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 |
|
|
562874 |
2m7x   |
19216 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
set echo=false end set wrnlev=0 end ! CaH(i)-NH(j) long range !assign (resid 2 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 !assign (resid 4 and name HA )(resid 18 and name HN ) 4.0 2.2 1.0 !assign (resid 5 and name HA )(resid 52 and name HN ) 3.0 1.2 0.5 !assign (resid 6 and name HA )(resid 16 and name HN ) 4.0 2.2 1.0 !assign (resid 8 and name HA )(resid 14 and name HN ) 4.0 2.2 1.0 !assign (resid 13 and name HA )(resid 7 and name HN ) 4.0 2.2 1.0 !assign (resid 13 and name HA )(resid 9 and name HN ) 3.0 1.2 0.5 !assign (resid 15 and name HA )(resid 7 and name HN ) 2.5 0.7 0.4 !assign (resid 17 and name HA )(resid 5 and name HN ) 3.0 1.2 0.5 !assign (resid 43 and name HA )(resid 55 and name HN ) 4.0 2.2 1.0 !assign (resid 52 and name HA )(resid 46 and name HN ) 3.0 1.2 0.5 !assign (resid 53 and name HA )(resid 6 and name HN ) 2.5 0.7 0.4 !assign (resid 54 and name HA )(resid 44 and name HN ) 3.0 1.2 0.5 !assign (resid 56 and name HA )(resid 42 and name HN ) 4.0 2.2 1.0 !Long range NH(i)-NH(j) !assign (resid 3 and name HN )(resid 18 and name HN ) 3.0 1.2 0.5 !assign (resid 6 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 !assign (resid 7 and name HN )(resid 14 and name HN ) 3.0 1.2 0.5 !assign (resid 8 and name HN )(resid 54 and name HN ) 4.0 2.2 1.0 !assign (resid 16 and name HN )(resid 5 and name HN ) 3.0 1.2 0.5 !assign (resid 42 and name HN )(resid 55 and name HN ) 4.0 2.2 1.0 !assign (resid 44 and name HN )(resid 53 and name HN ) 3.0 1.2 0.5 !assign (resid 52 and name HN )(resid 4 and name HN ) 3.0 1.2 0.5 !assign (resid 52 and name HN )(resid 6 and name HN ) 4.0 2.2 1.0 !long range CaH(i)-CaH(j) !assign (resid 4 and name HA )(resid 17 and name HA ) 2.5 0.7 0.2 !assign (resid 15 and name HA )(resid 6 and name HA ) 2.5 0.7 0.2 !assign (resid 19 and name HA )(resid 2 and name HA ) 2.5 0.7 0.2 !assign (resid 43 and name HA )(resid 54 and name HA ) 2.5 0.7 0.2 !assign (resid 51 and name HA )(resid 5 and name HA ) 4.0 2.2 2.0 !assign (resid 52 and name HA )(resid 45 and name HA ) 2.5 0.7 0.2 !assign (resid 53 and name HA )(resid 5 and name HA ) 4.0 2.2 2.0 !assign (resid 53 and name HA )(resid 7 and name HA ) 4.0 2.2 1.0 !assign (resid 56 and name HA )(resid 41 and name HA# ) 2.5 1.7 0.2 !# !long range CaH(i)-CbH(j) !assign (resid 2 and name HA )(resid 19 and name HB# ) 4.0 2.2 1.0 !# !assign (resid 3 and name HA )(resid 50 and name HB# ) 4.0 2.2 1.0 !assign (resid 4 and name HA )(resid 17 and name HB ) 4.0 2.2 1.0 !assign (resid 5 and name HA )(resid 52 and name HB# ) 3.0 1.2 0.3 !assign (resid 17 and name HA )(resid 2 and name HB ) 4.0 2.2 3.0 !assign (resid 17 and name HA )(resid 4 and name HB# ) 4.0 2.2 2.0 !assign (resid 26 and name HA )(resid 20 and name HB# ) 3.0 1.2 0.3 !# !assign (resid 40 and name HA )(resid 34 and name HB# ) 4.0 2.2 1.0 !# !assign (resid 55 and name HA )(resid 8 and name HB# ) 2.5 0.7 0.2 !assign (resid 54 and name HA )(resid 43 and name HB# ) 4.0 2.2 1.0 !assign (resid 43 and name HA )(resid 54 and name HB ) 4.0 2.2 1.0 !assign (resid 52 and name HA )(resid 3 and name HB# ) 4.0 2.2 2.0 !Cbh(i)-CbH(j) !!assign (resid 3 and name HB# )(resid 46 and name HB# ) 4.0 2.2 3.0 !assign (resid 26 and name HB# )(resid 3 and name HB# ) 3.0 1.2 0.3 !assign (resid 26 and name HB# )(resid 20 and name HB# ) 2.5 0.7 0.2 ! !# !assign (resid 34 and name HB# )(resid 54 and name HB ) 4.0 2.2 1.0 ! !assign (resid 54 and name HB )(resid 8 and name HN ) 4.0 2.2 2.0 !assign (resid 55 and name HB )(resid 42 and name HB# ) 3.0 1.2 0.3 !long range Thr CbH(i)-NH(j) !assign (resid 17 and name HB )(resid 3 and name HN ) 4.0 2.2 1.0 !assign (resid 51 and name HB )(resid 46 and name HN ) 4.0 2.2 1.0 !assign (resid 53 and name HB )(resid 44 and name HN ) 4.0 2.2 1.0 !assign (resid 55 and name HB )(resid 42 and name HN ) 4.0 2.2 1.0 !long range CbH(i)-NH(j) !assign (resid 3 and name HB# )(resid 18 and name HN ) 4.0 2.2 2.0 !assign (resid 5 and name HB# )(resid 16 and name HN ) 3.0 1.2 0.5 !assign (resid 5 and name HB# )(resid 15 and name HN ) 4.0 2.2 3.0 !assign (resid 15 and name HB# )(resid 7 and name HN ) 4.0 3.2 2.0 ! !!assign (resid 39 and name HB )(resid 56 and name HN ) 4.0 2.2 3.0 !assign (resid 54 and name HB )(resid 8 and name HN ) 4.0 2.2 2.0 !assign (resid 56 and name HB# )(resid 10 and name HN ) 2.5 0.7 0.4 !other long range !assign (resid 5 and name HD2# )(resid 16 and name HG2# ) 3.0 1.2 1.3 ! !# !assign (resid 5 and name HD2# )(resid 30 and name HA ) 3.0 1.2 0.8 ! !assign (resid 5 and name HD1# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 30 and name HB# ) 3.0 2.2 0.8 ! !assign (resid 5 and name HD1# )(resid 30 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 33 and name HB# ) 4.0 2.2 1.5 ! !# !assign (resid 5 and name HD2# )(resid 34 and name HA ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 34 and name HN ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# !assign (resid 5 and name HD1# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# !assign (resid 5 and name HD1# )(resid 52 and name HN ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD1# )(resid 54 and name HN ) 2.5 0.7 0.7 ! !assign (resid 5 and name HD1# )(resid 15 and name HA ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD1# )(resid 53 and name HA ) 3.0 1.2 0.8 ! !assign (resid 5 and name HD1# )(resid 54 and name HG1# ) 4.0 2.2 2.0 ! !# !assign (resid 5 and name HD1# )(resid 54 and name HG2# ) 4.0 2.2 2.0 ! !# !assign (resid 5 and name HD1# )(resid 54 and name HB ) 4.0 2.2 1.5 ! !assign (resid 5 and name HG )(resid 15 and name HA ) 4.0 2.2 1.0 !assign (resid 6 and name HG2# )(resid 14 and name HN ) 4.0 2.2 1.5 ! !assign (resid 6 and name HD1# )(resid 15 and name HB# ) 4.0 2.2 1.5 !assign (resid 7 and name HD1# )(resid 15 and name HA ) 3.0 1.2 0.8 ! !assign (resid 7 and name HD1# )(resid 16 and name HG2# ) 3.0 1.2 1.3 ! !