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 |
|
|
11300 |
1r9i   |
6027 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!residue pGLU1 assign (resid 1 and name hb* ) (resid 1 and name ha ) 0.0 0.0 4.3 !a280 w assign (resid 1 and name hb* ) (resid 1 and name ht* ) 0.0 0.0 7.0 !a280 w assign (resid 1 and name hg* ) (resid 1 and name ht* ) 0.0 0.0 7.0 !a280 w !residue ARG2 assign (resid 1 and name ha ) (resid 2 and name hn ) 0.0 0.0 2.7 ! a24 s assign (resid 1 and name ht* ) (resid 2 and name hn ) 0.0 0.0 6.0 ! a24 w assign (resid 2 and name ha ) (resid 2 and name hn ) 0.0 0.0 3.5 ! a23 m assign (resid 2 and name hb* ) (resid 2 and name hn ) 0.0 0.0 3.7 !a28 m assign (resid 2 and name hg* ) (resid 2 and name hn ) 0.0 0.0 4.5 !a29 w-m assign (resid 2 and name hg* ) (resid 2 and name he ) 0.0 0.0 4.5 !a27 vw assign (resid 2 and name hb* ) (resid 2 and name he ) 0.0 0.0 6.0 !a27 vw !residue LEU3 assign (resid 2 and name ha ) (resid 3 and name hn ) 0.0 0.0 2.7 ! a57 m assign (resid 2 and name hn ) (resid 3 and name hn ) 0.0 0.0 5.0 ! b w assign (resid 1 and name ht* ) (resid 3 and name hn ) 0.0 0.0 6.0 ! b w assign (resid 1 and name hb* ) (resid 3 and name hn ) 0.0 0.0 6.0 ! b w assign (resid 3 and name ha ) (resid 3 and name hn ) 0.0 0.0 3.5 ! a58 m-s assign (resid 2 and name hb* ) (resid 3 and name hn ) 0.0 0.0 4.5 ! a61 vw assign (resid 3 and name hb* ) (resid 3 and name hn ) 0.0 0.0 4.5 ! a62 vw assign (resid 3 and name hd** ) (resid 3 and name hn ) 0.0 0.0 8.0 ! a59 w assign (resid 2 and name hn ) (resid 3 and name hn ) 0.0 0.0 5.0 ! a60 w assign (resid 7 and name he* ) (resid 3 and name hn ) 0.0 0.0 7.0 ! a60 w !residue CYS4 assign (resid 4 and name ha ) (resid 4 and name hn ) 0.0 0.0 3.5 !a110 m assign (resid 3 and name ha ) (resid 4 and name hn ) 0.0 0.0 3.5 !a111 w assign (resid 4 and name hb1 ) (resid 4 and name hn ) 0.0 0.0 5.0 !a vw assign (resid 4 and name hb2 ) (resid 4 and name hn ) 0.0 0.0 5.0 !a113 vw assign (resid 3 and name hb1 ) (resid 4 and name hn ) 0.0 0.0 5.0 !a113 vw assign (resid 3 and name hb2 ) (resid 4 and name hn ) 0.0 0.0 5.0 ! a114 w assign (resid 3 and name hd** ) (resid 4 and name hn ) 0.0 0.0 9 ! a115 w assign (resid 3 and name hn ) (resid 4 and name hn ) 0.0 0.0 5.0 ! b22 s assign (resid 5 and name hn ) (resid 4 and name hn ) 0.0 0.0 5.0 ! c1 w assign (resid 10 and name hn ) (resid 4 and name hn ) 0.0 0.0 5.0 ! c3 w assign (resid 4 and name hb2 ) (resid 4 and name ha ) 0.0 0.0 5.0 ! c6 w assign (resid 4 and name hb1 ) (resid 4 and name ha ) 0.0 0.0 5.0 ! c5 s assign (resid 19 and name hb1 ) (resid 4 and name hb2 ) 0.0 0.0 6.0 ! c vw assign (resid 19 and name hb1 ) (resid 4 and name hb1 ) 0.0 0.0 6.0 ! c vw assign (resid 19 and name hb2 ) (resid 4 and name hb1 ) 0.0 0.0 6.0 ! c vw assign (resid 19 and name hb2 ) (resid 4 and name hb2 ) 0.0 0.0 6.0 ! c vw assign (resid 16 and name hb1 ) (resid 4 and name hb1 ) 0.0 0.0 5.0 ! c85 w assign (resid 7 and name hb2 ) (resid 7 and name hz ) 0.0 0.0 6.0 !c64 assign (resid 4 and name ha ) (resid 7 and name hz ) 0.0 0.0 7.0 !c63 assign (resid 2 and name hb* ) (resid 7 and name he* ) 0.0 0.0 9 !c45 assign (resid 3 and name hd1* ) (resid 7 and name he* ) 0.0 0.0 9.5 !c45 assign (resid 3 and name hd1* ) (resid 7 and name hz ) 0.0 0.0 7.5 !c46 assign (resid 3 and name hd2* ) (resid 7 and name he* ) 0.0 0.0 9.5 !c45 assign (resid 3 and name hd2* ) (resid 7 and name hz ) 0.0 0.0 7.5 !c46 