 and name HN ) 4.0 3.3 2.1 assign (resid 6 and name HG1#)(resid 52 and name HN ) 3.0 2.1 1.4 assign (resid 6 and name HG1#)(resid 52 and name HA ) 3.0 2.1 1.4 assign (resid 6 and name HG1#)(resid 52 and name HB1 ) 3.0 2.1 1.4 assign (resid 6 and name HG1#)(resid 52 and name HB2 ) 3.0 2.1 1.4 !!D7 UF=B1 assign (resid 7 and name HN )(resid 7 and name HA ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 7 and name HB1 ) 3.0 1.2 0.3 assign (resid 7 and name HN )(resid 7 and name HB2 ) 4.0 2.2 1.0 assign (resid 7 and name HA )(resid 7 and name HB1 ) 2.5 0.7 0.2 assign (resid 7 and name HA )(resid 7 and name HB2 ) 2.5 0.7 0.2 assign (resid 7 and name HB1 )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB2 )(resid 8 and name HN ) 2.3 0.5 0.2 assign (resid 7 and name HA )(resid 8 and name HN ) 3.0 1.2 0.3 assign (resid 7 and name HN )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HA )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB1 )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HB2 )(resid 9 and name HN ) 3.0 1.2 0.3 assign (resid 7 and name HA )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 7 and name HN )(resid 10 and name HN ) 4.0 2.2 1.0 !!S8 g2g3 DF=B1 based on HB1/K9HN assign (resid 8 and name HN )(resid 8 and name HA ) 3.0 1.2 0.3 assign (resid 8 and name HB1 )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HB2 )(resid 8 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HA )(resid 8 and name HB1 ) 2.5 0.7 0.2 assign (resid 8 and name HA )(resid 8 and name HB2 ) 2.5 0.7 0.2 assign (resid 8 and name HA )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HN )(resid 9 and name HN ) 3.0 1.2 0.3 assign (resid 8 and name HB1 )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HB2 )(resid 9 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HN )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 8 and name HA )(resid 10 and name HN ) 4.0 2.2 1.0 !!K9 assign (resid 9 and name HN )(resid 9 and name HA ) 3.0 1.2 0.3 assign (resid 9 and name HN )(resid 9 and name HB1 ) 3.0 1.2 0.3 assign (resid 9 and name HN )(resid 9 and name HB2 ) 3.0 1.2 0.3 assign (resid 9 and name HA )(resid 9 and name HB1 ) 4.0 2.2 1.0 assign (resid 9 and name HA )(resid 9 and name HB2 ) 3.0 1.2 0.3 assign (resid 9 and name HA )(resid 9 and name HG1 ) 4.0 2.2 1.0 assign (resid 9 and name HA )(resid 9 and name HG2 ) 4.0 2.2 1.0 assign (resid 9 and name HA )(resid 9 and name HD# ) 4.0 3.2 2.0 assign (resid 9 and name HN )(resid 10 and name HN ) 3.0 1.2 0.3 assign (resid 9 and name HA )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HB1 )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HB2 )(resid 10 and name HN ) 4.0 2.2 1.0 assign (resid 9 and name HN )(resid 11 and name HN ) 4.0 2.2 1.0 !!G10 assign (resid 10 and name HN )(resid 10 and name HA1 ) 3.0 1.2 0.3 assign (resid 10 and name HN )(resid 10 and name HA2 ) 3.0 1.2 0.3 assign (resid 10 and name HA1 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HA2 )(resid 11 and name HN ) 4.0 2.2 1.0 assign (resid 10 and name HN )(resid 11 and name HN ) 2.3 0.5 0.2 !!Cys11 t2g3 UF=B1 assign (resid 11 and name HN )(resid 11 and name HA ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 11 and name HB1 ) 4.0 2.2 1.0 assign (resid 11 and name HN )(resid 11 and name HB2 ) 3.0 1.2 0.3 assign (resid 11 and name HA )(resid 11 and name HB1 ) 3.0 1.2 0.3 assign (resid 11 and name HA )(resid 11 and name HB2 ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 12 and name HN ) 2.3 0.5 0.2 assign (resid 11 and name HB1 )(resid 12 and name HN ) 3.0 1.2 0.3 assign (resid 11 and name HB2 )(resid 12 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name HA )(resid 59 and name HN ) 4.0 2.2 1.0 assign (resid 11 and name CB )(resid 59 and name SG ) 3.0 0.1 0.1 assign (resid 11 and name SG )(resid 59 and name SG ) 2.0 0.1 0.1 assign (resid 11 and name SG )(resid 59 and name CB ) 3.0 0.1 0.1 !!K12 08jan99 set to t2g3 assign (resid 12 and name HN )(resid 12 and name HA ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HB1 ) 4.0 2.2 1.0 assign (resid 12 and name HN )(resid 12 and name HB2 ) 2.5 0.7 0.2 assign (resid 12 and name HN )(resid 12 and name HG# ) 4.0 3.2 2.0 assign (resid 12 and name HA )(resid 12 and name HB1 ) 2.5 0.7 0.2 assign (resid 12 and name HA )(resid 12 and name HB2 ) 4.0 2.2 1.0 assign (resid 12 and name HA )(resid 12 and name HG# ) 4.0 3.2 2.0 assign (resid 12 and name HG# )(resid 12 and name HE1 ) 4.0 3.2 2.0 assign (resid 12 and name HG# )(resid 12 and name HE2 ) 4.0 3.2 2.0 assign (resid 12 and name HD# )(resid 12 and name HE1 ) 4.0 3.2 2.0 assign (resid 12 and name HD# )(resid 12 and name HE2 ) 4.0 3.2 2.0 assign (resid 12 and name HA )(resid 12 and name HD# ) 4.0 3.2 2.0 assign (resid 12 and name HA )(resid 13 and name HN ) 2.3 0.5 0.2 assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HB2 )(resid 13 and name HN ) 4.0 2.2 1.0 assign (resid 12 and name HB1 )(resid 13 and name HN ) 3.0 1.2 0.3 !! need to add 12/39 !!remove these 10dec98 assign (resid 12 and name HE# )(resid 52 and name HB1 ) 4.0 3.2 2.0 assign (resid 12 and name HE# )(resid 52 and name HB2 ) 4.0 3.2 2.0 !!L13 assign (resid 13 and name HN )(resid 13 and name HA ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HB# ) 4.0 3.2 2.0 assign (resid 13 and name HN )(resid 13 and name HG ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 13 and name HD# ) 4.0 4.8 3.6 assign (resid 13 and name HA )(resid 13 and name HB# ) 3.0 2.2 1.3 assign (resid 13 and name HA )(resid 13 and name HG ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 13 and name HD1#) 4.0 3.3 2.1 assign (resid 13 and name HA )(resid 13 and name HD2#) 4.0 3.3 2.1 assign (resid 13 and name HA )(resid 14 and name HN ) 2.3 0.5 0.2 assign (resid 13 and name HB# )(resid 14 and name HN ) 4.0 3.2 2.0 assign (resid 13 and name HN )(resid 14 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HB# )(resid 20 and name HE# ) 3.0 4.2 3.3 assign (resid 13 and name HG )(resid 20 and name HE# ) 3.0 3.2 2.3 assign (resid 13 and name HD1#)(resid 20 and name HE# ) 4.0 5.3 4.1 assign (resid 13 and name HD2#)(resid 20 and name HE# ) 3.0 2.1 1.2 assign (resid 13 and name HD1#)(resid 28 and name HE# ) 4.0 4.3 3.1 assign (resid 13 and name HD2#)(resid 28 and name HE# ) 4.0 4.3 3.1 assign (resid 13 and name HN )(resid 39 and name HB1 ) 4.0 2.2 1.0 assign (resid 13 and name HA )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HB1 )(resid 40 and name HN ) 4.0 2.2 1.0 assign (resid 13 and name HD# )(resid 40 and name HN ) 4.0 4.8 3.6 !!S14 assign (resid 14 and name HN )(resid 14 and name HA ) 4.0 2.2 1.0 assign (resid 14 and name HN )(resid 14 and name HB1 ) 4.0 2.2 1.0 assign (resid 14 and name HN )(resid 14 and name HB2 ) 3.0 1.2 0.3 assign (resid 14 and name HA )(resid 14 and name HB1 ) 3.0 1.2 0.3 assign (resid 14 and name HA )(resid 14 and name HB2 ) 4.0 2.2 1.0 assign (resid 14 and name HN )(resid 15 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HB1 )(resid 15 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HB2 )(resid 15 and name HN ) 4.0 2.2 1.0 assign (resid 14 and name HA )(resid 15 and name HN ) 2.3 0.5 0.2 assign (resid 14 and name HA )(resid 39 and name HA ) 3.0 1.2 0.3 assign (resid 14 and name HA )(resid 40 and name HN ) 4.0 2.2 1.0 !!Cys15 g2g3 UF=B2 assign (resid 15 and name HN )(resid 15 and name HA ) 4.0 2.2 1.0 assign (resid 15 and name HN )(resid 15 and name HB1 ) 3.0 1.2 0.3 assign (resid 15 and name HN )(resid 15 and name HB2 ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 15 and name HB1 ) 3.0 1.2 0.3 assign (resid 15 and name HA )(resid 15 and name HB2 ) 3.0 1.2 0.3 assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 16 and name HN ) 2.5 0.7 0.2 assign (resid 15 and name HB1 )(resid 16 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HB2 )(resid 16 and name HN ) 3.0 1.2 0.3 assign (resid 15 and name HA )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HB2 )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 15 and name HA )(resid 20 and name HD# ) 3.0 3.2 2.3 assign (resid 15 and name HA )(resid 20 and name HE# ) 4.0 4.2 3.0 assign (resid 15 and name HB# )(resid 20 and name HD# ) 3.0 4.2 3.5 assign (resid 15 and name HB# )(resid 20 and name HE# ) 4.0 5.2 4.0 assign (resid 15 and name CB )(resid 35 and name SG ) 3.0 0.1 0.1 assign (resid 15 and name SG )(resid 35 and name SG ) 2.0 0.1 0.1 assign (resid 15 and name SG )(resid 35 and name CB ) 3.0 0.1 0.1 assign (resid 15 and name HN )(resid 39 and name HA ) 3.0 1.2 0.3 assign (resid 15 and name HN )(resid 40 and name HN ) 4.0 2.2 1.0 !!V16 t UF=HG1 assign (resid 16 and name HN )(resid 16 and name HA ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 16 and name HB ) 4.0 2.2 1.0 assign (resid 16 and name HG1#)(resid 16 and name HN ) 2.5 1.4 0.9 assign (resid 16 and name HG2#)(resid 16 and name HN ) 4.0 3.3 2.1 assign (resid 16 and name HG2#)(resid 16 and name HA ) 2.5 1.4 0.9 assign (resid 16 and name HG1#)(resid 16 and name HA ) 4.0 3.3 2.1 assign (resid 16 and name HB )(resid 16 and name HA ) 2.5 0.7 0.2 assign (resid 16 and name HN )(resid 17 and name HN ) 2.3 0.5 0.2 assign (resid 16 and name HA )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HB )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HG1#)(resid 17 and name HN ) 3.0 2.1 1.4 assign (resid 16 and name HG2#)(resid 17 and name HN ) 4.0 3.2 2.0 assign (resid 16 and name HA )(resid 17 and name HN ) 4.0 2.2 1.0 assign (resid 16 and name HN )(resid 20 and name HD# ) 4.0 4.2 3.0 assign (resid 16 and name HN )(resid 20 and name HE# ) 4.0 4.2 3.0 !!A17 assign (resid 17 and name HN )(resid 17 and name HA ) 4.0 2.2 1.0 assign (resid 17 and name HN )(resid 17 and name HB# ) 2.5 1.4 0.9 assign (resid 17 and name HN )(resid 18 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HA )(resid 18 and name HN ) 2.3 0.5 0.2 assign (resid 17 and name HB# )(resid 18 and name HN ) 3.0 2.1 1.4 assign (resid 17 and name HA )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 17 and name HB# )(resid 19 and name HN ) 3.0 2.1 1.4 assign (resid 17 and name HB# )(resid 20 and name HN ) 3.0 2.1 1.4 assign (resid 17 and name HB# )(resid 20 and name HD# ) 4.0 5.3 4.1 assign (resid 17 and name HB# )(resid 20 and name HE# ) 4.0 5.3 4.1 assign (resid 17 and name HN )(resid 20 and name HB1 ) 4.0 2.2 1.0 assign (resid 17 and name HB# )(resid 20 and name HB1 ) 4.0 3.3 2.1 assign (resid 17 and name HB# )(resid 20 and name HB2 ) 4.0 3.3 2.1 !!N18 t2g3 DF=B1 assign (resid 18 and name HN )(resid 18 and name HA ) 3.0 1.2 0.3 assign (resid 18 and name HN )(resid 18 and name HB2 ) 3.0 1.2 0.3 assign (resid 18 and name HN )(resid 18 and name HB1 ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 18 and name HB1 ) 3.0 1.2 0.3 assign (resid 18 and name HA )(resid 18 and name HB2 ) 4.0 2.2 1.0 assign (resid 18 and name HB1 )(resid 18 and name HD21) 3.0 1.2 0.3 assign (resid 18 and name HB1 )(resid 18 and name HD22) 4.0 2.2 1.0 assign (resid 