# !assign (resid 7 and name HD# )(resid 34 and name HN ) 4.0 2.2 1.5 ! !assign (resid 7 and name HD1# )(resid 34 and name HA ) 4.0 2.2 1.5 ! !assign (resid 7 and name HD2# )(resid 34 and name HA ) 4.0 2.2 1.5 ! !assign (resid 7 and name HD* )(resid 15 and name HG# ) 4.0 2.2 2.0 ! !# !assign (resid 7 and name HD2# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# !assign (resid 7 and name HD2# )(resid 54 and name HB ) 4.0 2.2 1.5 ! !assign (resid 7 and name HD2# )(resid 39 and name HB ) 4.0 2.2 1.5 ! !assign (resid 12 and name HD2# )(resid 37 and name HB# ) 2.5 0.7 0.7 ! !assign (resid 12 and name HD1# )(resid 37 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 56 and name HG# )(resid 10 and name HN ) 4.0 2.2 1.0 ! !long range Val CbH(i)-NH(j) !assign (resid 39 and name HG1# )(resid 9 and name HN ) 4.0 1.2 1.5 !assign (resid 39 and name HG2# )(resid 9 and name HN ) 4.0 2.2 2.5 ! !assign (resid 39 and name HG1# )(resid 8 and name HN ) 4.0 2.2 2.5 ! !assign (resid 39 and name HG1# )(resid 10 and name HN ) 4.0 2.2 2.5 ! !assign (resid 39 and name HG2# )(resid 10 and name HN ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG2# )(resid 12 and name HN ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 12 and name HN ) 4.0 2.2 2.5 ! !assign (resid 39 and name HG1# )(resid 54 and name HA ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 56 and name HA ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 56 and name HN ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 56 and name HG# ) 3.0 1.2 1.0 ! !# !assign (resid 39 and name HG1# )(resid 56 and name HB# ) 4.0 2.2 2.5 ! !# !long range Val hg !assign (resid 39 and name HG1# )(resid 54 and name HG1# ) 2.5 0.7 1.2 ! !# !assign (resid 39 and name HG1# )(resid 54 and name HG2# ) 2.5 0.7 1.2 ! !# !assign (resid 39 and name HG1# )(resid 54 and name HB ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 34 and name HB# ) 4.0 2.2 1.5 ! !# !assign (resid 39 and name HG2# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# !assign (resid 39 and name HG1# )(resid 7 and name HA ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG1# )(resid 5 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG1# )(resid 7 and name HD2# ) 2.5 2.2 1.2 ! !# !assign (resid 54 and name HG2# )(resid 7 and name HD2# ) 4.0 2.2 3.0 ! !# !assign (resid 54 and name HG1# )(resid 7 and name HG ) 3.0 1.2 0.8 ! !assign (resid 54 and name HG2# )(resid 7 and name HB# ) 4.0 2.2 2.5 ! !assign (resid 54 and name HG1# )(resid 8 and name HN ) 2.5 0.7 0.7 ! !assign (resid 54 and name HG1# )(resid 34 and name HB# ) 3.0 1.2 0.8 ! !# !assign (resid 54 and name HG2# )(resid 34 and name HB# ) 4.0 2.2 2.5 ! !# !assign (resid 54 and name HG1# )(resid 39 and name HB ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG2# )(resid 40 and name HA ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG2# )(resid 41 and name HN ) 3.0 1.2 0.8 ! !assign (resid 54 and name HG1# )(resid 41 and name HN ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG2# )(resid 41 and name HA# ) 4.0 2.2 1.5 ! !# !assign (resid 54 and name HG2# )(resid 42 and name HN ) 4.0 2.2 1.5 ! !assign (resid 54 and name HG2# )(resid 43 and name HA ) 3.0 1.2 0.9 ! !long range Thr hg2# !assign (resid 2 and name HG2# )(resid 18 and name HN ) 2.5 1.2 0.9 ! !assign (resid 2 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! !assign (resid 2 and name HG2# )(resid 19 and name HG# ) 4.0 2.2 1.5 ! !# !assign (resid 16 and name HG2# )(resid 5 and name HN ) 3.0 1.2 0.9 ! !assign (resid 16 and name HG2# )(resid 5 and name HB# ) 3.0 1.2 0.8 ! !assign (resid 16 and name HG2# )(resid 33 and name HB# ) 4.0 2.2 2.5 ! !# !assign (resid 17 and name HG2# )(resid 4 and name HA ) 3.0 1.2 0.8 ! !assign (resid 17 and name HG2# )(resid 4 and name HN ) 4.0 2.2 2.5 ! !assign (resid 18 and name HG2# )(resid 3 and name HN ) 3.0 1.2 0.9 ! !assign (resid 18 and name HG2# )(resid 3 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 18 and name HG2# )(resid 26 and name HA ) 3.0 1.2 0.8 ! !assign (resid 18 and name HG2# )(resid 29 and name HG1# ) 3.0 1.2 1.3 ! !# !assign (resid 18 and name HG2# )(resid 29 and name HG2# ) 4.0 2.2 2.0 ! !# !assign (resid 18 and name HG2# )(resid 29 and name HB ) 3.0 1.2 0.8 ! !assign (resid 25 and name HB )(resid 28 and name HD# ) 4.0 2.2 2.0 !# !assign (resid 25 and name HB )(resid 28 and name HE# ) 4.0 2.2 2.0 !# !assign (resid 51 and name HG2# )(resid 4 and name HB# ) 3.0 1.2 0.8 ! !assign (resid 51 and name HG2# )(resid 5 and name HA ) 4.0 2.2 1.5 ! !assign (resid 51 and name HG2# )(resid 6 and name HG1# ) 4.0 2.2 2.0 ! !# !assign (resid 53 and name HG2# )(resid 6 and name HB ) 3.0 1.2 0.8 ! !assign (resid 53 and name HG2# )(resid 7 and name HN ) 4.0 2.2 1.5 ! !assign (resid 53 and name HG2# )(resid 8 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 55 and name HG2# )(resid 8 and name HN ) 4.0 2.2 1.5 !Long range aromatics !Tyr-3 !assign (resid 3 and name HD# )(resid 20 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 3 and name HE# )(resid 20 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 3 and name HE# )(resid 23 and name HB# ) 4.0 2.2 2.5 !# !assign (resid 3 and name HD# )(resid 26 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 3 and name HD# )(resid 45 and name HE# ) 3.0 1.2 0.3 !assign (resid 3 and name HD# )(resid 50 and name HA ) 3.0 1.2 0.3 !assign (resid 3 and name HD# )(resid 50 and name HB# ) 2.5 0.7 0.2 !Phe-30 !assign (resid 30 and name HZ )(resid 3 and name HB# ) 4.0 2.2 1.0 !assign (resid 30 and name HE# )(resid 3 and name HB# ) 4.0 2.2 1.0 !assign (resid 30 and name HZ )(resid 4 and name HA ) 4.0 2.2 1.0 !assign (resid 30 and name HE# )(resid 4 and name HA ) 4.0 2.2 1.0 !assign (resid 30 and name HD# )(resid 5 and name HB# ) 3.0 1.2 0.3 !assign (resid 30 and name HE# )(resid 5 and name HB# ) 3.0 1.2 0.3 !assign (resid 30 and name HZ )(resid 5 and name HB# ) 4.0 2.2 1.0 !assign (resid 30 and name HZ )(resid 5 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HE# )(resid 5 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HE# )(resid 16 and name HG2# ) 3.0 1.2 0.8 !