assign (resid 3 and name ha ) (resid 7 and name hz ) 0.0 0.0 6.5 !c assign (resid 3 and name ha ) (resid 7 and name he* ) 0.0 0.0 8.0 !c assign (resid 10 and name ha ) (resid 7 and name he* ) 0.0 0.0 7.0 !c46 assign (resid 10 and name hn ) (resid 7 and name he* ) 0.0 0.0 8.0 !c46 assign (resid 10 and name hb1 ) (resid 7 and name he* ) 0.0 0.0 7.0 !c46 assign (resid 10 and name hb2 ) (resid 7 and name he* ) 0.0 0.0 7.0 !c46 assign (resid 10 and name hb1 ) (resid 7 and name hz ) 0.0 0.0 6.0 !c46 assign (resid 10 and name hb2 ) (resid 7 and name hz ) 0.0 0.0 6.0 !c46 assign (resid 8 and name hd12 ) (resid 7 and name ha ) 0.0 0.0 3.5 !c46 assign (resid 8 and name hd11 ) (resid 7 and name ha ) 0.0 0.0 3.5 !c46 !residue HYP8 assign (resid 8 and name hd11 ) (resid 8 and name hg ) 0.0 0.0 3.5 !c22 m assign (resid 8 and name hd12 ) (resid 8 and name hg ) 0.0 0.0 3.5 !c22 m assign (resid 8 and name hd11 ) (resid 8 and name ha ) 0.0 0.0 5.0 !c w assign (resid 8 and name hd12 ) (resid 8 and name ha ) 0.0 0.0 5.0 !c w assign (resid 8 and name hb1 ) (resid 8 and name hg ) 0.0 0.0 3.5 !c27 OL assign (resid 8 and name hb2 ) (resid 8 and name hg ) 0.0 0.0 3.5 !c34 m assign (resid 8 and name hb2 ) (resid 8 and name ha ) 0.0 0.0 5.0 !c94 w assign (resid 8 and name hb1 ) (resid 8 and name ha ) 0.0 0.0 3.5 !c95 m assign (resid 8 and name hd11 ) (resid 8 and name ha ) 0.0 0.0 5.0 !c96 w assign (resid 8 and name hd12 ) (resid 8 and name ha ) 0.0 0.0 5.0 !c97 w assign (resid 8 and name hb1 ) (resid 8 and name hd11 ) 0.0 0.0 5.0 !c77 w assign (resid 8 and name hb2 ) (resid 8 and name hd11 ) 0.0 0.0 5.0 !c78 m assign (resid 8 and name hb2 ) (resid 8 and name hd12 ) 0.0 0.0 5.0 !c80 w assign (resid 8 and name hb1 ) (resid 8 and name hd12 ) 0.0 0.0 5.0 !c79 w assign (resid 7 and name hb1 ) (resid 8 and name hd12 ) 0.0 0.0 5.0 !c w assign (resid 7 and name hb2 ) (resid 8 and name hd12 ) 0.0 0.0 5.0 !c w assign (resid 7 and name hb1 ) (resid 8 and name hd11 ) 0.0 0.0 5.0 !c w assign (resid 7 and name hb2 ) (resid 8 and name hd11 ) 0.0 0.0 5.0 !c w !residue LYS9 assign (resid 8 and name ha ) (resid 9 and name hn ) 0.0 0.0 3.5 ! a31 OL assign (resid 9 and name ha ) (resid 9 and name hn ) 0.0 0.0 2.9 ! a31 OL assign (resid 8 and name hb1 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a38w assign (resid 8 and name hb2 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a39 m assign (resid 9 and name hb1 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a39 m assign (resid 9 and name hb2 ) (resid 9 and name hn ) 0.0 0.0 5.0 ! a39 m assign (resid 9 and name hd* ) (resid 9 and name hn ) 0.0 0.0 7.0 ! a43 vw assign (resid 9 and name hg* ) (resid 9 and name hn ) 0.0 0.0 6.0 !a45 w assign (resid 10 and name hn ) (resid 9 and name hn ) 0.0 0.0 2.7 !a14 s assign (resid 7 and name he* ) (resid 9 and name hn ) 0.0 0.0 7.0 !a13 m assign (resid 7 and name ha ) (resid 9 and name hn ) 0.0 0.0 6.0 !a w assign (resid 11 and name hn ) (resid 9 and name hn ) 0.0 0.0 6.0 !a13 m assign (resid 9 and name hb1 ) (resid 9 and name ha ) 0.0 0.0 3.5 !c93 m-s assign (resid 9 and name hb2 ) (resid 9 and name ha ) 0.0 0.0 5.0 !c39 w assign (resid 9 and name hd* ) (resid 9 and name ha ) 0.0 0.0 7.0 !c40 vw assign (resid 9 and name hg1 ) (resid 9 and name ha ) 0.0 0.0 5.0 !c41 w assign (resid 9 and name hg2 ) (resid 9 and name ha ) 0.0 0.0 5.0 !c42 w !residue SER10 assign (resid 8 and name ha ) (resid 10 and name