NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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25633 |
2kam   |
16028 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! noe restraints for dtoxin in MetOH 100% pD aprox. 3 ! ! restraints intra-residue: fMET-1 (FMT) ! assign (resid 1 and name HA) (resid 1 and name HN) 2.5 0.7 0.3 !. 2.6 !; 2.6 assign (resid 1 and name HF) (resid 1 and name HN) 2.3 0.5 0.5 !. 6.0 assign (resid 1 and name HN) (resid 1 and name HB#) 2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !. 6.0 !; 2.6 !e assign (resid 1 and name HA) (resid 1 and name HB#) 2.7 0.9 0.1 !3.0 1.2 0.8 !n !; 2.7 !e assign (resid 1 and name HG1) (resid 1 and name HB#) 4.8 3.0 0.2 !n !; 4.8 assign (resid 1 and name HG2) (resid 1 and name HB#) 3.7 1.9 0.1 !n !; 3.7 ! ! restraints intra-residue: ALA-2 ! assign (resid 2 and name HN) (resid 2 and name HA) 2.6 0.8 0.2 !< !. 2.5 !; 2.4 assign (resid 2 and name HN) (resid 2 and name HB#) 3.0 1.2 0.8 !< !. 3.0 !; 3.0 assign (resid 2 and name HB#) (resid 2 and name HA) 2.5 0.7 0.3 !n !. 2.9 !; 2.5 ! ! restraints intra-residue: GLN-3 ! assign (resid 3 and name HA) (resid 3 and name HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.3 !< !. 2.3 !; 2.3 !e assign (resid 3 and name HB1) (resid 3 and name HA) 2.5 0.7 0.3 !< 2.4 !.2.5 !; 2.5 assign (resid 3 and name HB2) (resid 3 and name HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.4 !< !. 2.3 !; 2.3 !e assign (resid 3 and name HB1) (resid 3 and name HG1) 2.7 0.9 0.1 !< 2.5 !. 2.4 !; 2.3 assign (resid 3 and name HN) (resid 3 and name HB2) 2.3 0.4 0.5 !6.0 4.2 0.0 !? 2.2 !< !. 2.3 !; 2.3 !e assign (resid 3 and name HG2) (resid 3 and name HB1) 2.2 0.4 0.6 !< !; 2.3 assign (resid 3 and name HN) (resid 3 and name HG2) 2.8 1.0 1.0 !< !. 2.8 !; 2.8 assign (resid 3 and name HA) (resid 3 and name HG2) 3.1 1.3 0.7 !< !. 3.6 !; 3.6 assign (resid 3 and name HN) (resid 3 and name HG1) 3.7 1.9 0.1 !< assign (resid 3 and name HB2) (resid 3 and name HG2) 2.3 0.5 0.5 !2.8 1.0 1.0 !< !. 2.4 !; 2.3 !e assign (resid 3 and name HG1) (resid 3 and name HB2) 2.5 0.7 0.3 !n assign (resid 3 and name HG1) (resid 3 and name HA) 6.0 4.2 0.0 !n !; 6.0 ! ! restraints intra-residue: ASP-4 ! assign (resid 4 and name HA) (resid 4 and name HB1) 2.2 0.4 0.6 !. 2.3 !; 2.3 assign (resid 4 and name HN) (resid 4 and name HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 4 and name HN) (resid 4 and name HA) 2.4 0.6 0.4 !< 6.0 !. 3.3 !; 2.2 assign (resid 4 and name HB2) (resid 4 and name HB1) 1.8 0.0 1.0 !< !. 1.9 !; 1.9 assign (resid 4 and name HB2) (resid 4 and name HN) 2.6 0.8 0.2 !3.2 1.4 0.6 !< !. 2.6 !e assign (resid 4 and name HA) (resid 4 and name HB2) 6.0 4.2 0.0 !n !; 6.0 ! ! restraints intra-residue: ILE-5 ! assign (resid 5 and name HA) (resid 5 and name HN) 2.7 0.9 0.1 !6.0 4.2 0.0 !? 2.3 !. 2.7 !e !assign (resid 5 and name HN) (resid 5 and name HG11) 2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.2 !< !. 2.4 !; 6.0 !e !assign (resid 5 and name HA) (resid 5 and name HG11) 2.3 0.5 0.5 !. 2.3 !; 2.3 !assign (resid 5 and name HA) (resid 5 and name HG12) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.1 !; 2.1 !e assign (resid 5 and name HA) (resid 5 and name HB) 2.2 0.4 0.6 !< !. 2.3 !; 2.3 assign (resid 5 and name HB) (resid 5 and name HN) 6.0 4.2 0.0 !1.9 0.1 0.9 !. 6.0 !; 6.0 !k !assign (resid 5 and name HA) (resid 5 and name HG2#) 6.0 4.2 0.0 !2.4 0.6 0.4 !. 6.0 !; 6.0 !k !assign (resid 5 and name HD1#) (resid 5 and name HN) 6.0 4.2 0.0 !assign (resid 5 and name HD1#) (resid 5 and name HA) 4.3 2.5 0.7 !< assign (resid 5 and name HD1#) (resid 5 and name HB) 2.8 1.5 1.5 !1.8 0.0 1.0 !. 1.9 !k !assign (resid 5 and name HG12) (resid 5 and name HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 3.4 !< !. 6.0 !; 2.6 !e !k assign (resid 5 and name HG2#) (resid 5 and name HG12) 6.0 4.2 0.0 !! !. 6.0 !: !assign (resid 5 and name HN) (resid 5 and name HG2#) 6.0 4.2 0.0 !? 2.7 !< !. 6.0 !; 6.0 assign (resid 5 and name HB) (resid 5 and name HG2#) 6.0 4.2 0.0 !2.0 0.2 0.8 !6.0 4.2 0.0 !! !. 2.0 !; 2.0 !e !k assign (resid 5 and name HD1#) (resid 5 and name HG11) 6.0 4.2 0.0 !n assign (resid 5 and name HD1#) (resid 5 and name HG12) 6.0 4.2 0.0 !n ! ! restraints intra-residue: ILE-6 ! assign (resid 6 and name HN) (resid 6 and name HA) 6.0 4.2 0.0 !? 2.2 !< 6.0 !. 6.0 !; 6.0 !assign (resid 6 and name HN) (resid 6 and name HG2#) 6.0 4.2 0.0 !? 3.0 !< !. 6.0 !; 6.0 assign (resid 6 and name HG12) (resid 6 and name HG11) 1.8 0.0 1.0 !6.0 4.2 0.0 !? 1.8 !< !. 1.8 !; 1.8 !e !assign (resid 6 and name HN) (resid 6 and name HG11) 6.0 4.2 0.0 !? 2.2 !. 6.0 !; 6.0 assign (resid 6 and name HD1#) (resid 6 and name HG11) 2.2 0.4 0.6 !< !. 2.3 !; 2.2 assign (resid 6 and name HN) (resid 6 and name HB) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0 !assign (resid 6 and name HG11) (resid 6 and name HA) 3.6 1.8 0.2 !. 2.8 !; 6.0 !assign (resid 6 and name HG12) (resid 6 and name HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !3.1 1.3 0.7 !< !. 2.6 !; 2.6 !e !k !assign (resid 6 and name HA) (resid 6 and name HD1#) 2.8 1.0 1.0 !2.3 0.5 0.5 !. 2.8 !; 6.0 !k !assign (resid 6 and name HN) (resid 6 and name HD1#) 2.8 1.0 1.0 !2.6 0.8 0.2 !< !. 2.7 !; 2.7 !k !assign (resid 6 and name HA) (resid 6 and name HG12) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0 assign (resid 6 and name HB) (resid 6 and name HG11) 6.0 4.2 0.0 !? 