# !assign (resid 30 and name HZ )(resid 16 and name HG2# ) 4.0 2.2 2.5 !# !assign (resid 30 and name HE# )(resid 16 and name HB ) 4.0 2.2 2.0 !assign (resid 30 and name HZ )(resid 17 and name HA ) 3.0 1.2 0.3 !assign (resid 30 and name HE# )(resid 17 and name HA ) 4.0 2.2 1.0 !assign (resid 30 and name HZ )(resid 17 and name HB ) 4.0 2.2 2.0 !assign (resid 30 and name HE# )(resid 18 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HZ )(resid 18 and name HB ) 4.0 2.2 1.0 !assign (resid 30 and name HE# )(resid 18 and name HB ) 3.0 1.2 0.3 !assign (resid 30 and name HZ )(resid 18 and name HG2# ) 3.0 1.2 0.8 !# !Tyr-33 !assign (resid 33 and name HD# )(resid 16 and name HG2# ) 4.0 2.2 1.5 !# !assign (resid 33 and name HD# )(resid 5 and name HD2# ) 3.0 1.2 0.8 !# !assign (resid 33 and name HD# )(resid 7 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 33 and name HE# )(resid 7 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 33 and name HD# )(resid 7 and name HD2# ) 3.0 1.2 0.8 !# !assign (resid 33 and name HE# )(resid 7 and name HD2# ) 3.0 1.2 0.8 !# !Trp-43 !assign (resid 43 and name HH2 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HZ3 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HH2 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HZ3 )(resid 5 and name HD1# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HZ3 )(resid 5 and name HB# ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HZ2 )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HH2 )(resid 30 and name HN ) 4.0 2.2 2.0 !assign (resid 43 and name HH2 )(resid 31 and name HN ) 4.0 2.2 1.0 !assign (resid 43 and name HH2 )(resid 31 and name HA ) 3.0 1.2 0.3 !assign (resid 43 and name HZ2 )(resid 31 and name HA ) 3.0 1.2 0.3 !assign (resid 43 and name HH2 )(resid 31 and name HA ) 3.0 1.2 0.3 !assign (resid 43 and name HE3 )(resid 31 and name HB# ) 4.0 2.2 2.0 !assign (resid 43 and name HH2 )(resid 31 and name HB# ) 4.0 2.2 2.0 !assign (resid 43 and name HZ2 )(resid 31 and name HB# ) 4.0 2.2 2.0 !assign (resid 43 and name HE1 )(resid 31 and name HA ) 4.0 2.2 2.0 !assign (resid 43 and name HE1 )(resid 31 and name HB# ) 4.0 2.2 2.0 !assign (resid 43 and name HE1 )(resid 31 and name HG# ) 4.0 2.2 2.0 !# !assign (resid 43 and name HH2 )(resid 34 and name HB# ) 2.5 0.7 0.2 !# !assign (resid 43 and name HZ2 )(resid 34 and name HB# ) 3.0 1.2 0.3 !# !assign (resid 43 and name HZ3 )(resid 34 and name HB# ) 4.0 2.2 1.0 !# !assign (resid 43 and name HE1 )(resid 40 and name HA ) 4.0 2.2 1.0 !assign (resid 43 and name HZ3 )(resid 52 and name HD# ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 52 and name HD# ) 3.0 1.2 0.3 !assign (resid 43 and name HE3 )(resid 52 and name HE# ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 52 and name HA ) 4.0 2.2 2.0 !assign (resid 43 and name HE3 )(resid 52 and name HB# ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 53 and name HN ) 4.0 2.2 1.0 !assign (resid 43 and name HZ2 )(resid 54 and name HB ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 54 and name HB ) 4.0 2.2 1.0 !assign (resid 43 and name HE3 )(resid 54 and name HA ) 4.0 2.2 1.0 !assign (resid 43 and name HE1 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HE1 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HZ2 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HZ2 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HE3 )(resid 54 and name HG2# ) 3.0 1.2 0.8 !# !assign (resid 43 and name HE3 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HH2 )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HH2 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HZ3 )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HZ3 )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HE3 )(resid 54 and name HG2# ) 3.0 2.2 0.8 !# !Phe-45 !assign (resid 45 and name HE# )(resid 23 and name HB# ) 4.0 2.2 1.5 !# !assign (resid 45 and name HE# )(resid 26 and name HN ) 4.0 2.2 3.0 !assign (resid 45 and name HE# )(resid 51 and name HN ) 4.0 2.2 1.0 !assign (resid 45 and name HE# )(resid 52 and name HD# ) 4.0 2.2 1.0 !assign (resid 45 and name HE# )(resid 52 and name HE# ) 3.0 1.2 0.3 !assign (resid 45 and name HE# )(resid 52 and name HZ ) 4.0 2.2 1.0 !assign (resid 45 and name HD# )(resid 52 and name HD# ) 4.0 2.2 1.0 !assign (resid 45 and name HD# )(resid 52 and name HE# ) 3.0 1.2 0.3 !assign (resid 45 and name HD# )(resid 52 and name HA ) 3.0 1.2 0.3 ! !Phe-52 !assign (resid 52 and name HD# )(resid 5 and name HB# ) 4.0 2.2 2.0 !assign (resid 52 and name HD# )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# !assign (resid 52 and name HE# )(resid 23 and name HB# ) 4.0 2.2 1.5 !# !assign (resid 52 and name HZ )(resid 23 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 52 and name HZ )(resid 23 and name HA ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 26 and name HB# ) 4.0 2.2 1.5 !# !assign (resid 52 and name HE# )(resid 26 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 52 and name HZ )(resid 26 and name HB# ) 4.0 3.7 2.5 !# !assign (resid 52 and name HE# )(resid 27 and name HN ) 4.0 2.2 1.0 !assign (resid 52 and name HZ )(resid 27 and name HN ) 3.0 1.2 0.5 !assign (resid 52 and name HE# )(resid 27 and name HG# ) 3.0 1.2 0.3 !# !assign (resid 52 and name HZ )(resid 27 and name HG# ) 3.0 1.2 0.3 !# !assign (resid 52 and name HZ )(resid 27 and name HA ) 4.0 2.2 2.0 !assign (resid 52 and name HD# )(resid 30 and name HB# ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 30 and name HZ ) 4.0 2.2 2.0 !assign (resid 52 and name HD# )(resid 44 and name HN ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 45 and name HB# ) 4.0 2.2 1.0 !assign (resid 52 and name HE# )(resid 45 and name HB# ) 3.0 1.2 0.3 !assign (resid 52 and name HD# )(resid 45 and name HA ) 4.0 2.2 1.0 !Ile !assign (resid 6 and name HD# )(resid 53 and name HA ) 4.0 2.2 1.5 ! !assign (resid 6 and name HB )(resid 53 and name HA ) 3.0 1.2 0.3 !Noes involving side chain amides !assign (resid 8 and name HD2# )(resid 55 and name HG2# ) 3.0 1.2 1.0 ! !