18 and name HB2 )(resid 18 and name HD21) 2.5 0.7 0.2 assign (resid 18 and name HB2 )(resid 18 and name HD22) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 19 and name HN ) 3.0 1.2 0.3 assign (resid 18 and name HA )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HB1 )(resid 19 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HN )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 21 and name HB1 ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 18 and name HB1 )(resid 34 and name HA ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 34 and name HA ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 35 and name HN ) 2.5 0.7 0.2 !! make this very weak 24apr98 for d8h assign (resid 18 and name HN )(resid 35 and name HN ) 5.0 2.2 1.0 assign (resid 18 and name HB1 )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 35 and name HB1 ) 4.0 2.2 1.0 assign (resid 18 and name HA )(resid 35 and name HB2 ) 4.0 2.2 1.0 !!N19 g2g3 UF=B2 assign (resid 19 and name HN )(resid 19 and name HA ) 3.0 1.2 0.3 assign (resid 19 and name HN )(resid 19 and name HB1 ) 3.0 1.2 0.3 assign (resid 19 and name HN )(resid 19 and name HB2 ) 4.0 2.2 1.0 assign (resid 19 and name HA )(resid 19 and name HB1 ) 2.5 0.7 0.2 assign (resid 19 and name HA )(resid 19 and name HB2 ) 2.5 0.7 0.2 assign (resid 19 and name HB1 )(resid 19 and name HD21) 3.0 1.2 0.3 assign (resid 19 and name HB1 )(resid 19 and name HD22) 4.0 2.2 1.0 assign (resid 19 and name HB2 )(resid 19 and name HD21) 3.0 1.2 0.3 assign (resid 19 and name HB2 )(resid 19 and name HD22) 4.0 2.2 1.0 assign (resid 19 and name HB1 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HB2 )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 20 and name HN ) 3.0 1.2 0.3 assign (resid 19 and name HA )(resid 20 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HN )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 19 and name HA )(resid 22 and name HB1) 3.0 1.2 0.3 assign (resid 19 and name HA )(resid 22 and name HB2) 3.0 1.2 0.3 assign (resid 19 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 !!Y20 g2t3 UF=B1 assign (resid 20 and name HN )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HB1 )(resid 20 and name HN ) 2.5 0.7 0.2 assign (resid 20 and name HB2 )(resid 20 and name HN ) 3.0 1.2 0.3 assign (resid 20 and name HB1 )(resid 20 and name HA ) 4.0 2.2 1.0 assign (resid 20 and name HB2 )(resid 20 and name HA ) 3.0 1.2 0.3 assign (resid 20 and name HB2 )(resid 20 and name HD# ) 3.0 1.2 2.5 assign (resid 20 and name HB1 )(resid 20 and name HD# ) 3.0 3.2 2.3 assign (resid 20 and name HA )(resid 20 and name HD# ) 3.0 3.2 2.3 assign (resid 20 and name HB2 )(resid 20 and name HE# ) 4.0 4.2 3.0 assign (resid 20 and name HB1 )(resid 20 and name HE# ) 4.0 4.2 3.0 assign (resid 20 and name HA )(resid 20 and name HE# ) 4.0 4.2 3.0 assign (resid 20 and name HD# )(resid 21 and name HB1 ) 4.0 4.2 3.0 assign (resid 20 and name HD# )(resid 21 and name HB2 ) 4.0 4.2 3.0 assign (resid 20 and name HB1 )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HB2 )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 21 and name HN ) 3.0 1.2 0.3 assign (resid 20 and name HA )(resid 21 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HN )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 20 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 !!C21 15apr98 set to g2t3 UF=B1 !! 05jan set to t2g3 assign (resid 21 and name HN )(resid 21 and name HA ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HB1 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 21 and name HB1 ) 2.5 0.7 0.2 assign (resid 21 and name HA )(resid 21 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name HN )(resid 22 and name HN ) 3.0 1.2 0.3 assign (resid 21 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 22 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 24 and name HB# ) 4.0 3.2 2.0 assign (resid 21 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 34 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 34 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 34 and name HA ) 4.0 2.2 1.0 assign (resid 21 and name HB2 )(resid 34 and name HA ) 4.0 2.2 1.0 assign (resid 21 and name HB1 )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 21 and name HA )(resid 40 and name HB2 ) 4.0 2.2 1.0 assign (resid 21 and name CB )(resid 40 and name SG ) 3.0 0.1 0.1 assign (resid 21 and name SG )(resid 40 and name SG ) 2.0 0.1 0.1 assign (resid 21 and name SG )(resid 40 and name CB ) 3.0 0.1 0.1 !!D22 g2t3 UF=B1 assign (resid 22 and name HN )(resid 22 and name HA ) 3.0 1.2 0.3 assign (resid 22 and name HN )(resid 22 and name HB1 ) 3.0 1.2 0.3 assign (resid 22 and name HN )(resid 22 and name HB2 ) 3.0 1.2 0.3 assign (resid 22 and name HA )(resid 22 and name HB1 ) 4.0 2.2 1.0 assign (resid 22 and name HA )(resid 22 and name HB2 ) 3.0 1.2 0.3 assign (resid 22 and name HN )(resid 23 and name HN ) 3.0 1.2 0.3 assign (resid 22 and name HA )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HB1 )(resid 23 and name HN ) 2.5 0.7 0.2 assign (resid 22 and name HB2 )(resid 23 and name HN ) 4.0 2.2 1.0 assign (resid 22 and name HN )(resid 34 and name HA ) 4.0 2.2 1.0 !!N23 g2t3 13may99 DF=B2 assign (resid 23 and name HN )(resid 23 and name HA ) 3.0 1.2 0.3 assign (resid 23 and name HN )(resid 23 and name HB1 ) 3.0 1.2 0.3 assign (resid 23 and name HN )(resid 23 and name HB2 ) 3.0 1.2 0.3 assign (resid 23 and name HA )(resid 23 and name HB1 ) 3.0 1.2 0.3 assign (resid 