1.8 !assign (resid 6 and name HG2#) (resid 6 and name HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !< !. 6.0 !: !g assign (resid 6 and name HB) (resid 6 and name HG2#) 6.0 4.2 0.0 !! assign (resid 6 and name HG11) (resid 6 and name HG2#) 2.9 1.1 0.9 !n !; 2.9 assign (resid 6 and name HB) (resid 6 and name HD1#) 6.0 4.2 0.0 !n assign (resid 6 and name HD1#) (resid 6 and name HG2#) 6.0 4.2 0.0 !: ! ! restraints intra-residue: SER-7 ! assign (resid 7 and name HN) (resid 7 and name HA) 6.0 4.2 0.0 !? 2.6 !. 6.0 !; 6.0 !assign (resid 7 and name HN) (resid 7 and name HB#) 2.6 0.8 0.2 !< 2.5 !f redundancy assign (resid 7 and name HN) (resid 7 and name HB2) 6.0 4.2 0.0 !? 2.2 !. 6.0 !; 6.0 assign (resid 7 and name HN) (resid 7 and name HB1) 2.3 0.5 0.5 !n !; 2.3 assign (resid 7 and name HB2) (resid 7 and name HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 7 and name HA) (resid 7 and name HB2) 2.2 0.4 0.6 !< !. 2.2 assign (resid 7 and name HA) (resid 7 and name HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 ! ! restraints intra-residue: THR-8 ! assign (resid 8 and name HN) (resid 8 and name HG2#) 3.2 1.4 0.6 !< !. 3.1 !; 3.1 assign (resid 8 and name HA) (resid 8 and name HB) 2.7 0.9 0.1 !< 2.2 !. 2.5 !; 2.2 assign (resid 8 and name HG2#) (resid 8 and name HB) 2.4 0.6 0.4 !2.9 1.1 0.9 !< 2.5 !. 2.8 !; 2.4 !e assign (resid 8 and name HG2#) (resid 8 and name HA) 2.5 0.7 0.3 !2.9 1.1 0.9 !< 2.6 !. 2.8 !; 2.5 !e assign (resid 8 and name HB) (resid 8 and name HN) 2.3 0.5 0.5 !< !. 4.1 !; 2.3 assign (resid 8 and name HN) (resid 8 and name HA) 6.0 4.2 0.0 !2.0 0.2 0.8 ! continuation from HnHa asg 6.0 4.2 0.0 !? 2.2 !! !< 2.1 !. 2.4 !: !; 2.0 !e !g ! ! restraints intra-residue: ILE-9 ! !assign (resid 9 and name HN) (resid 9 and name HG2#) 6.0 4.2 0.0 !3.0 1.2 0.8 !< !. 6.0 !; 6.0 !k !assign (resid 9 and name HG11) (resid 9 and name HN) 2.3 0.5 0.5 !< !. 2.5 !; 2.3 assign (resid 9 and name HA) (resid 9 and name HN) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.1 !< !. 2.2 !e assign (resid 9 and name HB) (resid 9 and name HN) 6.0 4.2 0.0 !1.9 0.1 0.9 !< !. 2.1 !; 2.0 !j overlapped !assign (resid 9 and name HG12) (resid 9 and name HA) 6.0 4.2 0.0 !2.2 0.4 0.6 !< 6.0 !. 6.0 !; 6.0 !h assign (resid 9 and name HA) (resid 9 and name HB) 6.0 4.2 0.0 !? 2.1 !< assign (resid 9 and name HB) (resid 9 and name HG12) 2.2 0.4 0.6 !< !. 2.3 !; 2.3 !assign (resid 9 and name HG12) (resid 9 and name HN) 2.6 0.8 0.2 !3.0 1.2 0.8 !< !. 2.6 !; 2.6 !e !g !assign (resid 9 and name HG11) (resid 9 and name HA) 6.0 4.2 0.0 !? 2.3 !. 6.0 !; 6.0 !assign (resid 9 and name HD1#) (resid 9 and name HA) 6.0 4.2 0.0 !3.0 1.2 0.8 !. 6.0 !k assign (resid 9 and name HG12) (resid 9 and name HG11) 6.0 4.2 0.0 !1.8 0.0 1.0 !! !< !. 1.8 !: !; 1.8 !g assign (resid 9 and name HD1#) (resid 9 and name HG11) 6.0 4.2 0.0 !2.0 0.2 0.8 !! !< 1.9 !. 1.8 !: !; 1.8 !g assign (resid 9 and name HG12) (resid 9 and name HD1#) 6.0 4.2 0.0 !1.8 0.0 1.0 !! !< !g assign (resid 9 and name HG12) (resid 9 and name HG2#) 6.0 4.2 0.0 !? 2.1 assign (resid 9 and name HB) (resid 9 and name HD1#) 6.0 4.2 0.0 !2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.0 !. 2.1 !e !k !assign (resid 9 and name HD1#) (resid 9 and name HN) 2.9 1.1 0.9 !4.7 2.9 0.3 !< !. 2.9 !; 2.9 !e assign (resid 9 and name HG2#) (resid 9 and name HG12) 6.0 4.2 0.0 !! !: assign (resid 9 and name HB) (resid 9 and name HG2#) 6.0 4.2 0.0 !! !assign (resid 9 and name HA) (resid 9 and name HG2#) 6.0 4.2 0.0 !n !; 6.0 assign (resid 9 and name HB) (resid 9 and name HG11) 2.8 1.0 1.0 !1.9 0.1 0.9 !n !; 1.9 !k assign (resid 9 and name HD1#) (resid 9 and name HG2#) 6.0 4.2 0.0 !: ! ! restraints intra-residue: GLY-10 ! assign (resid 10 and name HN) (resid 10 and name HA1) 2.2 0.4 0.6 !< 6.0 !. 2.1 !; 2.1 assign (resid 10 and name HN) (resid 10 and name HA2) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !. 2.2 !; 2.2 !e assign (resid 10 and name HA1) (resid 10 and name HA2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 ! ! restraints intra-residue: ASP-11 ! assign (resid 11 and name HN) (resid 11 and name HA) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 6.0 assign (resid 11 and name HN) (resid 11 and name HB1) 2.3 0.5 0.5 !< 2.2 !. 2.3 !; 2.3 assign (resid 11 and name HA) (resid 11 and name HB1) 2.1 0.3 0.7 !< !. 2.7 !; 2.4 assign (resid 11 and name HA) (resid 11 and name HB2) 1.9 0.1 0.9 !< !. 2.4 !; 2.2 assign (resid 11 and name HN) (resid 11 and name HB2) 6.0 4.2 0.0 !2.7 0.9 0.1 !6.0 4.2 0.0 !! !? 2.4 !< !. 2.7 !; 2.7 !e !g assign (resid 11 and name HB1) (resid 11 and name HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 ! ! restraints intra-residue: LEU-12 ! assign (resid 12 and name HN) (resid 12 and name HA) 2.3 0.5 0.5 !< 6.0 !. 2.7 !; 2.2 !assign (resid 12 and name HB#) (resid 12 and name HN) 6.0 4.2 0.0 !? 2.4, redundancy assign (resid 12 and name HN) (resid 12 and name HB2) 2.0 0.2 0.8 !. 2.0 !; 2.0 assign (resid 12 and name HB1) (resid 12 and name HN) 6.0 4.2 0.0 !? 2.0 !. 6.0 !; 6.0 assign (resid 12 and name HB1) (resid 12 and name HA) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0 assign (resid 12 and name HB2) (resid 12 and name HA) 6.0 4.2 0.0 !! !: ! ! restraints intra-residue: VAL-13 ! HG* are stereoassigned: HG1* (pro-R); HG2* (pro-S) ! assign (resid 13 and name HN) (resid 13 and name HB) 2.1 0.3 0.7 !