# !assign (resid 8 and name HD2# )(resid 55 and name HN ) 4.0 2.2 2.0 ! !!!Short range NOEs !CaH(i)-NH(i+1) !assign (resid 1 and name HA )(resid 2 and name HN ) 2.5 0.7 0.4 !assign (resid 2 and name HA )(resid 3 and name HN ) 2.5 0.7 0.4 !assign (resid 3 and name HA )(resid 4 and name HN ) 2.5 0.7 0.4 !assign (resid 4 and name HA )(resid 5 and name HN ) 2.5 0.7 0.4 !assign (resid 5 and name HA )(resid 6 and name HN ) 2.5 0.7 0.4 !assign (resid 6 and name HA )(resid 7 and name HN ) 2.5 0.7 0.4 !assign (resid 7 and name HA )(resid 8 and name HN ) 2.5 0.7 0.4 !assign (resid 8 and name HA )(resid 9 and name HN ) 2.5 0.7 0.4 !assign (resid 9 and name HA# )(resid 10 and name HN ) 2.5 1.7 0.4 ! !assign (resid 10 and name HA )(resid 11 and name HN ) 4.0 2.2 1.0 !assign (resid 11 and name HA )(resid 12 and name HN ) 3.0 1.2 0.5 !assign (resid 12 and name HA )(resid 13 and name HN ) 2.5 0.7 0.4 !assign (resid 13 and name HA )(resid 14 and name HN ) 2.5 0.7 0.4 !assign (resid 14 and name HA# )(resid 15 and name HN ) 2.5 0.7 0.4 ! !assign (resid 15 and name HA )(resid 16 and name HN ) 2.5 0.7 0.4 !assign (resid 16 and name HA )(resid 17 and name HN ) 3.0 1.2 0.5 !assign (resid 17 and name HA )(resid 18 and name HN ) 2.5 0.7 0.4 !assign (resid 18 and name HA )(resid 19 and name HN ) 2.5 0.7 0.4 !assign (resid 19 and name HA )(resid 20 and name HN ) 2.5 0.7 0.4 !assign (resid 20 and name HA )(resid 21 and name HN ) 2.5 0.7 0.4 !assign (resid 21 and name HN )(resid 22 and name HN ) 4.0 2.2 1.4 !assign (resid 22 and name HA )(resid 23 and name HN ) 2.5 0.7 0.4 !assign (resid 23 and name HA )(resid 24 and name HN ) 4.0 2.2 1.0 !assign (resid 24 and name HA )(resid 25 and name HN ) 4.0 2.2 1.0 !assign (resid 25 and name HA )(resid 26 and name HN ) 4.0 2.2 1.0 !assign (resid 26 and name HA )(resid 27 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 28 and name HA )(resid 29 and name HN ) 4.0 2.2 1.0 !assign (resid 32 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 !assign (resid 33 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5 !assign (resid 34 and name HA )(resid 35 and name HN ) 4.0 2.2 1.0 !assign (resid 35 and name HA )(resid 36 and name HN ) 4.0 2.2 1.0 !assign (resid 36 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 !assign (resid 37 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5 !assign (resid 38 and name HA# )(resid 39 and name HN ) 3.0 1.2 0.5 ! !assign (resid 39 and name HA )(resid 40 and name HN ) 3.0 1.2 0.5 !assign (resid 40 and name HA )(resid 41 and name HN ) 3.0 1.2 0.5 !assign (resid 41 and name HA# )(resid 42 and name HN ) 2.5 0.7 0.4 ! !assign (resid 42 and name HA )(resid 43 and name HN ) 2.5 0.7 0.4 !assign (resid 43 and name HA )(resid 44 and name HN ) 2.5 0.7 0.4 !assign (resid 44 and name HA )(resid 45 and name HN ) 2.5 0.7 0.4 !assign (resid 45 and name HA )(resid 46 and name HN ) 2.5 0.7 0.4 !assign (resid 46 and name HA )(resid 47 and name HN ) 2.5 0.7 0.4 !assign (resid 47 and name HA )(resid 48 and name HN ) 4.0 2.2 2.0 !assign (resid 48 and name HA )(resid 49 and name HN ) 4.0 2.2 1.0 !assign (resid 49 and name HA )(resid 50 and name HN ) 3.0 1.2 0.5 !assign (resid 50 and name HA )(resid 51 and name HN ) 3.0 1.2 0.5 !assign (resid 51 and name HA )(resid 52 and name HN ) 2.5 0.7 0.4 !assign (resid 52 and name HA )(resid 53 and name HN ) 2.5 0.7 0.4 !assign (resid 53 and name HA )(resid 54 and name HN ) 2.5 0.7 0.4 !assign (resid 54 and name HA )(resid 55 and name HN ) 2.5 0.7 0.4 !assign (resid 55 and name HA )(resid 56 and name HN ) 2.5 0.7 0.4 !NH(i)-NH(i+1) !assign (resid 2 and name HN )(resid 3 and name HN ) 4.0 2.2 1.0 !assign (resid 6 and name HN )(resid 7 and name HN ) 4.0 2.2 1.0 !assign (resid 8 and name HN )(resid 9 and name HN ) 3.0 1.2 0.5 !assign (resid 9 and name HN )(resid 10 and name HN ) 4.0 2.2 1.0 !assign (resid 10 and name HN )(resid 11 and name HN ) 2.5 0.7 0.4 !assign (resid 11 and name HN )(resid 12 and name HN ) 2.5 0.7 0.4 !assign (resid 12 and name HN )(resid 13 and name HN ) 4.0 2.2 1.0 !assign (resid 15 and name HN )(resid 16 and name HN ) 4.0 2.2 1.0 !assign (resid 16 and name HN )(resid 17 and name HN ) 4.0 2.2 1.0 !assign (resid 18 and name HN )(resid 19 and name HN ) 4.0 2.2 1.0 !assign (resid 21 and name HN )(resid 22 and name HN ) 2.5 0.7 0.4 !assign (resid 22 and name HN )(resid 23 and name HN ) 4.0 2.2 1.0 !assign (resid 23 and name HN )(resid 24 and name HN ) 3.0 1.2 0.5 !assign (resid 24 and name HN )(resid 25 and name HN ) 2.5 0.7 0.4 !assign (resid 25 and name HN )(resid 26 and name HN ) 2.5 0.7 0.4 !assign (resid 26 and name HN )(resid 27 and name HN ) 2.5 0.7 0.4 !assign (resid 27 and name HN )(resid 28 and name HN ) 2.5 0.7 0.4 !assign (resid 28 and name HN )(resid 29 and name HN ) 2.5 0.7 0.4 !assign (resid 29 and name HN )(resid 30 and name HN ) 2.5 0.7 0.4 !assign (resid 30 and name HN )(resid 31 and name HN ) 2.5 0.7 0.4 !assign (resid 31 and name HN )(resid 32 and name HN ) 2.5 0.7 0.4 !assign (resid 32 and name HN )(resid 33 and name HN ) 2.5 0.7 0.4 !assign (resid 33 and name HN )(resid 34 and name HN ) 2.5 0.7 0.4 !assign (resid 34 and name HN )(resid 35 and name HN ) 2.5 0.7 0.4 !assign (resid 35 and name HN )(resid 36 and name HN ) 2.5 0.7 0.4 !assign (resid 36 and name HN )(resid 37 and name HN ) 2.5 0.7 0.4 !assign (resid 37 and name HN )(resid 38 and name HN ) 2.5 0.7 0.4 !assign (resid 38 and name HN )(resid 39 and name HN ) 2.5 0.7 0.4 !assign (resid 42 and name HN )(resid 43 and name HN ) 4.0 2.2 1.0 !assign (resid 44 and name HN )(resid 45 and name HN ) 4.0 2.2 1.0 !assign (resid 45 and name HN )(resid 46 and name HN ) 4.0 2.2 1.0 !assign (resid 47 and name HN )(resid 48 and name HN ) 3.0 1.2 0.5 !assign (resid 48 and name HN )(resid 49 and name HN ) 3.0 1.2 0.5 !assign (resid 49 and name HN )(resid 50 and name HN ) 2.5 0.7 0.2 !assign (resid 50 and name HN )(resid 51 and name HN ) 2.5 0.7 0.4 !assign (resid 51 and name HN )(resid 52 and name HN ) 4.0 2.2 1.0 !assign (resid 55 and name HN )(resid 56 and name HN ) 4.0 2.2 1.0 !CaH-CbH !assign (resid 2 and name HA )(resid 3 and name HB# ) 4.0 2.2 1.0 !assign (resid 4 and name HA )(resid 5 and name HB# ) 4.0 2.2 2.0 !assign (resid 30 and name HA )(resid 29 and name HB ) 4.0 2.2 1.0 !assign (resid 51 and name HA )(resid 52 and name HB# ) 4.0 2.2 1.0 !assign (resid 52 and name HA )(resid 53 and name HB ) 4.0 2.2 1.0 !assign (resid 49 and name HA )(resid 48 and name HB# ) 4.0 2.2 1.0 !