23 and name HA )(resid 23 and name HB2 ) 3.0 1.2 0.3 assign (resid 23 and name HN )(resid 24 and name HN ) 3.0 1.2 0.3 assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HB1 )(resid 24 and name HN ) 3.0 1.2 0.3 assign (resid 23 and name HB2 )(resid 24 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 23 and name HA )(resid 26 and name HB1 ) 3.0 1.2 0.3 assign (resid 23 and name HA )(resid 26 and name HB2 ) 3.0 1.2 0.3 assign (resid 23 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 !!Q24 g2t3 assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.3 assign (resid 24 and name HN )(resid 24 and name HB1 ) 3.0 1.2 0.3 assign (resid 24 and name HN )(resid 24 and name HB2 ) 3.0 1.2 0.3 assign (resid 24 and name HN )(resid 24 and name HG1 ) 4.0 2.2 1.0 assign (resid 24 and name HN )(resid 24 and name HG2 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 24 and name HB1 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 24 and name HB2 ) 3.0 1.2 0.3 assign (resid 24 and name HA )(resid 24 and name HG1 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 24 and name HG2 ) 4.0 2.2 1.0 assign (resid 24 and name HG# )(resid 24 and name HE22) 4.0 2.2 1.0 assign (resid 24 and name HG# )(resid 24 and name HE21) 3.0 1.2 0.3 assign (resid 24 and name HN )(resid 25 and name HN ) 3.0 1.2 0.3 assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HB# )(resid 25 and name HN ) 3.0 2.2 1.3 assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HB1 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0 assign (resid 24 and name HA )(resid 27 and name HG# ) 4.0 3.2 2.0 assign (resid 24 and name HA )(resid 27 and name HE# ) 3.0 2.1 1.4 assign (resid 24 and name HE21)(resid 27 and name HE# ) 4.0 3.3 2.1 assign (resid 24 and name HE22)(resid 27 and name HE# ) 3.0 2.1 1.4 !!C25 t2g3 UF=B1 assign (resid 25 and name HN )(resid 25 and name HA ) 3.0 1.2 0.3 assign (resid 25 and name HN )(resid 25 and name HB1 ) 4.0 2.2 1.0 assign (resid 25 and name HN )(resid 25 and name HB2 ) 3.0 1.2 0.3 assign (resid 25 and name HA )(resid 25 and name HB1 ) 3.0 1.2 0.3 assign (resid 25 and name HA )(resid 25 and name HB2 ) 4.0 2.2 1.0 assign (resid 25 and name HB1 )(resid 26 and name HN ) 3.0 1.2 0.3 assign (resid 25 and name HB2 )(resid 26 and name HN ) 3.0 1.2 0.3 assign (resid 25 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HN )(resid 26 and name HN ) 3.0 1.2 0.3 assign (resid 25 and name HN )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 28 and name HB1 ) 4.0 2.2 1.0 assign (resid 25 and name HA )(resid 28 and name HB2 ) 3.0 1.2 0.3 assign (resid 25 and name HA )(resid 30 and name HB# ) 4.0 3.3 2.1 assign (resid 25 and name HB1 )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HB1 )(resid 30 and name HB# ) 2.5 1.4 0.9 assign (resid 25 and name HB2 )(resid 30 and name HB# ) 3.0 2.1 1.4 assign (resid 25 and name HB1 )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name HB1 )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 25 and name CB )(resid 42 and name SG ) 3.0 0.1 0.1 assign (resid 25 and name SG )(resid 42 and name SG ) 2.0 0.1 0.1 assign (resid 25 and name SG )(resid 42 and name CB ) 3.0 0.1 0.1 !!K26 assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.3 assign (resid 26 and name HN )(resid 26 and name HB1 ) 3.0 1.2 0.3 assign (resid 26 and name HN )(resid 26 and name HB2 ) 2.5 0.7 0.2 assign (resid 26 and name HA )(resid 26 and name HB1 ) 3.0 1.2 0.3 assign (resid 26 and name HA )(resid 26 and name HB2 ) 3.0 1.2 0.3 assign (resid 26 and name HA )(resid 26 and name HG1 ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 26 and name HG2 ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 27 and name HN ) 3.0 1.2 0.3 assign (resid 26 and name HB1 )(resid 27 and name HN ) 3.0 1.2 0.3 assign (resid 26 and name HB2 )(resid 27 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 26 and name HA )(resid 30 and name HN ) 3.0 1.2 0.3 assign (resid 26 and name HA )(resid 30 and name HB# ) 4.0 3.3 2.1 !!M27 (code #48) 10feb99 t2g3 assign (resid 27 and name HN )(resid 27 and name HA ) 3.0 1.2 0.3 assign (resid 27 and name HN )(resid 27 and name HB1 ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 27 and name HB2 ) 3.0 1.2 0.3 assign (resid 27 and name HN )(resid 27 and name HG1 ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 27 and name HG2 ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 27 and name HB1 ) 3.0 1.2 0.3 assign (resid 27 and name HA )(resid 27 and name HB2 ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 27 and name HG1 ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 27 and name HG2 ) 4.0 2.2 1.0 assign (resid 27 and name HB2 )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HA )(resid 28 and name HN ) 4.0 2.2 1.0 assign (resid 27 and name HN )(resid 28 and name HN ) 3.0 1.2 0.3 assign (resid 27 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 !!K28 assign (resid 28 and name HN )(resid 28 and name HA ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 28 and name HB1 ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 28 and name HB2 ) 2.5 0.7 0.2 assign (resid 28 and name HA )(resid 28 and name HB1 ) 2.5 0.7 0.2 assign (resid 28 and name HA )(resid 28 and name HB2 ) 4.0 2.2 1.0 assign (resid 28 and name HA )(resid 28 and name HG# ) 3.0 2.2 1.3 assign (resid 28 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 assign (resid 28 and name HN )(resid 29 and name HN ) 3.0 1.2 0.3 assign (resid 28 