< !. 2.2 !; 2.0 assign (resid 13 and name HN) (resid 13 and name HG2#) 2.7 0.9 0.1 !. 2.6 !; 2.6 !j assign (resid 13 and name HG1#) (resid 13 and name HN) 2.8 1.0 1.0 !3.8 2.0 1.2 !< !. 2.8 !; 2.8 !e !j assign (resid 13 and name HG2#) (resid 13 and name HA) 2.7 0.9 0.1 !. 2.4 !; 2.4 !j assign (resid 13 and name HG1#) (resid 13 and name HA) 2.6 0.8 0.2 !< 6.0 !. 6.0 !; 6.0 !j assign (resid 13 and name HG2#) (resid 13 and name HB) 2.6 0.8 0.2 !< 2.4 !. 2.5 !; 2.5 !j assign (resid 13 and name HG1#) (resid 13 and name HB) 2.7 0.9 0.1 !< 2.5 !. 2.7 !; 2.4 !j assign (resid 13 and name HG2#) (resid 13 and name HG1#) 2.5 0.8 0.3 !4.6 2.8 0.4 !< 2.7 !. 3.0 !; 2.5 !e !j assign (resid 13 and name HB) (resid 13 and name HA) 2.6 0.8 0.2 !< !. 2.5 !; 2.5 assign (resid 13 and name HA) (resid 13 and name HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.2 !< !. 2.2 !; 2.1 !e ! ! restraints intra-residue: LYS-14 ! assign (resid 14 and name HN) (resid 14 and name HA) 2.4 0.6 0.4 !< 2.2 !. 2.2 !; 2.2 assign (resid 14 and name HD#) (resid 14 and name HA) 2.7 0.9 0.1 !3.2 1.4 0.6 !< 2.7 !. 3.0 !; 2.7 !e assign (resid 14 and name HA) (resid 14 and name HG#) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.7 !; 2.7 !e assign (resid 14 and name HB#) (resid 14 and name HG#) 2.8 1.0 1.0 !6.0 4.2 0.0 !? 2.7 !< !. 2.8 !; 2.8 !e assign (resid 14 and name HN) (resid 14 and name HB#) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0 assign (resid 14 and name HD#) (resid 14 and name HN) 2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.7 !< 2.6 !. 2.6 !; 2.6 !e assign (resid 14 and name HB2) (resid 14 and name HA) 6.0 4.2 0.0 !? 2.0 !< !. 6.0 assign (resid 14 and name HB1) (resid 14 and name HA) 6.0 4.2 0.0 !? 2.0 !< !. 6.0 assign (resid 14 and name HB#) (resid 14 and name HD#) 2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.3 !< !. 2.4 !e assign (resid 14 and name HD#) (resid 14 and name HG#) 6.0 4.2 0.0 !2.2 0.4 0.6 !! !< !. 2.2 !: !; 2.2 !g assign (resid 14 and name HD#) (resid 14 and name HE#) 3.0 1.2 0.8 !n assign (resid 14 and name HE2) (resid 14 and name HE1) 1.9 0.1 0.9 !n !; 1.9 assign (resid 14 and name HB2) (resid 14 and name HD#) 6.0 4.2 0.0 !n assign (resid 14 and name HB1) (resid 14 and name HD#) 6.0 4.2 0.0 !n ! ! restraints intra-residue: TRP-15 ! assign (resid 15 and name HN) (resid 15 and name HA) 2.4 0.6 0.4 !< 2.3 !. 2.2 !; 2.2 assign (resid 15 and name HD1) (resid 15 and name HB1) 3.6 1.8 0.2 !< !. 3.0 !; 2.9 assign (resid 15 and name HN) (resid 15 and name HB2) 2.4 0.6 0.4 !< !. 2.2 !; 2.2 assign (resid 15 and name HB1) (resid 15 and name HA) 2.5 0.7 0.3 !< !. 2.3 !; 2.3 assign (resid 15 and name HB2) (resid 15 and name HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 15 and name HZ2) (resid 15 and name HE1) 3.1 1.3 0.7 !< !. 3.3 !; 3.2 assign (resid 15 and name HZ3) (resid 15 and name HE3) 2.5 0.7 0.3 !< 2.4 !. 2.7 !; 2.3 assign (resid 15 and name HH2) (resid 15 and name HZ2) 2.6 0.8 0.2 !< 2.2 assign (resid 15 and name HE1) (resid 15 and name HD1) 2.6 0.8 0.2 !< !. 2.5 !; 2.3 assign (resid 15 and name HD1) (resid 15 and name HB2) 2.8 1.0 1.0 !4.3 2.5 0.7 !< !. 2.8 !; 2.8 !e assign (resid 15 and name HA) (resid 15 and name HB2) 2.1 0.3 0.7 !< !. 6.0 !; 6.0 assign (resid 15 and name HD1) (resid 15 and name HA) 2.7 0.9 0.1 !3.8 2.0 1.2 !< !. 2.9 !; 2.7 !e assign (resid 15 and name HN) (resid 15 and name HD1) 2.6 0.8 0.2 !< !. 4.6 !; 4.6 assign (resid 15 and name HE3) (resid 15 and name HB1) 2.6 0.8 0.2 !3.2 1.4 0.6 !< 2.6 !. 3.0 !; 2.6 !e assign (resid 15 and name HB1) (resid 15 and name HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !< 2.3 !. 2.4 !; 2.3 !e assign (resid 15 and name HE3) (resid 15 and name HB2) 3.0 1.2 0.8 !< !. 3.0 !; 2.9 assign (resid 15 and name HE3) (resid 15 and name HA) 3.3 1.5 0.5 !< !. 2.9 !; 2.9 assign (resid 15 and name HE3) (resid 15 and name HH2) 4.3 2.5 0.7 !n !; 4.3 ! ! restraints intra-residue: ILE-16 ! assign (resid 16 and name HN) (resid 16 and name HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.4 !. 6.0 !; 2.3 !e !assign (resid 16 and name HN) (resid 16 and name HG1#) 3.5 1.7 0.3 !< !. 3.1 !; 2.8 !assign (resid 16 and name HN) (resid 16 and name HG2#) 3.2 1.4 0.6 !< !. 3.1 !; 3.1 assign (resid 16 and name HB) (resid 16 and name HN) 2.0 0.2 0.8 !< !. 2.0 !; 1.9 assign (resid 16 and name HB) (resid 16 and name HG1#) 6.0 4.2 0.0 !2.0 0.2 0.8 !! !< !. 2.0 !; 2.0 !g !assign (resid 16 and name HA) (resid 16 and name HG1#) 6.0 4.2 0.0 !2.5 0.7 0.3 !6.0 4.2 0.0 !? 2.5 !. 2.5 !; 2.5 !e !k assign (resid 16 and name HA) (resid 16 and name HB) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.3 !< !. 2.1 !e !assign (resid 16 and name HA) (resid 16 and name HG2#) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.5 !< !. 2.4 !e !k assign (resid 16 and name HG2#) (resid 16 and name HB) 6.0 4.2 0.0 !2.2 0.4 0.6 !< !. 6.0 !; 6.0 !k assign (resid 16 and name HG2#) (resid 16 and name HG1#) 6.0 4.2 0.0 !! !: ! ! restraints intra-residue: ILE-17 ! assign (resid 17 and name HA) (resid 17 and name HN) 6.0 4.2 0.0 !? 2.2 !< !. 6.0 !; 6.0 assign (resid 17 and name HB) (resid 17 and name HN) 2.0 0.2 0.8 !6.0 4.2 0.0 !? 2.0 !. 2.1 !; 2.0 !e !assign (resid 17 and name HG11) (resid 17 and name HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.2 !. 2.3 !; 2.1 !e assign (resid 17 and name HB) (resid 17 and name HA) 2.7 0.9 0.1 !