# !assign (resid 34 and name HA )(resid 39 and name HB ) 4.0 2.2 1.0 !CaH(i)-NH(i+2) !assign (resid 9 and name HA# )(resid 11 and name HN ) 4.0 2.2 2.0 ! !assign (resid 20 and name HA )(resid 22 and name HN ) 4.0 2.2 1.0 !assign (resid 28 and name HA )(resid 30 and name HN ) 4.0 2.2 1.0 !assign (resid 35 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 !assign (resid 46 and name HA )(resid 48 and name HN ) 4.0 2.2 1.0 !assign (resid 48 and name HA )(resid 50 and name HN ) 4.0 2.2 1.0 ! CaH(i)-NH(i+3) !assign (resid 23 and name HA )(resid 26 and name HN ) 3.0 1.2 0.5 !assign (resid 24 and name HA )(resid 27 and name HN ) 3.0 1.2 0.5 !assign (resid 26 and name HA )(resid 29 and name HN ) 3.0 1.2 0.5 !assign (resid 28 and name HA )(resid 31 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HA )(resid 33 and name HN ) 4.0 2.2 1.0 !assign (resid 31 and name HA )(resid 34 and name HN ) 3.0 1.2 0.5 !assign (resid 32 and name HA )(resid 35 and name HN ) 4.0 2.2 1.0 !assign (resid 33 and name HA )(resid 36 and name HN ) 3.0 1.2 0.5 !assign (resid 34 and name HA )(resid 37 and name HN ) 4.0 2.2 1.0 !assign (resid 35 and name HA )(resid 38 and name HN ) 3.0 1.2 0.5 !NH(i)-NH(i+2) !assign (resid 10 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 !assign (resid 24 and name HN )(resid 26 and name HN ) 4.0 2.2 1.0 !assign (resid 27 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 !assign (resid 30 and name HN )(resid 28 and name HN ) 4.0 2.2 1.0 !assign (resid 31 and name HN )(resid 29 and name HN ) 4.0 2.2 1.0 !assign (resid 31 and name HN )(resid 33 and name HN ) 4.0 2.2 1.0 !assign (resid 34 and name HN )(resid 32 and name HN ) 4.0 2.2 1.0 !assign (resid 34 and name HN )(resid 36 and name HN ) 4.0 2.2 1.0 !assign (resid 36 and name HN )(resid 38 and name HN ) 4.0 2.2 1.0 !assign (resid 39 and name HN )(resid 37 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 48 and name HN )(resid 50 and name HN ) 4.0 2.2 1.0 !assign (resid 49 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 !NH(i)-NH(i+3) !assign (resid 9 and name HN )(resid 12 and name HN ) 4.0 2.2 1.0 !assign (resid 27 and name HN )(resid 30 and name HN ) 4.0 2.2 1.0 !NH(i)-NH(i+5) !assign (resid 46 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 ! CaH(i)-NH(i+4) !assign (resid 23 and name HA )(resid 27 and name HN ) 4.0 2.2 1.0 !assign (resid 32 and name HA )(resid 36 and name HN ) 4.0 2.2 1.0 !assign (resid 35 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 ! CaH(i)-NH(i+5) !assign (resid 34 and name HA )(resid 39 and name HN ) 4.0 2.2 1.0 !assign (resid 46 and name HA )(resid 51 and name HN ) 4.0 2.2 1.0 !CaH(i)-CbH(i+3) !assign (resid 23 and name HA )(resid 26 and name HB# ) 3.0 1.2 0.8 !# !assign (resid 24 and name HA )(resid 27 and name HB# ) 3.0 1.2 0.3 !assign (resid 26 and name HA )(resid 29 and name HB ) 3.0 1.2 0.3 !assign (resid 28 and name HA )(resid 31 and name HB# ) 3.0 1.2 0.3 !assign (resid 29 and name HA )(resid 32 and name HB# ) 3.0 1.2 0.3 !assign (resid 30 and name HA )(resid 33 and name HB# ) 3.0 1.2 0.3 !assign (resid 31 and name HA )(resid 34 and name HB# ) 3.0 1.2 0.3 !# !assign (resid 32 and name HA )(resid 35 and name HB# ) 3.0 1.2 0.3 !assign (resid 33 and name HA )(resid 36 and name HB# ) 3.0 1.2 0.3 !assign (resid 34 and name HA )(resid 37 and name HB# ) 3.0 1.2 0.3 !CaH(i)-CaH(i+5) !assign (resid 8 and name HA )(resid 13 and name HA ) 4.0 2.2 1.0 !CbH(i)-CbH(j) short range !assign (resid 51 and name HB )(resid 46 and name HB# ) 3.0 1.2 0.3 !CbH-NH !assign (resid 49 and name HN )(resid 46 and name HB# ) 4.0 2.2 1.0 !assign (resid 50 and name HN )(resid 51 and name HN ) 4.0 2.2 1.0 !assign (resid 50 and name HN )(resid 48 and name HB# ) 4.0 3.7 2.5 !# !Others !assign (resid 6 and name HB )(resid 7 and name HN ) 4.0 2.2 1.0 !assign (resid 34 and name HB# )(resid 39 and name HN ) 4.0 2.2 1.0 ! !assign (resid 37 and name HB# )(resid 39 and name HN ) 4.0 2.2 1.0 !assign (resid 23 and name HB# )(resid 26 and name HB# ) 4.0 2.2 2.0 ! !# !assign (resid 22 and name HB# )(resid 24 and name HN ) 4.0 2.2 1.0 !assign (resid 20 and name HB# )(resid 22 and name HN ) 3.0 2.7 2.0 ! !Thr hg2#(i) to j !assign (resid 2 and name HG2# )(resid 3 and name HN ) 2.5 0.7 0.9 ! !assign (resid 11 and name HG2# )(resid 12 and name HN ) 4.0 2.2 1.5 ! !assign (resid 11 and name HG2# )(resid 10 and name HB# ) 4.0 2.2 1.5 ! !# !assign (resid 16 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! !assign (resid 16 and name HG2# )(resid 17 and name HN ) 3.0 1.2 0.9 ! !assign (resid 16 and name HG2# )(resid 15 and name HA ) 4.0 2.2 1.5 ! !assign (resid 16 and name HG2# )(resid 15 and name HA ) 4.0 2.2 2.5 ! !assign (resid 18 and name HG2# )(resid 17 and name HA ) 4.0 2.2 2.5 ! !assign (resid 18 and name HG2# )(resid 19 and name HN ) 3.0 1.2 0.9 ! !assign (resid 18 and name HG2# )(resid 20 and name HN ) 4.0 2.2 1.5 ! !assign (resid 18 and name HG2# )(resid 19 and name HA ) 4.0 2.2 2.5 ! !assign (resid 25 and name HG2# )(resid 26 and name HN ) 4.0 2.2 1.5 ! !assign (resid 25 and name HG2# )(resid 22 and name HN ) 4.0 2.2 1.5 ! !assign (resid 25 and name HG2# )(resid 21 and name HN ) 4.0 2.2 1.5 ! !assign (resid 49 and name HG2# )(resid 50 and name HN ) 4.0 2.2 1.5 ! !assign (resid 49 and name HG2# )(resid 48 and name HB# ) 3.0 1.2 0.8 ! !