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0 !!K29 assign (resid 29 and name HN )(resid 29 and name HA ) 2.3 0.5 0.2 assign (resid 29 and name HN )(resid 29 and name HB1 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 29 and name HB2 ) 3.0 1.2 0.3 assign (resid 29 and name HN )(resid 29 and name HG1 ) 4.0 2.2 1.0 assign (resid 29 and name HN )(resid 29 and name HG2 ) 4.0 2.2 1.0 assign (resid 29 and name HA )(resid 29 and name HB1 ) 4.0 2.2 1.0 assign (resid 29 and name HA )(resid 29 and name HB2 ) 3.0 1.2 0.3 assign (resid 29 and name HA )(resid 29 and name HG1 ) 4.0 2.2 1.0 assign (resid 29 and name HA )(resid 29 and name HG2 ) 4.0 2.2 1.0 assign (resid 29 and name HB1 )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 29 and name HA )(resid 30 and name HN ) 3.0 1.2 0.3 assign (resid 29 and name HN )(resid 30 and name HN ) 3.0 1.2 0.3 !!A30 assign (resid 30 and name HA )(resid 30 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HB# )(resid 30 and name HN ) 2.5 1.7 1.2 assign (resid 30 and name HN )(resid 31 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 31 and name HN ) 2.5 0.7 0.2 assign (resid 30 and name HB# )(resid 31 and name HN ) 2.5 1.4 0.9 assign (resid 30 and name HA )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 30 and name HB# )(resid 32 and name HN ) 3.0 2.1 1.4 assign (resid 30 and name HB# )(resid 42 and name HA ) 4.0 3.3 2.1 assign (resid 30 and name HB# )(resid 42 and name HB1 ) 2.5 1.4 0.9 assign (resid 30 and name HB# )(resid 42 and name HB2 ) 2.5 1.4 0.9 assign (resid 30 and name HB# )(resid 43 and name HN ) 4.0 3.3 2.1 assign (resid 30 and name HB# )(resid 44 and name HN ) 4.0 3.3 2.1 assign (resid 30 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HA )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 30 and name HN )(resid 45 and name HD# ) 4.0 4.8 3.6 assign (resid 30 and name HB# )(resid 45 and name HD1#) 4.0 4.4 3.2 assign (resid 30 and name HB# )(resid 45 and name HD2#) 4.0 4.4 3.2 assign (resid 30 and name HA )(resid 46 and name HD# ) 4.0 3.2 2.0 !!S31 assign (resid 31 and name HN )(resid 31 and name HA ) 3.0 1.2 0.3 assign (resid 31 and name HN )(resid 31 and name HB# ) 4.0 3.2 2.0 assign (resid 31 and name HN )(resid 32 and name HN ) 2.5 0.7 0.2 assign (resid 31 and name HA )(resid 32 and name HN ) 4.0 2.2 1.0 assign (resid 31 and name HB# )(resid 32 and name HN ) 3.0 2.2 1.3 !!assign (resid 31 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 !!assign (resid 31 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 44 and name HA1 ) 4.0 2.2 1.0 assign (resid 31 and name HN )(resid 44 and name HA1 ) 4.0 2.2 1.0 !!G32 assign (resid 32 and name HA1 )(resid 32 and name HN ) 3.0 1.2 0.3 assign (resid 32 and name HA2 )(resid 32 and name HN ) 3.0 1.2 0.3 assign (resid 32 and name HA1 )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HA2 )(resid 33 and name HN ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 43 and name HN ) 3.0 1.2 0.3 assign (resid 32 and name HN )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 43 and name HB2 ) 4.0 2.2 1.0 assign (resid 32 and name HN )(resid 44 and name HN ) 4.0 2.2 1.0 !!G33 assign (resid 33 and name HN )(resid 33 and name HA1 ) 4.0 2.2 1.0 assign (resid 33 and name HN )(resid 33 and name HA2 ) 4.0 2.2 1.0 assign (resid 33 and name HA1 )(resid 34 and name HN ) 3.0 1.2 0.3 assign (resid 33 and name HA2 )(resid 34 and name HN ) 3.0 1.2 0.3 assign (resid 33 and name HA1 )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 33 and name HA2 )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 33 and name HA# )(resid 43 and name HN ) 4.0 3.2 2.0 !!H34 assign (resid 34 and name HN )(resid 34 and name HA ) 4.0 2.2 1.0 assign (resid 34 and name HN )(resid 34 and name HB2 ) 4.0 2.2 1.0 assign (resid 34 and name HN )(resid 34 and name HB1 ) 3.0 1.2 0.3 assign (resid 34 and name HA )(resid 34 and name HB1 ) 2.5 0.7 0.2 assign (resid 34 and name HA )(resid 34 and name HB2 ) 2.5 0.7 0.2 assign (resid 34 and name HN )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 34 and name HA )(resid 35 and name HN ) 2.5 0.7 0.2 assign (resid 34 and name HB1 )(resid 35 and name HN ) 4.0 2.2 1.0 assign (resid 34 and name HB2 )(resid 35 and name HN ) 4.0 2.2 1.0 !!assign (resid 34 and name HB1 )(resid 36 and name HE# ) 4.0 4.2 3.0 !!assign (resid 34 and name HB2 )(resid 36 and name HE# ) 4.0 4.2 3.0 assign (resid 34 and name HN )(resid 41 and name HN ) 3.0 1.2 0.3 assign (resid 34 and name HN )(resid 41 and name HB# ) 4.0 3.2 2.0 assign (resid 34 and name HE1 )(resid 41 and name HD1 ) 3.0 1.2 0.3 assign (resid 34 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0 !!C35 g2t3 UF=B1 assign (resid 35 and name HN )(resid 35 and name HA ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 35 and name HB1 ) 3.0 1.2 0.3 assign (resid 35 and name HN )(resid 35 and name HB2 ) 3.0 1.2 0.3 assign (resid 35 and name HA )(resid 35 and name HB1 ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 35 and name HB2 ) 4.0 2.2 1.0 assign (resid 35 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 36 and name HN ) 2.5 0.7 0.2 assign (resid 35 and name HN )(resid 36 and name HD# ) 4.0 4.2 3.0 assign (resid 35 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 40 and name HA ) 3.0 1.2 0.3 assign (resid 35 and name HA )(resid 40 and name HB2 ) 4.0 2.2 1.0 assign (resid 35 and name HA )(resid 41 and name HN ) 4.0 2.2 1.0 !!Y36 g2t3 UF=B1 !! 