< 2.6 !. 2.5 !; 2.5 !assign (resid 17 and name HG11) (resid 17 and name HA) 2.6 0.8 0.2 !< 2.5 !. 2.3 !; 2.3 !g !k !assign (resid 17 and name HG12) (resid 17 and name HA) 2.0 0.2 0.8 !assign (resid 17 and name HA) (resid 17 and name HG2#) 6.0 4.2 0.0 !? 2.4 !< !. 6.0 !; 6.0 !assign (resid 17 and name HG12) (resid 17 and name HN) 2.8 1.0 1.0 !2.4 0.6 0.4 !. 2.5 !; 2.5 !k !assign (resid 17 and name HG2#) (resid 17 and name HN) 3.6 1.8 0.2 !< !. 2.8 !; 2.8 !assign (resid 17 and name HA) (resid 17 and name HD1#) 2.5 0.8 0.3 !2.9 1.1 0.9 !< !. 2.5 !; 2.5 !e !k assign (resid 17 and name HB) (resid 17 and name HG2#) 6.0 4.2 0.0 !? 2.0 !! !< assign (resid 17 and name HB) (resid 17 and name HD1#) 6.0 4.2 0.0 !2.1 0.3 0.7 !< !k assign (resid 17 and name HG2#) (resid 17 and name HG12) 6.0 4.2 0.0 !! !: assign (resid 17 and name HG12) (resid 17 and name HG11) 6.0 4.2 0.0 !! !: assign (resid 17 and name HD1#) (resid 17 and name HG11) 6.0 4.2 0.0 !! !: assign (resid 17 and name HG12) (resid 17 and name HD1#) 6.0 4.2 0.0 !! !assign (resid 17 and name HN) (resid 17 and name HD1#) 3.1 1.3 0.7 !n !; 3.1 ! ! restraints intra-residue: THR-18 ! assign (resid 18 and name HN) (resid 18 and name HA) 2.4 0.6 0.4 !< 6.0 !. 2.2 !; 2.2 assign (resid 18 and name HN) (resid 18 and name HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 18 and name HN) (resid 18 and name HB2) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.9 !; 2.7 !e assign (resid 18 and name HB1) (resid 18 and name HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 18 and name HA) (resid 18 and name HB1) 6.0 4.2 0.0 !? 2.2 !< assign (resid 18 and name HB2) (resid 18 and name HA) 2.3 0.5 0.5 !. 6.0 !; 2.3 ! ! restraints intra-residue: THR-19 ! assign (resid 19 and name HN) (resid 19 and name HB) 2.3 0.5 0.5 !. 3.0 !; 2.3 assign (resid 19 and name HN) (resid 19 and name HA) 2.5 0.7 0.3 !< 6.0 !. 2.7 !; 2.3 assign (resid 19 and name HG2#) (resid 19 and name HB) 2.4 0.6 0.4 !3.3 1.5 0.5 !< 2.5 !. 3.6 !; 2.4 !e assign (resid 19 and name HA) (resid 19 and name HB) 2.4 0.6 0.4 !2.9 1.1 0.9 !< 2.5 !. 2.6 !; 2.4 !e assign (resid 19 and name HG2#) (resid 19 and name HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.6 !. 2.3 !e assign (resid 19 and name HG2#) (resid 19 and name HN) 3.1 1.3 0.7 !6.0 4.2 0.0 !. 3.1 !; 3.1 !e ! ! restraints intra-residue: VAL-20 ! HG* are stereoassigned: HG1* (pro-R); HG2* (pro-S) ! assign (resid 20 and name HN) (resid 20 and name HA) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !< !. 2.2 !e assign (resid 20 and name HN) (resid 20 and name HG2#) 2.7 0.9 0.1 !2.8 1.0 1.0 !< !. 2.7 !; 2.7 !e !j assign (resid 20 and name HN) (resid 20 and name HG1#) 3.0 1.2 0.8 !< !. 3.1 !; 3.1 !j assign (resid 20 and name HB) (resid 20 and name HN) 2.0 0.2 0.8 !6.0 4.2 0.0 !? 2.0 !< !. 2.1 !; 2.0 !e assign (resid 20 and name HG2#) (resid 20 and name HA) 2.7 0.9 0.1 !< 2.3 !. 2.3 !; 2.3 !j assign (resid 20 and name HB) (resid 20 and name HG2#) 2.3 0.5 0.5 !< !. 2.4 !; 2.4 !j assign (resid 20 and name HG2#) (resid 20 and name HG1#) 1.9 0.1 0.9 !< !. 3.0 !; 2.3 assign (resid 20 and name HA) (resid 20 and name HB) 2.5 0.7 0.3 !< !. 2.5 assign (resid 20 and name HG1#) (resid 20 and name HB) 6.0 4.2 0.0 !n !; 6.0 !j assign (resid 20 and name HA) (resid 20 and name HG1#) 6.0 4.2 0.0 !: only on noe250_set1_m !j ! ! restraints intra-residue: ASN-21 ! assign (resid 21 and name HN) (resid 21 and name HA) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 6.0 assign (resid 21 and name HN) (resid 21 and name HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 21 and name HD21) (resid 21 and name HB1) 2.8 1.0 1.0 !3.2 1.4 0.6 !< 2.8 !. 3.7 !; 3.0 !e assign (resid 21 and name HB2) (resid 21 and name HA) 2.6 0.8 0.2 !< 2.3 !. 2.6 !; 2.6 assign (resid 21 and name HB2) (resid 21 and name HB1) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 21 and name HD22) (resid 21 and name HD21) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 21 and name HA) (resid 21 and name HB1) 1.9 0.1 0.9 !< !. 2.2 !; 2.2 assign (resid 21 and name HN) (resid 21 and name HB2) 6.0 4.2 0.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !! !< !. 2.6 !; 2.6 !e !g assign (resid 21 and name HD21) (resid 21 and name HB2) 3.5 1.7 0.3 !< !. 4.4 !; 3.1 assign (resid 21 and name HD22) (resid 21 and name HB1) 3.4 1.6 0.4 !< assign (resid 21 and name HB2) (resid 21 and name HD22) 3.1 1.3 0.7 !< !. 4.3 !; 4.3 assign (resid 21 and name HD21) (resid 21 and name HA) 2.9 1.1 0.9 !n !; 2.9 ! ! restraints intra-residue: LYS-22 ! assign (resid 22 and name HB2) (resid 22 and name HA) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 22 and name HG#) (resid 22 and name HB1) 2.9 1.1 0.9 !< assign (resid 22 and name HE2) (resid 22 and name HD#) 3.3 1.5 0.5 !< !. 3.0 !; 3.0 assign (resid 22 and name HA) (resid 22 and name HB1) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 22 and name HG#) (resid 22 and name HN) 2.9 1.1 0.9 !4.0 2.2 1.0 !< 3.2 !. 2.9 !; 2.9 !e !assign (resid 22 and name HB1) (resid 22 and name HN) 2.3 0.5 0.5 !< !. 2.2 !; 2.2 !k assign (resid 22 and name HB2) (resid 22 and name HN) 2.6 0.8 0.2 !< 2.4 !. 