# !assign (resid 49 and name HG2# )(resid 48 and name HN ) 4.0 2.2 1.5 ! !assign (resid 49 and name HG2# )(resid 46 and name HB# ) 4.0 2.2 2.5 ! !assign (resid 51 and name HG2# )(resid 52 and name HN ) 2.5 0.7 0.9 ! !assign (resid 51 and name HG2# )(resid 46 and name HB# ) 4.0 2.2 1.5 ! !assign (resid 53 and name HG2# )(resid 54 and name HN ) 2.5 0.7 0.9 ! !assign (resid 53 and name HG2# )(resid 55 and name HN ) 4.0 2.2 1.5 ! !assign (resid 53 and name HA )(resid 54 and name HB ) 4.0 2.2 1.0 !assign (resid 53 and name HA )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 55 and name HG2# )(resid 56 and name HN ) 3.0 1.2 0.9 ! !Val hg(i)-Others !assign (resid 54 and name HG1# )(resid 55 and name HN ) 3.0 1.2 1.0 !assign (resid 54 and name HG2# )(resid 55 and name HN ) 2.5 0.7 0.9 ! !assign (resid 54 and name HG2# )(resid 56 and name HG# ) 4.0 2.2 2.5 ! !# !assign (resid 54 and name HG1# )(resid 56 and name HG# ) 4.0 2.2 1.5 ! !# !assign (resid 39 and name HG2# )(resid 38 and name HN ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 40 and name HA ) 4.0 2.2 1.5 ! !assign (resid 39 and name HG1# )(resid 34 and name HA ) 4.0 2.2 1.5 ! !assign (resid 29 and name HG2# )(resid 26 and name HA ) 3.0 1.2 0.9 ! !assign (resid 29 and name HG1# )(resid 26 and name HA ) 3.0 1.2 0.9 ! !assign (resid 29 and name HG2# )(resid 28 and name HA ) 4.0 2.2 1.5 ! !assign (resid 29 and name HG1# )(resid 30 and name HA ) 4.0 2.2 1.5 ! !assign (resid 29 and name HG1# )(resid 33 and name HB# ) 4.0 2.2 2.5 ! !# !assign (resid 21 and name HG2# )(resid 22 and name HN ) 3.0 1.2 0.9 ! !Ile !assign (resid 6 and name HG2# )(resid 8 and name HN ) 4.0 2.2 1.5 ! !assign (resid 6 and name HG2# )(resid 8 and name HB# ) 4.0 2.2 1.5 ! !# !NOEs involving side chain amide groups !assign (resid 37 and name HD2# )(resid 33 and name HA ) 4.0 2.2 1.0 ! !assign (resid 37 and name HD2# )(resid 34 and name HA ) 4.0 2.2 2.0 ! !assign (resid 37 and name HD2# )(resid 36 and name HB# ) 4.0 2.2 1.0 ! !assign (resid 8 and name HD2# )(resid 6 and name HG2# ) 4.0 2.2 1.5 ! !# !Aromatic NOEs !assign (resid 30 and name HD# )(resid 29 and name HG1# ) 4.0 3.7 2.5 !# !assign (resid 30 and name HE# )(resid 29 and name HG1# ) 4.0 3.7 3.5 !# !assign (resid 30 and name HD# )(resid 27 and name HA ) 4.0 2.2 1.0 !assign (resid 33 and name HD# )(resid 37 and name HD2# ) 4.0 3.2 1.0 !# !assign (resid 33 and name HD# )(resid 34 and name HA ) 3.0 1.2 0.3 !assign (resid 33 and name HE# )(resid 34 and name HN ) 4.0 2.2 2.0 !assign (resid 33 and name HD# )(resid 34 and name HB# ) 4.0 2.2 1.5 !# !assign (resid 43 and name HD1 )(resid 42 and name HA ) 4.0 2.2 1.0 !assign (resid 45 and name HE# )(resid 47 and name HA ) 3.0 1.2 0.3 !assign (resid 45 and name HE# )(resid 50 and name HA ) 4.0 2.2 1.0 !assign (resid 45 and name HE# )(resid 50 and name HN ) 4.0 2.2 2.0 !assign (resid 45 and name HE# )(resid 47 and name HB# ) 3.0 1.2 0.3 !assign (resid 43 and name HE1 )(resid 40 and name HA ) 4.0 2.2 1.0 !assign (resid 43 and name HE1 )(resid 41 and name HN ) 4.0 2.2 1.0 !assign (resid 43 and name HD1 )(resid 41 and name HN ) 4.0 2.2 2.0 !assign (resid 43 and name HD1 )(resid 42 and name HB# ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 53 and name HN ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 51 and name HG2# ) 4.0 2.2 1.5 !# !assign (resid 52 and name HD# )(resid 51 and name HA ) 4.0 2.2 1.0 !assign (resid 52 and name HD# )(resid 52 and name HA ) 3.0 1.2 0.3 !Leu HD* !assign (resid 5 and name HG )(resid 7 and name HA ) 4.0 2.2 1.0 !assign (resid 5 and name HD1# )(resid 7 and name HA ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD1# )(resid 7 and name HG ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 7 and name HG ) 4.0 2.2 1.5 ! !assign (resid 5 and name HD2# )(resid 7 and name HD1# ) 3.0 1.2 1.3 ! !# !assign (resid 5 and name HD2# )(resid 7 and name HD2# ) 3.0 1.2 1.3 ! !# !assign (resid 7 and name HD2# )(resid 8 and name HN ) 4.0 2.2 1.5 ! !assign (resid 7 and name HD* )(resid 8 and name HA ) 4.0 2.2 2.5 ! !assign (resid 7 and name HD* )(resid 5 and name HB# ) 4.0 2.2 2.5 ! !assign (resid 12 and name HD1# )(resid 13 and name HN ) 3.0 1.2 0.8 ! !assign (resid 12 and name HD2# )(resid 13 and name HN ) 4.0 2.2 2.5 ! !Lys !assign (resid 13 and name HG# )(resid 8 and name HA ) 2.5 0.7 0.2 ! !assign (resid 13 and name HD# )(resid 8 and name HA ) 4.0 2.2 1.0 ! !assign (resid 13 and name HB# )(resid 8 and name HA ) 4.0 2.2 2.0 !Glu !assign (resid 27 and name HG# )(resid 24 and name HA ) 3.0 1.2 0.3 ! !Intraresidue !Ha-NH !assign (resid 2 and name HN )(resid 2 and name HA ) 3.0 1.2 0.5 !assign (resid 3 and name HN )(resid 3 and name HA ) 3.0 1.2 0.5 !assign (resid 4 and name HN )(resid 4 and name HA ) 4.0 2.2 1.0 !assign (resid 5 and name HN )(resid 5 and name HA ) 3.0 1.2 0.5 !assign (resid 6 and name HN )(resid 6 and name HA ) 3.0 1.2 0.5 !assign (resid 7 and name HN )(resid 7 and name HA ) 3.0 1.2 0.5 !assign (resid 8 and name HN )(resid 8 and name HA ) 3.0 1.2 0.5 !assign (resid 10 and name HN )(resid 10 and name HA ) 4.0 2.2 1.0 !assign (resid 11 and name HN )(resid 11 and name HA ) 4.0 2.2 1.0 !assign (resid 12 and name HN )(resid 12 and name HA ) 3.0 1.2 0.5 !assign (resid 13 and name HN )(resid 13 and name HA ) 3.0 1.2 0.5 !assign (resid 15 and name HN )(resid 15 and name HA ) 3.0 1.2 0.5 !assign (resid 16 and name HN )(resid 16 and name HA ) 3.0 1.2 0.5 !assign (resid 17 and name HN )(resid 17 and name HA ) 3.0 1.2 0.5 !assign (resid 18 and name HN )(resid 18 and name HA ) 3.0 1.2 0.5 !assign (resid 19 and name HN )(resid 19 and name HA ) 4.0 2.2 1.0 !assign (resid 20 and name HN )(resid 20 and name HA ) 3.0 1.2 0.5 !assign (resid 