hn ) 0.0 0.0 5.0 ! a189 vw assign (resid 9 and name ha ) (resid 10 and name hn ) 0.0 0.0 5.0 ! a190 vw assign (resid 10 and name ha ) (resid 10 and name hn ) 0.0 0.0 3.5 !a177 m assign (resid 10 and name hb1 ) (resid 10 and name hn ) 0.0 0.0 5.0 !a178 s assign (resid 10 and name hb2 ) (resid 10 and name hn ) 0.0 0.0 5.0 ! a176 w assign (resid 9 and name hb1 ) (resid 10 and name hn ) 0.0 0.0 5.0 ! a181 w assign (resid 9 and name hb2 ) (resid 10 and name hn ) 0.0 0.0 5.0 ! a182 w assign (resid 7 and name hb1 ) (resid 10 and name hn ) 0.0 0.0 6.0 ! a180 w assign (resid 7 and name hb2 ) (resid 10 and name hn ) 0.0 0.0 6.0 ! a183 w assign (resid 7 and name hn ) (resid 10 and name hn ) 0.0 0.0 6.0 ! a184 vw assign (resid 7 and name ha ) (resid 10 and name hn ) 0.0 0.0 7.0 ! a184 vw assign (resid 11 and name hn ) (resid 10 and name hn ) 0.0 0.0 2.7 ! a185 vw assign (resid 7 and name he* ) (resid 10 and name hn ) 0.0 0.0 7.0 ! a vw !residue CYS11 assign (resid 11 and name ha ) (resid 11 and name hn ) 0.0 0.0 3.5 ! a84 m assign (resid 10 and name ha ) (resid 11 and name hn ) 0.0 0.0 5.0 !a87 w assign (resid 10 and name hb1 ) (resid 11 and name hn ) 0.0 0.0 5.0 !a88 w assign (resid 10 and name hb2 ) (resid 11 and name hn ) 0.0 0.0 5.0 ! a85 w assign (resid 9 and name ha ) (resid 11 and name hn ) 0.0 0.0 6.0 ! a86 vw assign (resid 9 and name hb* ) (resid 11 and name hn ) 0.0 0.0 7.0 !a91 vw assign (resid 11 and name hb1 ) (resid 11 and name hn ) 0.0 0.0 5.0 !a104 w assign (resid 11 and name hb2 ) (resid 11 and name hn ) 0.0 0.0 5.0 !b28 m assign (resid 12 and name hn ) (resid 11 and name hn ) 0.0 0.0 3.5 !b30 s assign (resid 7 and name he* ) (resid 11 and name hn ) 0.0 0.0 7.0 !c18 vw assign (resid 13 and name hn ) (resid 11 and name hn ) 0.0 0.0 6.0 !b w assign (resid 11 and name hb1 ) (resid 11 and name ha ) 0.0 0.0 5.0 !c19 s assign (resid 11 and name hb2 ) (resid 11 and name ha ) 0.0 0.0 5.0 !c20 w assign (resid 16 and name hb1 ) (resid 11 and name ha ) 0.0 0.0 5.0 !c20 w assign (resid 16 and name hb2 ) (resid 11 and name ha ) 0.0 0.0 5.0 !c20 w !residue ARG12 assign (resid 12 and name ha ) (resid 12 and name hn ) 0.0 0.0 3.5 ! a216 m assign (resid 11 and name ha ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a213 assign (resid 9 and name ha ) (resid 12 and name hn ) 0.0 0.0 6.0 ! a215 vw assign (resid 10 and name ha ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a217 vw assign (resid 12 and name hb1 ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a vw assign (resid 12 and name hb2 ) (resid 12 and name hn ) 0.0 0.0 3.5 ! a w assign (resid 12 and name hg1 ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a218 m assign (resid 12 and name hg2 ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a220 vw assign (resid 11 and name hb1 ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a221 w assign (resid 11 and name hb2 ) (resid 12 and name hn ) 0.0 0.0 5.0 ! a222 w assign (resid 12 and name hd* ) (resid 12 and name hn ) 0.0 0.0 6.0 ! a222 w assign (resid 12 and name hg1 ) (resid 12 and name he ) 0.0 0.0 5.0 ! a222 w assign (resid 12 and name hg2 ) (resid 12 and name he ) 0.0 0.0 5.0 ! a222 w assign (resid 12 and name hb* ) (resid 12 and name he ) 0.0 0.0 6.0 ! a222 w assign (resid 12 and name hb* ) (resid 12 and name ha ) 0.0 0.0 4.5 ! c104 m !residue SER13 assign (resid 13 and name ha ) (resid 13 and name hn ) 0.0 0.0 3.5 ! a123 w assign (resid 12 and