2.2 !; 2.2 assign (resid 22 and name HB1) (resid 22 and name HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 22 and name HN) (resid 22 and name HA) 6.0 4.2 0.0 !! !: assign (resid 22 and name HB2) (resid 22 and name HG#) 6.0 4.2 0.0 !! !: !assign (resid 22 and name HD#) (resid 22 and name HB1) 2.6 0.8 0.2 !n !; 2.5 !k assign (resid 22 and name HE1) (resid 22 and name HB2) 2.7 0.9 0.1 !n assign (resid 22 and name HE1) (resid 22 and name HN) 6.0 4.2 0.0 !n !assign (resid 22 and name HN) (resid 22 and name HD#) 3.3 1.5 0.5 !n !; 3.3 !l ! ! restraints intra-residue: PHE-23 ! assign (resid 23 and name HN) (resid 23 and name HB2) 2.3 0.5 0.5 !< !. 2.4 !; 2.3 assign (resid 23 and name HB1) (resid 23 and name HN) 2.7 0.9 0.2 !2.9 1.1 0.9 !< 2.7 !. 2.7 !; 2.7 !e assign (resid 23 and name HB1) (resid 23 and name HA) 2.6 0.8 0.2 !< 2.1 !. 2.6 !; 2.6 assign (resid 23 and name HB1) (resid 23 and name HB2) 1.8 0.0 1.0 !< !. 1.8 !; 1.8 assign (resid 23 and name HD#) (resid 23 and name HB2) 3.5 1.7 0.3 !< !. 4.4 !; 4.4 assign (resid 23 and name HA) (resid 23 and name HN) 2.3 0.5 0.5 !< !. 3.2 !; 2.1 assign (resid 23 and name HB2) (resid 23 and name HA) 2.3 0.5 0.5 assign (resid 23 and name HD#) (resid 23 and name HA) 2.9 1.1 0.9 !n !; 2.9 assign (resid 23 and name HD#) (resid 23 and name HB1) 4.3 2.5 0.7 !n !; 4.3 ! ! restraints intra-residue: THR-24 ! assign (resid 24 and name HN) (resid 24 and name HA) 6.0 4.2 0.0 !2.6 0.8 0.2 !< 2.2 !. 6.0 !: !; 6.0 !g assign (resid 24 and name HN) (resid 24 and name HG2#) 3.4 1.6 0.4 !< !. 3.2 !; 3.1 assign (resid 24 and name HA) (resid 24 and name HG2#) 6.0 4.2 0.0 !? 2.4 !< !: assign (resid 24 and name HB) (resid 24 and name HG2#) 6.0 4.2 0.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.5 !< !. 2.6 !: !; 2.6 !e !g assign (resid 24 and name HB) (resid 24 and name HN) 6.0 4.2 0.0 !n !: !; 6.0 ! ! restraints intra-residue: LYS-25 ! assign (resid 25 and name HN) (resid 25 and name HD2) 6.0 4.2 0.0 !? 2.5 !< !: assign (resid 25 and name HD2) (resid 25 and name HB#) 2.4 0.6 0.4 !< 2.3 !. 2.3 !; 2.3 assign (resid 25 and name HA) (resid 25 and name HD2) 2.5 0.7 0.3 !< !. 3.1 !; 3.1 assign (resid 25 and name HG2) (resid 25 and name HA) 6.0 4.2 0.0 !2.5 0.7 0.3 !4.4 2.6 0.6 !< 2.6 !. 2.5 !; 2.5 !e ! continuation of last line !j low, overlapped assign (resid 25 and name HN) (resid 25 and name HB#) 2.2 0.4 0.6 !< !. 2.3 !; 2.3 assign (resid 25 and name HG1) (resid 25 and name HB#) 2.4 0.6 0.4 !< assign (resid 25 and name HB#) (resid 25 and name HA) 6.0 4.2 0.0 !2.3 0.5 0.5 !! !< !: !g assign (resid 25 and name HA) (resid 25 and name HD1) 2.6 0.8 0.2 !< assign (resid 25 and name HG1) (resid 25 and name HA) 3.1 1.3 0.7 !4.2 2.4 0.8 !. 3.1 !e assign (resid 25 and name HA) (resid 25 and name HN) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.0 !. 2.2 !; 6.0 !e assign (resid 25 and name HG2) (resid 25 and name HB#) 2.2 0.4 0.6 !< assign (resid 25 and name HD2) (resid 25 and name HD1) 6.0 4.2 0.0 !: only on noe250_set1_m assign (resid 25 and name HD2) (resid 25 and name HE#) 6.0 4.2 0.0 !: only on noe250_set1_m ! ! restraints intra-residue: LYS-26 ! assign (resid 26 and name HN) (resid 26 and name HA) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.6 !. 2.3 !; 2.3 !e assign (resid 26 and name HB2) (resid 26 and name HG#) 2.4 0.6 0.4 !< !. 2.6 !; 2.3 assign (resid 26 and name HA) (resid 26 and name HB1) 2.4 0.6 0.4 !< !. 2.5 !; 2.5 assign (resid 26 and name HE#) (resid 26 and name HG#) 6.0 4.2 0.0 !3.5 1.7 0.3 !6.0 4.2 0.0 !< !. 3.5 !: !; 3.5 !e !g assign (resid 26 and name HN) (resid 26 and name HB2) 6.0 4.2 0.0 !? 2.3 !< !. 6.0 assign (resid 26 and name HN) (resid 26 and name HG#) 6.0 4.2 0.0 !2.6 0.8 0.2 !n !: !; 2.6 !g assign (resid 26 and name HB2) (resid 26 and name HB1) 1.8 0.0 1.0 !n !; 1.8 assign (resid 26 and name HB1) (resid 26 and name HG#) 2.7 0.9 0.1 !n assign (resid 26 and name HN) (resid 26 and name HD#) 3.4 1.6 0.4 !n !; 3.4 assign (resid 26 and name HB2) (resid 26 and name HE#) 3.1 1.3 0.7 !n !; 3.1 assign (resid 26 and name HE#) (resid 26 and name HB1) 4.3 2.5 0.7 !n !; 4.3 assign (resid 26 and name HA) (resid 26 and name HG#) 2.9 1.1 0.9 !n !; 2.9 assign (resid 26 and name HG#) (resid 26 and name HD#) 6.0 4.2 0.0 !: only on noe250_set1_m ! ! restraints inter-residue (i, i+1) ! ! 1 vs 2 ! assign (resid 2 and name HN) (resid 1 and name HA) 2.6 0.6 0.2 !2.9 1.1 0.9 !< !. 2.9 !; 2.6 !e !assign (resid 1 and name HB#) (resid 2 and name HB#) 3.8 2.0 1.2 !n !; 3.8 !f !assign (resid 2 and name HA) (resid 1 and name HA) 3.1 1.3 0.7 !n !; 2.7 !f assign (resid 2 and name HN) (resid 1 and name HB#) 2.9 1.1 0.9 !n !; 2.9 ! ! 2 vs 3 ! assign (resid 3 and name HN) (resid 2 and name HB#) 3.7 1.9 0.1 !< !. 3.5 !; 3.5 assign (resid 3 and name HN) (resid 2 and name HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !! !: !< 2.2 !. 2.4 !; 2.3 !g !assign (resid 2 and name HA) (resid 3 and name HB2) 2.3 0.5 0.5 !n !f !assign (resid 3 and name HB2) (resid 2 and name HN) 6.0 4.2 0.0 !n !f assign (resid 3 and name HN) (resid 2 and name HN) 2.1 0.3 0.7 !n !; 2.1 ! ! 3 vs 4 ! assign (resid 3 and name HB1) (resid 4 and name HN) 2.6 0.8 0.2 !< !. 2.7 !; 2.7 assign (resid 3 and name HN) (resid 4 and name HN) 1.9 0.1 0.9 !< !. 1.9 assign (resid 3 and name HA) (resid 4 and name HN) 3.9 2.1 1.1 !6.0 4.2 0.0 !? 2.4 !. 3.9 !; 6.0 !e assign (resid 3 and name HG2) (resid 4 and name HN) 6.0 4.2 0.0 !n ! ! 4 vs 5 ! assign (resid 4 and name HB2) (resid 5 and name HN) 3.2 1.4 0.6 !n ! ! 5 vs 6 ! assign (resid 6 and name HN) (resid 5 and name HA) 3.4 1.6 0.4 !2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.5 !. 