21 and name HN )(resid 21 and name HA ) 3.0 1.2 0.5 !assign (resid 22 and name HN )(resid 22 and name HA ) 3.0 1.2 0.5 !assign (resid 23 and name HN )(resid 23 and name HA ) 3.0 1.2 0.5 !assign (resid 24 and name HN )(resid 24 and name HA ) 3.0 1.2 0.5 !assign (resid 25 and name HN )(resid 25 and name HA ) 3.0 1.2 0.5 !assign (resid 26 and name HN )(resid 26 and name HA ) 3.0 1.2 0.5 !assign (resid 27 and name HN )(resid 27 and name HA ) 2.5 0.7 0.4 !assign (resid 28 and name HN )(resid 28 and name HA ) 3.0 1.2 0.5 !assign (resid 29 and name HN )(resid 29 and name HA ) 3.0 1.2 0.5 !assign (resid 30 and name HN )(resid 30 and name HA ) 3.0 1.2 0.5 !assign (resid 31 and name HN )(resid 31 and name HA ) 3.0 1.2 0.5 !assign (resid 32 and name HN )(resid 32 and name HA ) 3.0 1.2 0.5 !assign (resid 33 and name HN )(resid 33 and name HA ) 2.5 0.7 0.4 !assign (resid 34 and name HN )(resid 34 and name HA ) 2.5 0.7 0.4 !assign (resid 35 and name HN )(resid 35 and name HA ) 3.0 1.2 0.5 !assign (resid 36 and name HN )(resid 36 and name HA ) 2.5 0.7 0.4 !assign (resid 37 and name HN )(resid 37 and name HA ) 3.0 1.2 0.5 !assign (resid 39 and name HN )(resid 39 and name HA ) 3.0 1.2 0.5 !assign (resid 40 and name HN )(resid 40 and name HA ) 3.0 1.2 0.5 !assign (resid 42 and name HN )(resid 42 and name HA ) 3.0 1.2 0.5 !assign (resid 43 and name HN )(resid 43 and name HA ) 3.0 1.2 0.5 !assign (resid 44 and name HN )(resid 44 and name HA ) 3.0 1.2 0.5 !assign (resid 45 and name HN )(resid 45 and name HA ) 4.0 2.2 1.0 !assign (resid 46 and name HN )(resid 46 and name HA ) 3.0 1.2 0.5 !assign (resid 47 and name HN )(resid 47 and name HA ) 3.0 1.2 0.5 !assign (resid 48 and name HN )(resid 48 and name HA ) 4.0 2.2 1.0 !assign (resid 49 and name HN )(resid 49 and name HA ) 4.0 2.2 1.0 !assign (resid 50 and name HN )(resid 50 and name HA ) 2.5 0.7 0.4 !assign (resid 51 and name HN )(resid 51 and name HA ) 3.0 1.2 0.5 !assign (resid 52 and name HN )(resid 52 and name HA ) 4.0 2.2 1.0 !assign (resid 53 and name HN )(resid 53 and name HA ) 3.0 1.2 0.5 !assign (resid 54 and name HN )(resid 54 and name HA ) 3.0 1.2 0.5 !assign (resid 55 and name HN )(resid 55 and name HA ) 3.0 1.2 0.5 !assign (resid 56 and name HN )(resid 56 and name HA ) 3.0 1.2 0.5 !Ha-Hn Gly !assign (resid 9 and name HA# )(resid 9 and name HN ) 2.5 0.7 0.4 ! !assign (resid 14 and name HA# )(resid 14 and name HN ) 3.0 1.2 0.5 ! !assign (resid 38 and name HA# )(resid 38 and name HN ) 2.5 0.7 0.4 ! !assign (resid 41 and name HA# )(resid 41 and name HN ) 2.5 0.7 0.4 ! !NH-CbH !assign (resid 2 and name HN )(resid 2 and name HB ) 2.5 0.7 0.4 !assign (resid 3 and name HN )(resid 3 and name HB# ) 3.0 1.2 0.5 !assign (resid 4 and name HN )(resid 4 and name HB# ) 2.5 0.7 0.4 !assign (resid 5 and name HN )(resid 5 and name HB# ) 2.5 0.7 0.4 !assign (resid 6 and name HN )(resid 6 and name HB ) 3.0 1.2 0.5 !assign (resid 7 and name HN )(resid 7 and name HB# ) 2.5 0.7 0.4 !assign (resid 8 and name HN )(resid 8 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 10 and name HN )(resid 10 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 11 and name HN )(resid 11 and name HB ) 4.0 2.2 1.0 !assign (resid 12 and name HN )(resid 12 and name HB# ) 3.0 1.2 0.5 !assign (resid 13 and name HN )(resid 13 and name HB# ) 2.5 0.7 0.4 !assign (resid 15 and name HN )(resid 15 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 16 and name HN )(resid 16 and name HB ) 3.0 1.2 0.5 !assign (resid 17 and name HN )(resid 17 and name HB ) 4.0 2.2 1.0 !assign (resid 18 and name HN )(resid 18 and name HB ) 4.0 2.2 1.0 !assign (resid 20 and name HN )(resid 20 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 21 and name HN )(resid 21 and name HB ) 4.0 2.2 1.0 !assign (resid 22 and name HN )(resid 22 and name HB# ) 3.0 1.2 0.5 !assign (resid 23 and name HN )(resid 23 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 24 and name HN )(resid 24 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 25 and name HN )(resid 25 and name HB ) 4.0 2.2 1.0 !assign (resid 26 and name HN )(resid 26 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 27 and name HN )(resid 27 and name HB# ) 2.5 0.7 0.4 !assign (resid 28 and name HN )(resid 28 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 29 and name HN )(resid 29 and name HB ) 2.5 0.7 0.4 !assign (resid 30 and name HN )(resid 30 and name HB# ) 2.5 0.7 0.4 !assign (resid 31 and name HN )(resid 31 and name HB# ) 2.5 0.7 0.4 !assign (resid 32 and name HN )(resid 32 and name HB# ) 2.5 0.7 0.4 !assign (resid 33 and name HN )(resid 33 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 34 and name HN )(resid 34 and name HB# ) 2.5 0.7 0.4 !# !assign (resid 35 and name HN )(resid 35 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 36 and name HN )(resid 36 and name HB# ) 2.5 0.7 0.4 !assign (resid 37 and name HN )(resid 37 and name HB# ) 2.5 0.7 0.4 !assign (resid 39 and name HN )(resid 39 and name HB ) 2.5 0.7 0.4 !assign (resid 40 and name HN )(resid 40 and name HB# ) 3.0 1.2 0.5 !assign (resid 42 and name HN )(resid 42 and name HB# ) 2.5 0.7 0.4 !assign (resid 43 and name HN )(resid 43 and name HB# ) 2.5 0.7 0.4 !assign (resid 44 and name HN )(resid 44 and name HB ) 4.0 2.2 1.0 !assign (resid 45 and name HN )(resid 45 and name HB# ) 2.5 0.7 0.4 !assign (resid 46 and name HN )(resid 46 and name HB# ) 3.0 1.2 0.5 !assign (resid 47 and name HN )(resid 47 and name HB# ) 3.0 1.2 0.5 !assign (resid 48 and name HN )(resid 48 and name HB# ) 3.0 1.2 0.5 !# !assign (resid 50 and name HN )(resid 50 and name HB# ) 4.0 2.2 1.0 !assign (resid 51 and name HN )(resid 51 and name HB ) 2.5 0.7 0.4 !assign (resid 52 and name HN )(resid 52 and name HB# ) 2.5 0.7 0.4 !# !assign (resid 53 and name HN )(resid 53 and name HB ) 2.5 0.7 0.4 !assign (resid 54 and name HN )(resid 54 and name HB ) 3.0 1.2 0.5 !assign (resid 55 and name HN )(resid 55 and name HB ) 2.5 0.7 0.4 !assign (resid 56 and name HN )(resid 56 and name HB# ) 3.0 1.2 0.5 !