06jan99 set to t2g3 assign (resid 36 and name HN )(resid 36 and name HA ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 36 and name HB1 ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 36 and name HB2 ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 36 and name HB2 ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 36 and name HB1 ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 36 and name HD# ) 4.0 4.2 3.0 assign (resid 36 and name HA )(resid 36 and name HD# ) 2.5 2.7 2.2 assign (resid 36 and name HB1 )(resid 36 and name HD# ) 2.5 2.7 2.2 assign (resid 36 and name HB2 )(resid 36 and name HD# ) 2.5 2.7 2.2 assign (resid 36 and name HA )(resid 37 and name HN ) 2.3 0.5 0.2 assign (resid 36 and name HB1 )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HB2 )(resid 37 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HD# )(resid 37 and name HB# ) 4.0 5.3 4.1 assign (resid 36 and name HE# )(resid 37 and name HB# ) 4.0 5.3 4.1 assign (resid 36 and name HD# )(resid 37 and name HN ) 3.0 3.2 2.3 assign (resid 36 and name HN )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 39 and name HN ) 3.0 1.2 0.3 assign (resid 36 and name HN )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 36 and name HN )(resid 41 and name HB# ) 4.0 3.2 2.0 assign (resid 36 and name HB# )(resid 41 and name HB# ) 4.0 4.2 3.0 assign (resid 36 and name HD# )(resid 41 and name HB# ) 4.0 5.2 4.0 assign (resid 36 and name HD# )(resid 41 and name HD# ) 4.0 6.2 5.0 assign (resid 36 and name HE# )(resid 41 and name HD# ) 4.0 6.2 5.0 !!A37 assign (resid 37 and name HN )(resid 37 and name HA ) 2.3 0.5 0.2 assign (resid 37 and name HN )(resid 37 and name HB# ) 3.0 2.1 1.4 assign (resid 37 and name HN )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HA )(resid 38 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HB# )(resid 38 and name HN ) 4.0 3.3 2.1 assign (resid 37 and name HN )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 37 and name HB# )(resid 39 and name HN ) 4.0 3.3 2.1 !!M38 assign (resid 38 and name HN )(resid 38 and name HA ) 3.0 1.2 0.3 assign (resid 38 and name HN )(resid 38 and name HB1) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 38 and name HB2) 4.0 2.2 1.0 assign (resid 38 and name HA )(resid 38 and name HB1) 4.0 2.2 1.0 assign (resid 38 and name HA )(resid 38 and name HB2) 4.0 2.2 1.0 assign (resid 38 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 assign (resid 38 and name HN )(resid 39 and name HN ) 3.0 1.2 0.3 assign (resid 38 and name HB# )(resid 39 and name HN ) 4.0 3.2 2.0 !!S39 t2g3 DF=B1 assign (resid 39 and name HN )(resid 39 and name HA ) 4.0 2.2 1.0 assign (resid 39 and name HN )(resid 39 and name HB1 ) 4.0 2.2 1.0 assign (resid 39 and name HN )(resid 39 and name HB2 ) 3.0 1.2 0.3 assign (resid 39 and name HA )(resid 39 and name HB2 ) 4.0 2.2 1.0 assign (resid 39 and name HA )(resid 39 and name HB1 ) 3.0 1.2 0.3 assign (resid 39 and name HA )(resid 40 and name HN ) 2.3 0.5 0.2 assign (resid 39 and name HB1 )(resid 40 and name HN ) 3.0 1.2 0.3 assign (resid 39 and name HB2 )(resid 40 and name HN ) 4.0 2.2 1.0 !!C40 g2t3 DF=B1 assign (resid 40 and name HN )(resid 40 and name HA ) 4.0 2.2 1.0 assign (resid 40 and name HN )(resid 40 and name HB1 ) 3.0 1.2 0.3 assign (resid 40 and name HN )(resid 40 and name HB2 ) 3.0 1.2 0.3 assign (resid 40 and name HA )(resid 40 and name HB1 ) 4.0 2.2 1.0 assign (resid 40 and name HA )(resid 40 and name HB2 ) 3.0 1.2 0.3 assign (resid 40 and name HA )(resid 41 and name HN ) 2.3 0.5 0.2 assign (resid 40 and name HN )(resid 41 and name HN ) 4.0 2.2 1.0 assign (resid 40 and name HB2 )(resid 41 and name HN ) 4.0 2.2 1.0 !!Y41 g2t3 UF=B1 by alpha/N assign (resid 41 and name HN )(resid 41 and name HA ) 4.0 2.2 1.0 assign (resid 41 and name HN )(resid 41 and name HB1 ) 3.0 1.2 0.3 assign (resid 41 and name HN )(resid 41 and name HB2 ) 3.0 1.2 0.3 assign (resid 41 and name HA )(resid 41 and name HB1 ) 4.0 2.2 1.0 assign (resid 41 and name HA )(resid 41 and name HB2 ) 3.0 1.2 0.3 assign (resid 41 and name HN )(resid 41 and name HD# ) 4.0 4.2 3.0 assign (resid 41 and name HB1 )(resid 41 and name HD# ) 3.0 3.2 2.3 assign (resid 41 and name HB2 )(resid 41 and name HD# ) 3.0 3.2 2.3 assign (resid 41 and name HA )(resid 41 and name HD# ) 3.0 3.2 2.3 assign (resid 41 and name HA )(resid 42 and name HN ) 2.3 0.5 0.2 assign (resid 41 and name HB# )(resid 42 and name HN ) 4.0 3.2 2.0 assign (resid 41 and name HD# )(resid 42 and name HN ) 3.0 3.2 2.3 assign (resid 41 and name HE# )(resid 42 and name HN ) 4.0 4.2 3.0 !!C42 t2g3 DF=B1 assign (resid 42 and name HN )(resid 42 and name HA ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 42 and name HB1 ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 42 and name HB2 ) 3.0 1.2 0.3 assign (resid 42 and name HA )(resid 42 and name HB2 ) 4.0 2.2 1.0 assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 42 and name HA )(resid 43 and name HN ) 2.3 0.5 0.2 assign (resid 42 and name HB1 )(resid 43 and name HN ) 3.0 1.2 0.3 assign (resid 42 and name HB2 )(resid 43 and name HN ) 4.0 2.2 1.0 assign (resid 42 and name HB1 )(resid 45 and name HD1#) 4.0 3.3 2.1 assign (resid 42 and name HB1 )(resid 45 and name HD2#) 4.0 3.3 2.1 assign (resid 42 and name HB2 )(resid 45 and name HD1#) 4.0 3.3 2.1 assign (resid 42 and name HB2 )(resid 45 and name HD2#) 4.0 3.3 2.1 !!E43 assign (resid 43 and name HN )(resid 43 and name HA ) 4.0 2.2 1.0 assign (resid 43 and name HN )(resid 43 and name HB1 ) 3.0 1.2 0.3 assign (resid 43 and name HN )(resid 43 and name