2.3 !; 2.3 !e !g assign (resid 6 and name HN) (resid 5 and name HB) 6.0 4.2 0.0 !? 1.9 ! ! 6 vs 7 ! assign (resid 6 and name HA) (resid 7 and name HN) 6.0 4.2 0.0 !? 2.3 !. 6.0 !assign (resid 6 and name HN) (resid 7 and name HB2) 2.9 1.1 0.9 !f assign (resid 7 and name HN) (resid 6 and name HB) 2.2 0.4 0.6 !n !; 2.2 !assign (resid 7 and name HB2) (resid 6 and name HG2#) 2.6 0.8 0.2 !n !; 2.6 !f ! ! 7 vs 8 ! assign (resid 7 and name HB2) (resid 8 and name HN) 2.8 1.0 1.0 !2.4 0.6 0.4 !< !g assign (resid 7 and name HA) (resid 8 and name HN) 3.3 1.5 0.5 !2.6 0.8 0.2 !< !g assign (resid 7 and name HN) (resid 8 and name HN) 6.0 4.2 0.0 !2.1 0.3 0.7 !! !< !. 6.0 !g assign (resid 8 and name HN) (resid 7 and name HB1) 2.5 0.7 0.3 !< 2.4 !. 2.5 !; 2.5 ! ! 8 vs 9 ! assign (resid 8 and name HG2#) (resid 9 and name HN) 6.0 4.2 0.0 !? 3.7 !< assign (resid 9 and name HN) (resid 8 and name HB) 2.4 0.6 0.4 !< 2.2 !. 6.0 !; 2.2 assign (resid 9 and name HN) (resid 8 and name HN) 2.2 0.4 0.6 !< !. 6.0 !; 6.0 assign (resid 8 and name HA) (resid 9 and name HN) 2.9 1.1 0.9 !n !; 6.0 ! ! 9 vs 10 ! assign (resid 9 and name HN) (resid 10 and name HN) 2.3 0.5 0.5 !< 2.2 !. 2.3 !; 2.0 assign (resid 10 and name HN) (resid 9 and name HB) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.0 !. 2.2 !; 6.0 !e assign (resid 10 and name HN) (resid 9 and name HG12) 2.7 0.9 0.1 !< assign (resid 10 and name HN) (resid 9 and name HG2#) 3.2 1.4 0.6 !. 3.3 !; 3.3 ! ! 10 vs 11 ! assign (resid 10 and name HA1) (resid 11 and name HN) 6.0 4.2 0.0 !? 2.3 !. 6.0 assign (resid 10 and name HA2) (resid 11 and name HN) 2.9 1.1 0.9 !6.0 4.2 0.0 !? 2.3 !< !. 2.9 !e assign (resid 10 and name HN) (resid 11 and name HN) 1.8 0.0 1.0 !n !; 1.8 ! ! 11 vs 12 ! assign (resid 12 and name HN) (resid 11 and name HA) 6.0 4.2 0.0 !? 2.3 !. 6.0 assign (resid 12 and name HN) (resid 11 and name HB2) 3.2 1.4 0.6 !< !. 3.7 !; 3.7 assign (resid 12 and name HN) (resid 11 and name HB1) 2.6 0.8 0.2 !< !. 2.8 !; 2.8 assign (resid 12 and name HN) (resid 11 and name HN) 1.8 0.0 1.0 !n !; 1.8 ! ! 12 vs 13 ! assign (resid 12 and name HB2) (resid 13 and name HN) 6.0 4.2 0.0 !? 2.2 assign (resid 12 and name HA) (resid 13 and name HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !< !. 2.5 !; 2.5 !g assign (resid 13 and name HN) (resid 12 and name HN) 6.0 4.2 0.0 !! !. 6.0 !: ! ! 13 vs 14 ! assign (resid 13 and name HG2#) (resid 14 and name HN) 3.2 1.4 0.6 !4.3 2.5 0.7 !< !. 3.3 !; 3.2 !e !j assign (resid 13 and name HG1#) (resid 14 and name HN) 3.6 1.8 0.2 !. 6.0 !j assign (resid 13 and name HA) (resid 14 and name HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !< !. 2.9 !; 2.9 !g assign (resid 14 and name HN) (resid 13 and name HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !! !< 6.0 !. 6.0 !: !g assign (resid 14 and name HN) (resid 13 and name HB) 2.6 0.8 0.2 !< 2.5 !. 2.6 !assign (resid 13 and name HB) (resid 14 and name HA) 3.2 1.4 0.6 !n !f ! ! 14 vs 15 ! !assign (resid 14 and name HB1) (resid 15 and name HN) 2.2 0.4 0.6 !redundancy !f assign (resid 15 and name HN) (resid 14 and name HB#) 2.5 0.7 0.3 !6.0 4.2 0.0 !? 2.3 !. 2.5 !e assign (resid 15 and name HN) (resid 14 and name HA) 6.0 4.2 0.0 !? 2.3 !. 6.0 assign (resid 14 and name HN) (resid 15 and name HN) 6.0 4.2 0.0 !n ! ! 15 vs 16 ! assign (resid 15 and name HN) (resid 16 and name HN) 2.1 0.3 0.7 !< 1.9 !. 2.1 assign (resid 15 and name HB1) (resid 16 and name HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !< 6.0 !. 2.3 !: !; 2.3 !g assign (resid 15 and name HB2) (resid 16 and name HN) 3.2 1.4 0.6 !< 2.9 !. 2.9 !; 2.9 !assign (resid 16 and name HB) (resid 15 and name HB1) 2.1 0.3 0.7 !. 6.0 !f !assign (resid 15 and name HE3) (resid 16 and name HA) 3.0 1.2 0.8 !n !; 2.9 !f !assign (resid 15 and name HD1) (resid 16 and name HA) 2.9 1.1 0.9 !n !; 2.9 !f !assign (resid 15 and name HN) (resid 16 and name HA) 4.1 2.3 0.9 !n !; 4.1 !f assign (resid 16 and name HN) (resid 15 and name HA) 6.0 4.2 0.0 !n ! ! 16 vs 17 ! assign (resid 16 and name HB) (resid 17 and name HN) 2.1 0.3 0.7 !6.0 4.2 0.0 !? 2.1 !< !. 2.3 !; 2.1 !e assign (resid 16 and name HA) (resid 17 and name HN) 6.0 4.2 0.0 !n !assign (resid 16 and name HB) (resid 17 and name HA) 6.0 4.2 0.0 !n !f assign (resid 17 and name HN) (resid 16 and name HN) 6.0 4.2 0.0 !n ! ! 17 vs 18 ! assign (resid 18 and name HN) (resid 17 and name HB) 2.4 0.6 0.4 !< !. 2.4 !; 2.3 assign (resid 18 and name HN) (resid 17 and name HA) 6.0 4.2 0.0 !? 2.5 !< !. 6.0 !; 6.0 assign (resid 17 and name HG11) (resid 18 and name HN) 4.4 2.6 0.6 !n !; 4.4 assign (resid 17 and name HN) (resid 18 and name HN) 6.0 4.2 0.0 !n assign (resid 18 and name HN) (resid 17 and name HG2#) 6.0 4.2 0.0 !n !; 6.0 ! ! 18 vs 19 ! assign (resid 18 and name HA) (resid 19 and name HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !g crowded assign (resid 19 and name HN) (resid 18 and name HB1) 2.6 0.8 0.2 !< !. 3.4 !; 2.9 assign (resid 19 and name HN) (resid 18 and name HB2) 3.1 1.3 0.7 !< !. 4.6 !; 4.6 assign (resid 19 and name HN) (resid 18 and name HN) 2.8 1.0 1.0 !< 2.5 !. 2.9 !; 2.8 !assign (resid 18 and name HN) (resid 19 and name HA) 3.2 1.4 0.6 !n !; 3.2 !f ! ! 19 vs 20 ! !assign (resid 19 and name HN) (resid 20 and name HG1#) 3.0 1.2 0.8 !< !f !j assign (resid 19 and name HN) (resid 20 and name HN) 2.5 0.8 0.3 !2.8 1.0 1.0 !