# !Val-methyl to ha and hn !assign (resid 21 and name HN )(resid 21 and name HG* ) 3.0 1.2 1.5 !# !assign (resid 21 and name HA )(resid 21 and name HG* ) 3.0 1.2 1.3 !# !assign (resid 29 and name HA )(resid 29 and name HG2# ) 2.5 0.7 0.7 !# !assign (resid 29 and name HA )(resid 29 and name HG1# ) 3.0 1.2 0.8 !# !assign (resid 29 and name HN )(resid 29 and name HG2# ) 2.5 0.7 0.9 !# !assign (resid 29 and name HN )(resid 29 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 39 and name HA )(resid 39 and name HG1# ) 2.5 0.7 0.9 !# !assign (resid 39 and name HA )(resid 39 and name HG2# ) 3.0 1.2 0.8 !# !assign (resid 39 and name HN )(resid 39 and name HG2# ) 2.5 0.7 0.9 !# !assign (resid 39 and name HN )(resid 39 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 54 and name HA )(resid 54 and name HG1# ) 4.0 2.2 1.5 !# !assign (resid 54 and name HA )(resid 54 and name HG2# ) 2.5 0.7 0.7 !# !assign (resid 54 and name HN )(resid 54 and name HG1# ) 2.5 0.7 0.9 !# !assign (resid 54 and name HN )(resid 54 and name HG2# ) 4.0 2.2 1.5 !# !Thr !assign (resid 2 and name HG2# )(resid 2 and name HA ) 3.0 1.2 0.8 ! !assign (resid 11 and name HG2# )(resid 11 and name HA ) 2.5 0.7 0.7 ! !assign (resid 16 and name HG2# )(resid 16 and name HA ) 3.0 1.2 0.8 ! !assign (resid 17 and name HG2# )(resid 17 and name HA ) 2.5 0.7 0.5 ! !assign (resid 18 and name HG2# )(resid 18 and name HA ) 4.0 2.2 1.5 ! !assign (resid 25 and name HG2# )(resid 25 and name HA ) 2.5 0.7 0.7 ! !assign (resid 44 and name HG2# )(resid 44 and name HA ) 2.5 0.7 0.7 ! !assign (resid 51 and name HG2# )(resid 51 and name HA ) 2.5 0.7 0.7 ! !assign (resid 53 and name HG2# )(resid 53 and name HA ) 2.5 0.7 0.7 ! !assign (resid 55 and name HG2# )(resid 55 and name HA ) 4.0 2.3 1.5 ! !assign (resid 2 and name HG2# )(resid 2 and name HN ) 4.0 2.2 1.5 ! !assign (resid 11 and name HG2# )(resid 11 and name HN ) 3.0 1.2 0.8 ! !assign (resid 16 and name HG2# )(resid 16 and name HN ) 3.0 1.2 0.8 ! !assign (resid 17 and name HG2# )(resid 17 and name HN ) 3.0 1.2 0.8 ! !assign (resid 18 and name HG2# )(resid 18 and name HN ) 3.0 1.2 0.8 ! !assign (resid 25 and name HG2# )(resid 25 and name HN ) 4.0 2.2 1.5 ! !assign (resid 44 and name HG2# )(resid 44 and name HN ) 3.0 1.2 0.8 ! !assign (resid 49 and name HG2# )(resid 49 and name HN ) 3.0 1.2 0.8 ! !assign (resid 51 and name HG2# )(resid 51 and name HN ) 4.0 2.2 1.5 ! !assign (resid 53 and name HG2# )(resid 53 and name HN ) 4.0 2.2 1.5 ! !assign (resid 55 and name HG2# )(resid 55 and name HN ) 4.0 2.2 1.5 ! !Glu !assign (resid 15 and name HN )(resid 15 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 15 and name HA )(resid 15 and name HG# ) 4.0 2.2 1.0 !assign (resid 19 and name HN )(resid 19 and name HG# ) 4.0 2.2 2.0 !# !assign (resid 19 and name HA )(resid 19 and name HG# ) 4.0 2.2 1.9 !# !assign (resid 27 and name HA )(resid 27 and name HG# ) 2.5 0.7 0.4 !# !assign (resid 27 and name HN )(resid 27 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 42 and name HN )(resid 42 and name HG# ) 4.0 2.2 2.0 !# !assign (resid 56 and name HN )(resid 56 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 56 and name HA )(resid 56 and name HG# ) 2.5 0.7 0.2 !# !Met !assign (resid 1 and name HA )(resid 1 and name HG# ) 3.0 1.2 0.3 !# !Leu !assign (resid 5 and name HA )(resid 5 and name HD2# ) 4.0 2.2 2.5 !# !assign (resid 5 and name HA )(resid 5 and name HD1# ) 2.5 2.2 0.7 !# !assign (resid 5 and name HA )(resid 5 and name HG ) 4.0 2.2 1.0 !assign (resid 5 and name HN )(resid 5 and name HD2# ) 4.0 2.2 2.5 !# !assign (resid 5 and name HN )(resid 5 and name HD1# ) 4.0 2.2 1.5 !# !assign (resid 7 and name HA )(resid 7 and name HG ) 3.0 1.2 0.3 !assign (resid 7 and name HN )(resid 7 and name HG ) 3.0 1.2 0.3 !assign (resid 7 and name HA )(resid 7 and name HD2# ) 2.5 0.7 0.7 !# !assign (resid 7 and name HN )(resid 7 and name HD1# ) 3.0 1.2 0.9 !# !assign (resid 12 and name HD1# )(resid 12 and name HA ) 3.0 1.2 0.8 ! !assign (resid 12 and name HD2# )(resid 12 and name HA ) 4.0 2.2 2.5 ! !Ile !assign (resid 6 and name HN )(resid 6 and name HG1# ) 3.0 1.2 0.3 !# !assign (resid 6 and name HN )(resid 6 and name HG2# ) 4.0 2.2 1.5 !# !assign (resid 6 and name HA )(resid 6 and name HG2# ) 2.5 0.7 0.9 !# !assign (resid 6 and name HA )(resid 6 and name HD# ) 4.0 1.2 1.5 !# !assign (resid 6 and name HA )(resid 6 and name HG1# ) 3.0 1.2 0.3 !# !assign (resid 6 and name HB )(resid 6 and name HD# ) 3.0 1.2 0.8 !# ! !Lys !assign (resid 4 and name HA )(resid 4 and name HG# ) 2.5 0.7 0.2 !# !assign (resid 10 and name HN )(resid 10 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 10 and name HN )(resid 10 and name HD# ) 4.0 2.2 1.0 !# !assign (resid 13 and name HN )(resid 13 and name HG# ) 3.0 1.2 0.5 !# !assign (resid 13 and name HA )(resid 13 and name HG# ) 2.5 0.7 0.2 !# !assign (resid 28 and name HN )(resid 28 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 28 and name HA )(resid 28 and name HG# ) 3.0 1.2 0.3 !# !assign (resid 31 and name HN )(resid 31 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 31 and name HA )(resid 31 and name HG# ) 3.0 1.2 0.3 !assign (resid 31 and name HA )(resid 31 and name HD# ) 4.0 2.2 1.0 !# !assign (resid 31 and name HN )(resid 31 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 50 and name HN )(resid 50 and name HG# ) 4.0 2.2 1.0 !# !assign (resid 50 and name HN )(resid 50 and name HD# ) 4.0 2.2 1.0 !# !assign (resid 50 and name HA )(resid 50 and name HG# ) 3.0 1.2 0.3 !# !assign (resid 50 and name HA )(resid 50 and name HD# ) 4.0 2.2 1.0 !# !assign (resid 50 and name HG# )(resid 50 and name HE# ) 4.0 2.2 2.0 ! !# !Gln and Asn side chain amides !assign (resid 32 and name HA )(resid 32 and name HE2# ) 4.0 3.2 2.0 !# !assign (resid 35 and name HA )(resid 35 and name HD2# ) 4.0 3.2 1.0 !#
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