HB2 ) 3.0 1.2 0.3 assign (resid 43 and name HN )(resid 43 and name HG# ) 4.0 3.2 2.0 assign (resid 43 and name HA )(resid 43 and name HB1 ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 43 and name HB2 ) 3.0 1.2 0.3 assign (resid 43 and name HN )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 44 and name HN ) 2.3 0.5 0.2 assign (resid 43 and name HB1 )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HB2 )(resid 44 and name HN ) 4.0 2.2 1.0 assign (resid 43 and name HA )(resid 45 and name HN ) 4.0 2.2 1.0 !!G44 assign (resid 44 and name HN )(resid 44 and name HA1) 3.0 1.2 0.3 assign (resid 44 and name HN )(resid 44 and name HA2) 3.0 1.2 0.3 assign (resid 44 and name HA1 )(resid 45 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HA2 )(resid 45 and name HN ) 4.0 2.2 1.0 assign (resid 44 and name HN )(resid 45 and name HN ) 3.0 1.2 0.3 !!L45 assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HB1 ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 45 and name HB2 ) 2.3 0.5 0.2 assign (resid 45 and name HN )(resid 45 and name HG ) 3.0 1.2 0.3 assign (resid 45 and name HN )(resid 45 and name HD1#) 3.0 2.1 1.2 assign (resid 45 and name HN )(resid 45 and name HD2#) 4.0 3.3 2.1 assign (resid 45 and name HA )(resid 45 and name HB1 ) 3.0 1.2 0.3 assign (resid 45 and name HA )(resid 45 and name HB2 ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HG ) 4.0 2.2 1.0 assign (resid 45 and name HA )(resid 45 and name HD1#) 4.0 3.3 2.1 assign (resid 45 and name HA )(resid 45 and name HD2#) 2.3 1.4 0.9 assign (resid 45 and name HA )(resid 46 and name HD1 ) 3.0 1.2 0.3 assign (resid 45 and name HA )(resid 46 and name HD2 ) 3.0 1.2 0.3 assign (resid 45 and name HG )(resid 46 and name HD1 ) 4.0 3.2 2.0 assign (resid 45 and name HG )(resid 46 and name HD2 ) 4.0 3.2 2.0 assign (resid 45 and name HD2#)(resid 46 and name HD1 ) 3.0 2.1 1.2 assign (resid 45 and name HD2#)(resid 46 and name HD2 ) 3.0 2.1 1.2 assign (resid 45 and name HN )(resid 46 and name HD1 ) 4.0 2.2 1.0 assign (resid 45 and name HN )(resid 46 and name HD2 ) 4.0 2.2 1.0 !!P46 assign (resid 46 and name HA )(resid 46 and name HB1 ) 3.0 1.2 0.3 assign (resid 46 and name HA )(resid 46 and name HB2 ) 3.0 1.2 0.3 assign (resid 46 and name HA )(resid 46 and name HG# ) 4.0 3.2 2.0 assign (resid 46 and name HB1 )(resid 46 and name HD1 ) 4.0 2.2 1.0 assign (resid 46 and name HB1 )(resid 46 and name HD2 ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 46 and name HD1 ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 46 and name HD2 ) 4.0 2.2 1.0 assign (resid 46 and name HG# )(resid 46 and name HD1 ) 3.0 2.2 1.3 assign (resid 46 and name HG# )(resid 46 and name HD2 ) 3.0 2.2 1.3 assign (resid 46 and name HA )(resid 47 and name HN ) 2.5 0.7 0.2 assign (resid 46 and name HB1 )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 47 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HG# )(resid 47 and name HN ) 4.0 3.2 2.0 assign (resid 46 and name HA )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HB1 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HG# )(resid 48 and name HN ) 4.0 3.2 2.0 assign (resid 46 and name HB1 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HB2 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 46 and name HG# )(resid 49 and name HN ) 4.0 3.2 2.0 !!E47 assign (resid 47 and name HN )(resid 47 and name HA ) 3.0 1.2 0.3 assign (resid 47 and name HN )(resid 47 and name HB1 ) 3.0 1.2 0.3 assign (resid 47 and name HN )(resid 47 and name HB2 ) 3.0 1.2 0.3 assign (resid 47 and name HN )(resid 47 and name HG# ) 3.0 2.2 1.3 assign (resid 47 and name HA )(resid 47 and name HB1 ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 47 and name HB2 ) 3.0 1.2 0.3 assign (resid 47 and name HB1 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HB2 )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HG# )(resid 48 and name HN ) 4.0 3.2 2.0 assign (resid 47 and name HN )(resid 48 and name HN ) 3.0 1.2 0.3 assign (resid 47 and name HA )(resid 48 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HN )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 47 and name HA )(resid 49 and name HN ) 4.0 2.2 1.0 !!N48 assign (resid 48 and name HN )(resid 48 and name HA ) 3.0 1.2 0.3 assign (resid 48 and name HN )(resid 48 and name HB1 ) 3.0 1.2 0.3 assign (resid 48 and name HN )(resid 48 and name HB2 ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 48 and name HB1 ) 2.5 0.7 0.2 assign (resid 48 and name HA )(resid 48 and name HB2 ) 2.5 0.7 0.2 assign (resid 48 and name HB1 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HB2 )(resid 49 and name HN ) 4.0 2.2 1.0 assign (resid 48 and name HA )(resid 49 and name HN ) 3.0 1.2 0.3 assign (resid 48 and name HN )(resid 49 and name HN ) 2.5 0.7 0.2 assign (resid 48 and name HN )(resid 49 and name HB# ) 4.0 3.3 2.1 !!A49 assign (resid 49 and name HN )(resid 49 and name HA ) 3.0 1.2 0.3 assign (resid 49 and name HN )(resid 49 and name HB# ) 2.5 1.4 0.9 assign (resid 49 and name HA )(resid 50 and name HN ) 2.5 0.7 0.2 assign (resid 49 and name HB# )(resid 50 and name HN ) 2.5 1.4 0.9 assign (resid 49 and name HN )(resid 50 and name HN ) 4.0 2.2 1.0 assign (resid 49 and name HB# )(resid 51 and name HN ) 4.0 3.3 2.1 assign (resid 49 and name HN )(resid 51 and name HG1#) 4.0 3.3 2.1 assign (resid 49 and name HN )(resid 51 and name HG2#) 4.0 3.3 2.1 !!K50 assign (resid 50 and name HN )(resid 50 and name HA ) 3.0 1.2 0.3 assign (resid 50 and name HN )(resid 50 and name HB1 ) 3.0 2.2 1.3 assign (resid 50 and name HN )(resid 50 and name HB2 ) 3.0 2.2 1.3 assign (resid 50 and name HA )(resid 50 and name HB1 ) 3.0 1.2 0.3 assign (resid 50 and name HA )(resid 50 and name HB2 ) 3.0 1.2 0.3 assign (resid 50 and name HA )(resid 50 and name HG1 ) 4.0 2.2 1.0 assign (resid 50 and name HA )(resid 50 and name HG2 ) 4.0 2.2 1.0 assign (resid 50 and name HA )(resid 51 and name HN ) 2.3 0.5 0.2 assign (resid 50 and name HB# )(resid 51 and name HN ) 4.0 3.2 2.0 !!V51 g- w/ HG1 uf assign (resid 51 and name HN )(resid 51 and name HA ) 3.0 1.2 0.3 assign (resid 51 and name HN )(resid 51 and name HB ) 4.0 2.2 1.0 assign (resid 51 and name HG2#)(resid 51 and name HN ) 2.5 1.4 0.9 assign (resid 51 and name HG1#)(resid 51 and name HN ) 4.0 3.3 2.1 assign (resid 51 and name HA )(resid 51 and name HB ) 2.5 0.7 0.2 assign (resid 51 and name HG2#)(resid 51 and name HA ) 4.0 3.3 2.1 assign (resid 51 and name HG1#)(resid 51 and name HA ) 2.5 1.4 0.9 assign (resid 51 and name HG2#)(resid 52 and name HN ) 4.0 3.3 2.1 assign (resid 51 and name HG1#)(resid 52 and name HN ) 4.0 3.3 2.1 assign (resid 51 and name HA )(resid 52 and name HN ) 2.3 0.5 0.2 assign (resid 51 and name HB )(resid 52 and name HN ) 2.3 0.5 0.2 !!S52 assign (resid 52 and name HA )(resid 52 and name HN ) 3.0 1.2 0.3 assign (resid 52 and name HB1 )(resid 52 and name HN ) 3.0 1.2 0.3 assign (resid 52 and name HB2 )(resid 52 and name HN ) 3.0 1.2 0.3 assign (resid 52 and name HB1 )(resid 52 and name HA ) 4.0 2.2 1.0 assign (resid 52 and name HB2 )(resid 52 and name HA ) 3.0 1.2 0.3 assign (resid 52 and name HA )(resid 53 and name HN ) 2.3 0.5 0.2 assign (resid 52 and name HB1 )(resid 53 and name HN ) 4.0 2.2 1.0 assign (resid 52 and name HB2 )(resid 53 and name HN ) 4.0 2.2 1.0 !!D53 g2g3 UF=B1 assign (resid 53 and name HN )(resid 53 and name HA ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 53 and name HB1 ) 4.0 2.2 1.0 assign (resid 53 and name HN )(resid 53 and name HB2 ) 4.0 2.2 1.0 assign (resid 53 and name HA )(resid 53 and name HB1 ) 4.0 2.2 1.0 assign (resid 53 and name HA )(resid 53 and name HB2 ) 4.0 2.2 1.0 assign (resid 53 and name HB1 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HB2 )(resid 54 and name HN ) 4.0 2.2 1.0 assign (resid 53 and name HA )(resid 54 and name HN ) 3.0 1.2 0.3 assign (resid 53 and name HN )(resid 54 and name HN ) 3.0 1.2 0.3 !!S54 g2g3 UF=B1 assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.3 assign (resid 54 and name HN )(resid 54 and name HB1 ) 3.0 1.2 0.3 assign (resid 54 and name HN )(resid 54 and name HB2 ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 54 and name HB1 ) 3.0 1.2 0.3 assign (resid 54 and name HA )(resid 54 and name HB2 ) 3.0 1.2 0.3 assign (resid 54 and name HB1 )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HB2 )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 55 and name HN ) 3.0 1.2 0.3 assign (resid 54 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 assign (resid 54 and name HA )(resid 56 and name HN ) 4.0 2.2 1.0 !!A55 assign (resid 55 and name HN )(resid 55 and name HA ) 4.0 2.2 1.0 assign (resid 55 and name HN )(resid 55 and name HB# ) 3.0 2.1 1.4 assign (resid 55 and name HB# )(resid 56 and name HN ) 4.0 3.3 2.1 assign (resid 55 and name HN )(resid 56 and name HN ) 2.5 0.7 0.2 assign (resid 55 and name HA )(resid 56 and name HN ) 4.0 2.2 1.0 !!Thr56 assign (resid 56 and name HN )(resid 56 and name HA ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 56 and name HB ) 4.0 2.2 1.0 assign (resid 56 and name HN )(resid 56 and name HG2#) 4.0 3.3 2.1 assign (resid 56 and name HG2#)(resid 57 and name HN ) 4.0 3.3 2.1 assign (resid 56 and name HN )(resid 57 and name HN ) 4.0 2.2 1.0 assign (resid 56 and name HA )(resid 57 and name HN ) 2.5 0.7 0.2 assign (resid 56 and name HB )(resid 57 and name HN ) 4.0 2.2 1.0 !!assign (resid 56 and name HG2#)(resid 58 and name HN ) 4.0 3.3 2.1 !!N57 assign (resid 57 and name HN )(resid 57 and name HA ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 57 and name HB1 ) 4.0 2.2 1.0 assign (resid 57 and name HN )(resid 57 and name HB2 ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 57 and name HB1 ) 2.5 0.7 0.2 assign (resid 57 and name HA )(resid 57 and name HB2 ) 2.5 0.7 0.2 assign (resid 57 and name HN )(resid 58 and name HN ) 4.0 2.2 1.0 assign (resid 57 and name HA )(resid 58 and name HN ) 2.5 0.7 0.2 !!assign (resid 57 and name HB1 )(resid 58 and name HN ) 4.0 2.2 1.0 !!assign (resid 57 and name HB2 )(resid 58 and name HN ) 4.0 2.2 1.0 !!I58 assign (resid 58 and name HN )(resid 58 and name HA ) 3.0 1.2 0.3 assign (resid 58 and name HN )(resid 58 and name HB ) 3.0 1.2 0.3 assign (resid 58 and name HN )(resid 58 and name HG2#) 3.0 2.1 1.4 assign (resid 58 and name HA )(resid 58 and name HB ) 3.0 1.2 0.3 assign (resid 58 and name HA )(resid 58 and name HG2#) 3.0 2.1 1.4 assign (resid 58 and name HA )(resid 58 and name HD1#) 4.0 3.3 2.1 assign (resid 58 and name HA )(resid 59 and name HN ) 2.5 0.7 0.2 assign (resid 58 and name HB )(resid 59 and name HN ) 4.0 2.2 1.0 assign (resid 58 and name HG2#)(resid 59 and name HN ) 4.0 3.3 2.1 !!C59 assign (resid 59 and name HN )(resid 59 and name HA ) 3.0 1.2 0.3 assign (resid 59 and name HN )(resid 59 and name HB#) 4.0 3.2 2.0 assign (resid 59 and name HA )(resid 60 and name HN ) 3.0 1.2 0.3 assign (resid 59 and name HB# )(resid 60 and name HN ) 3.0 2.2 1.3
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