< 2.2 !. 2.8 !; 2.5 !e assign (resid 19 and name HB) (resid 20 and name HN) 6.0 4.2 0.0 !! !: assign (resid 19 and name HG2#) (resid 20 and name HN) 6.0 4.2 0.0 !n !j assign (resid 19 and name HA) (resid 20 and name HN) 6.0 4.2 0.0 !n ! ! 20 vs 21 ! assign (resid 20 and name HB) (resid 21 and name HN) 2.3 0.5 0.5 !< 2.2 !. 2.4 !; 2.4 assign (resid 21 and name HN) (resid 20 and name HG1#) 2.9 1.1 0.9 !< !. 2.9 !; 2.9 !j assign (resid 21 and name HN) (resid 20 and name HG2#) 3.5 1.7 0.3 !< !. 3.3 !; 3.3 !j assign (resid 20 and name HN) (resid 21 and name HN) 1.8 0.0 1.0 !n !; 1.8 assign (resid 21 and name HN) (resid 20 and name HA) 6.0 4.2 0.0 !n ! ! 21 vs 22 ! assign (resid 22 and name HN) (resid 21 and name HB1) 2.9 1.1 0.9 !< 2.7 !. 3.3 !; 6.0 assign (resid 22 and name HN) (resid 21 and name HB2) 3.0 1.2 0.8 !< 2.8 !. 6.0 assign (resid 22 and name HN) (resid 21 and name HN) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !! !. 2.4 !; 6.0 !e !g ! ! 23 vs 24 ! assign (resid 23 and name HB1) (resid 24 and name HN) 3.2 1.4 0.6 !< !. 3.4 !; 3.4 assign (resid 24 and name HN) (resid 23 and name HB2) 3.8 3.0 1.2 !3.1 1.3 0.7 !< !i assign (resid 24 and name HN) (resid 23 and name HA) 3.1 1.3 0.7 !< 2.3 !. 4.3 !; 2.5 assign (resid 24 and name HN) (resid 23 and name HN) 1.8 0.0 1.0 !n !; 1.8 ! ! 24 vs 25 ! assign (resid 24 and name HA) (resid 25 and name HN) 2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.0 !. 2.3 !e assign (resid 25 and name HN) (resid 24 and name HN) 2.2 0.4 0.6 !< !. 2.2 !; 2.2 ! ! 25 vs 26 ! assign (resid 26 and name HN) (resid 25 and name HA) 6.0 4.2 0.0 !? 2.1 ! ! restraints inter-residue (i, i+2) ! ! 1 vs 3 ! assign (resid 3 and name HN) (resid 1 and name HA) 6.0 4.2 0.0 !2.8 1.0 1.0 !n !; 2.8 !g in the diagonal ! ! 2 vs 4 ! !assign (resid 2 and name HN) (resid 4 and name HN) 2.7 0.9 0.1 !n !; 2.7 !g does not exist in my asg ! ! 3 vs 5 e 4 vs 6 ! ! ! 5 vs 7 ! assign (resid 5 and name HA) (resid 7 and name HN) 6.0 4.2 0.0 !? 2.3 !< !g in a crowded region ! ! 6 vs 8 ! !assign (resid 8 and name HN) (resid 6 and name HA) 6.0 4.2 0.0 !2.7 0.9 0.1 !! !< 6.0 !g not well defined ! ! 7 vs 9 ! assign (resid 9 and name HN) (resid 7 and name HA) 6.0 4.2 0.0 !? 2.5 !. 6.0 !assign (resid 9 and name HA) (resid 7 and name HN) 6.0 4.2 0.0 !: only on noe250_set1_m !f ! ! 9 vs 11 ! assign (resid 9 and name HA) (resid 11 and name HN) 6.0 4.2 0.0 !? 2.3 !. 6.0 ! ! 10 vs 12 ! assign (resid 12 and name HN) (resid 10 and name HA2) 6.0 4.2 0.0 !? 2.3 assign (resid 10 and name HN) (resid 12 and name HN) 6.0 4.2 0.0 !2.1 0.3 0.7 !n !g crowded region ! ! 11 vs 13 ! assign (resid 13 and name HN) (resid 11 and name HA) 6.0 4.2 0.0 !? 2.6 !g very low peak ! ! 14 vs 16 ! assign (resid 16 and name HN) (resid 14 and name HA) 2.8 1.0 1.0 !2.6 0.8 0.2 !6.0 4.2 0.0 !? 2.7 !. 2.6 !e !g assign (resid 16 and name HN) (resid 14 and name HN) 6.0 4.2 0.0 !2.6 0.8 0.2 !< !g low and crowded region ! ! 17 vs 19 ! assign (resid 17 and name HA) (resid 19 and name HN) 3.1 1.3 0.7 ! ! 18 vs 20 ! assign (resid 18 and name HA) (resid 20 and name HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !< !g low and crowded assign (resid 18 and name HN) (resid 20 and name HN) 6.0 4.2 0.0 !2.0 0.2 0.8 !n !; 2.0 !g crowded & in the diagonal ! ! 19 vs 21 ! assign (resid 19 and name HA) (resid 21 and name HN) 6.0 4.2 0.0 !? 2.2 !: !assign (resid 19 and name HN) (resid 21 and name HA) 6.0 4.2 0.0 !: only in noe250_set1_m !f ! ! 22 vs 24 ! assign (resid 24 and name HN) (resid 22 and name HA) 6.0 4.2 0.0 !3.3 1.5 0.5 !3.8 2.0 1.2 !< !. 3.3 !; 3.3 !e !g very low ! ! 23 vs 25 ! assign (resid 23 and name HA) (resid 25 and name HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !< !. 2.3 !: !; 2.3 !g ! ! restraints inter-residue (i, i+3) ! ! ! 1 vs 4 ! assign (resid 1 and name HA) (resid 4 and name HB2) 6.0 4.2 0.0 !? 2.1 !. 6.0 !; 6.0 assign (resid 1 and name HA) (resid 4 and name HB1) 2.1 0.3 0.7 !< !. 2.4 assign (resid 1 and name HA) (resid 4 and name HN) 6.0 4.2 0.0 !? 2.4 !! ! ! 2 vs 5 ! assign (resid 5 and name HN) (resid 2 and name HA) 6.0 4.2 0.0 !2.4 0.6 0.4 !6.0 4.2 0.0 !? 2.5 !. 2.4 !; 2.4 !e !continuation from last line : !h low & crowded assign (resid 5 and name HB) (resid 2 and name HA) 2.4 0.6 0.4 !< !. 2.3 !assign (resid 5 and name HG12) (resid 2 and name HB#) 2.8 1.0 1.0 !< !f !assign (resid 5 and name HD1#) (resid 2 and name HA) 2.5 0.7 0.3 !n !; 2.5 !f ! ! 3 vs 6 ! !assign (resid 3 and name HA) (resid 6 and name HD1#) 2.5 0.7 0.3 !< !. 3.3 !; 3.3 !f assign (resid 3 and name HA) (resid 6 and name HB) 2.4 0.6 0.4 !< !. 2.4 !; 2.4 assign (resid 6 and name HN) (resid 3 and name HA) 6.0 4.2 0.0 !? 2.4 !. 6.0 !; 6.0 !assign (resid 3 and name HA) (resid 6 and name HA) 3.0 1.2 0.8 !n !; 3.0 !f !assign (resid 6 and name HA) (resid 3 and name HG2) 3.0 1.2 0.8 !n !; 3.0 !f ! ! 4 vs 7 ! assign (resid 4 and name HA) (resid 7 and name HN) 6.0 4.2 0.0 !? 2.6 assign (resid 7 and name HB1) (resid 4 and name HA) 2.5 0.7 0.3 !< 2.5 !. 2.5 !assign (resid 4 and name HA) (resid 7 and name HB#) 2.6 0.8 0.2 !n !f redundancy assign (resid 4 and name HA) (resid 7 and name HB2) 2.3 0.5 0.5 !n !; 2.3 ! ! 5 vs 8 ! assign (resid 5 and name HA) (resid 8 and name HB) 2.4 0.6 0.4 !< 2.3 !. 2.2 !; 2.2 assign (resid 8 and name HN) (resid 5 and name HA) 2.8 1.0 1.0 !2.7 0.9 0.1 !n !; 2.7 !g low and super-positioned ! ! 7 vs 10 ! !assign (resid 7 and name HB1) (resid 10 and name HA2) 2.8 1.0 1.0 !f assign (resid 10 and name HN) (resid 7 and name HA) 2.9 1.1 0.9 !< !; 2.8 !assign (resid 10 and name HA1) (resid 7 and name HA) 6.0 4.2 0.0 !n !f ! ! 8 vs 11 ! assign (resid 8 and name HA) (resid 11 and name HN) 2.8 1.0 1.0 !2.3 0.5 0.5 !6.0 4.2 0.0 !? 2.3 !< !. 2.3 !; 2.5 !e !h assign (resid 8 and name HA) (resid 11 and name HB2) 2.2 0.4 0.6 !< !. 4.6 !; 3.4 assign (resid 11 and name HB1) (resid 8 and name HA) 2.6 0.8 0.2 !< 2.3 !. 2.7 !; 2.5 !assign (resid 8 and name HN) (resid 11 and name HB2) 4.0 2.2 1.0 !n !f !assign (resid 11 and name HN) (resid 8 and name HN) 3.4 1.6 0.4 !n !; 3.4 !f ! ! 9 vs 12 ! assign (resid 9 and name HA) (resid 12 and name HN) 6.0 4.2 0.0 !? 2.2 !. 6.0 assign (resid 12 and name HB1) (resid 9 and name HA) 2.6 0.8 0.2 !< !assign (resid 9 and name HN) (resid 12 and name HA) 2.6 0.8 0.2 !n !; 2.6 !f ! ! 10 vs 13 ! assign (resid 10 and name HA1) (resid 13 and name HB) 3.0 1.2 0.8 !< !. 3.3 assign (resid 10 and name HA1) (resid 13 and name HN) 6.0 4.2 0.0 !? 2.2 !. 6.0 assign (resid 13 and name HN) (resid 10 and name HA2) 2.2 0.4 0.6 !6.0 4.2 0.0 !? 2.2 !. 2.2 !e !assign (resid 13 and name HG2#) (resid 10 and name HA2) 2.8 1.0 1.0 !f !j assign (resid 13 and name HB) (resid 10 and name HA2) 2.4 0.6 0.4 !. 2.4 !; 2.4 ! ! 11 vs 14 ! assign (resid 14 and name HB#) (resid 11 and name HA) 2.3 0.5 0.5 !< !. 2.6 !; 2.6 assign (resid 11 and name HA) (resid 14 and name HN) 6.0 4.2 0.0 !! !. 6.0 !assign (resid 14 and name HD#) (resid 11 and name HA) 3.4 1.6 0.4 !n !; 3.4 !f !assign (resid 14 and name HA) (resid 11 and name HA) 2.8 1.0 1.0 !n !; 2.8 !f ! ! 12 vs 15 ! assign (resid 12 and name HA) (resid 15 and name HB2) 2.4 0.6 0.4 !. 2.2 !; 2.2 assign (resid 12 and name HA) (resid 15 and name HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !. 6.0 !; 6.0 !h assign (resid 15 and name HB1) (resid 12 and name HA) 2.3 0.5 0.5 !< !. 2.2 !; 2.2 !assign (resid 15 and name HD1) (resid 12 and name HA) 3.0 1.2 0.8 !n !; 3.0 !f ! ! 13 vs 16 ! assign (resid 13 and name HA) (resid 16 and name HB) 6.0 4.2 0.0 !? 2.1 !. 6.0 !: ! ! 14 vs 17 ! !assign (resid 14 and name HA) (resid 17 and name HD1#) 2.7 0.9 0.1 !< !f assign (resid 17 and name HN) (resid 14 and name HA) 6.0 4.2 0.0 !2.6 0.8 0.2 !. 6.0 !h assign (resid 14 and name HA) (resid 17 and name HB) 6.0 4.2 0.0 !n ! ! 15 vs 18 ! assign (resid 15 and name HA) (resid 18 and name HN) 2.8 1.0 1.0 !2.5 0.8 0.3 !6.0 4.2 0.0 !? 2.5 !. 2.5 !; 6.0 !h assign (resid 15 and name HA) (resid 18 and name HB1) 2.1 0.3 0.7 !< !. 2.6 !; 2.3 !assign (resid 18 and name HA) (resid 15 and name HB2) 2.8 1.0 1.0 !n !; 2.8 !f ! ! 16 vs 19 ! assign (resid 16 and name HA) (resid 19 and name HB) 2.5 0.7 0.3 !< 2.4 !. 2.5 !; 2.5 assign (resid 19 and name HN) (resid 16 and name HA) 3.1 1.3 0.7 !. 3.2 !; 3.2 ! ! 17 vs 20 ! assign (resid 17 and name HA) (resid 20 and name HN) 2.8 1.0 1.0 !2.7 0.9 0.1 !6.0 4.2 0.0 !? 2.7 !. 2.7 !; 6.0 !e !h assign (resid 17 and name HA) (resid 20 and name HB) 6.0 4.2 0.0 !? 2.0 !. 6.0 !assign (resid 17 and name HN) (resid 20 and name HG2#) 3.4 1.6 0.4 !n !; 3.4 !f !j !assign (resid 17 and name HA) (resid 20 and name HG2#) 2.8 1.0 1.0 !n !; 2.8 !f !j ! ! 18 vs 21 ! assign (resid 21 and name HB1) (resid 18 and name HA) 2.7 0.9 0.1 !< 2.2 !. 2.7 !; 2.5 assign (resid 18 and name HA) (resid 21 and name HB2) 6.0 4.2 0.0 !n !; 6.0 assign (resid 21 and name HN) (resid 18 and name HA) 6.0 4.2 0.0 !n ! ! 19 vs 22 ! assign (resid 19 and name HA) (resid 22 and name HB2) 2.5 0.7 0.3 !. 6.0 assign (resid 22 and name HB1) (resid 19 and name HA) 6.0 4.2 0.0 !? 2.4 !assign (resid 22 and name HG#) (resid 19 and name HB) 2.8 1.0 1.0 !< !f assign (resid 22 and name HN) (resid 19 and name HA) 6.0 4.2 0.0 !! ! ! 20 vs 23 ! assign (resid 20 and name HA) (resid 23 and name HN) 6.0 4.2 0.0 !? 2.5 assign (resid 20 and name HA) (resid 23 and name HB2) 2.6 0.8 0.2 !< !. 3.4 !; 3.4 !assign (resid 20 and name HA) (resid 23 and name HD#) 3.0 1.2 0.8 !n !; 3.0 !f ! ! 22 vs 25 ! assign (resid 22 and name HA) (resid 25 and name HN) 6.0 4.2 0.0 !2.5 0.7 0.3 !. 2.6 !; 2.6 !h very low ! ! restraints inter-residue (i, i+4) ! ! ! 2 vs 6 ! assign (resid 6 and name HN) (resid 2 and name HA) 6.0 4.2 0.0 !? 2.3 !crowded ! ! 6 vs 10 ! assign (resid 6 and name HA) (resid 10 and name HN) 6.0 4.2 0.0 !? 2.3 ! ! 7 vs 11 ! assign (resid 11 and name HN) (resid 7 and name HA) 6.0 4.2 0.0 !2.8 1.0 1.0 !n !. 2.8 !h low ! ! 8 vs 12 ! assign (resid 8 and name HA) (resid 12 and name HN) 6.0 4.2 0.0 !? 2.3 ! ! 9 vs 13 ! !assign (resid 9 and name HA) (resid 13 and name HB) 6.0 4.2 0.0 !? 2.7 !f assign (resid 9 and name HA) (resid 13 and name HN) 6.0 4.2 0.0 !2.3 0.5 0.5 !n !h low and crowded ! ! 12 vs 16 ! assign (resid 12 and name HA) (resid 16 and name HN) 2.8 1.0 1.0 !2.6 0.8 0.2 !3.2 1.4 0.6 !< 3.1 !. 2.6 !; 2.6 !e ! !h spite is well defined, is low, going to open a little the boundaries ! ! 14 vs 18 ! assign (resid 14 and name HA) (resid 18 and name HN) 6.0 4.2 0.0 !2.8 1.0 1.0 !. 6.0 !; 6.0 !h low, crowded ! ! 16 vs 20 ! assign (resid 16 and name HA) (resid 20 and name HN) 6.0 4.2 0.0 !? 2.7 !. 6.0 ! ! 17 vs 21 ! assign (resid 21 and name HN) (resid 17 and name HA) 3.0 1.2 0.8 !< !; 3.4 ! end of distance restraints
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