name ha ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a124 w assign (resid 11 and name ha ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a122 w assign (resid 13 and name hb2 ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a125 w assign (resid 13 and name hb1 ) (resid 13 and name hn ) 0.0 0.0 3.5 ! a128 m assign (resid 16 and name ha ) (resid 13 and name hn ) 0.0 0.0 6.0 ! a vw assign (resid 16 and name hb1 ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a130 w assign (resid 16 and name hb2 ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a132 w assign (resid 12 and name hb1 ) (resid 13 and name hn ) 0.0 0.0 5.0 ! a133 vw assign (resid 12 and name hb2 ) (resid 13 and name hn ) 0.0 0.0 5.0 !b35 w assign (resid 12 and name hg1 ) (resid 13 and name hn ) 0.0 0.0 6.0 !b38 s assign (resid 12 and name hg2 ) (resid 13 and name hn ) 0.0 0.0 6.0 !b39 m-w assign (resid 13 and name hg ) (resid 13 and name hn ) 0.0 0.0 5.0 !c106 w assign (resid 16 and name hn ) (resid 13 and name hg ) 0.0 0.0 6.0 !c107 w assign (resid 15 and name hn ) (resid 13 and name hg ) 0.0 0.0 6.0 !c107 w assign (resid 15 and name he21 ) (resid 13 and name hg ) 0.0 0.0 6.0 !c107 w assign (resid 12 and name hn ) (resid 13 and name hn ) 0.0 0.0 2.7 !c107 w assign (resid 16 and name hn ) (resid 13 and name hn ) 0.0 0.0 5.0 !c107 w assign (resid 17 and name hn ) (resid 13 and name hn ) 0.0 0.0 5.0 !c107 w !residue ARG14 assign (resid 14 and name ha ) (resid 14 and name hn ) 0.0 0.0 3.5 ! a14 m assign (resid 13 and name ha ) (resid 14 and name hn ) 0.0 0.0 2.7 ! a10 s assign (resid 13 and name hb2 ) (resid 14 and name hn ) 0.0 0.0 5.0 ! a15 w assign (resid 14 and name hb1 ) (resid 14 and name hn ) 0.0 0.0 2.7 ! a16 w assign (resid 14 and name hb2 ) (resid 14 and name hn ) 0.0 0.0 5.0 ! a17 a vw assign (resid 14 and name hg1 ) (resid 14 and name hn ) 0.0 0.0 5.0 ! a17 w assign (resid 14 and name hg2 ) (resid 14 and name hn ) 0.0 0.0 5.0 ! a18 w assign (resid 15 and name hn ) (resid 14 and name hn ) 0.0 0.0 3.5 ! a19 m assign (resid 17 and name hn ) (resid 14 and name hn ) 0.0 0.0 6.0 ! b7 w-vw assign (resid 16 and name hn ) (resid 14 and name hn ) 0.0 0.0 5.0 ! b8 m-w assign (resid 13 and name hn ) (resid 14 and name hn ) 0.0 0.0 5.0 ! c68 m assign (resid 14 and name hg1 ) (resid 14 and name ha ) 0.0 0.0 5.0 ! c69 w assign (resid 14 and name hg2 ) (resid 14 and name ha ) 0.0 0.0 5.0 ! c70 w !residue GLU15 assign (resid 13 and name ha ) (resid 15 and name hn ) 0.0 0.0 5.0 !a69 w assign (resid 15 and name ha ) (resid 15 and name hn ) 0.0 0.0 2.9 !a71 s assign (resid 14 and name ha ) (resid 15 and name hn ) 0.0 0.0 5.0 !a72 w assign (resid 13 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a70 m assign (resid 13 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a73 w assign (resid 15 and name hg* ) (resid 15 and name hn ) 0.0 0.0 4.5 !a76 w assign (resid 15 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a77 w assign (resid 15 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a78 m assign (resid 14 and name hb1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a79 m assign (resid 14 and name hb2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a80 w assign (resid 14 and name hg1 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a81 w assign (resid 14 and name hg2 ) (resid 15 and name hn ) 0.0 0.0 5.0 !a82 w assign (resid 15 and name ha ) (resid 15 and name he21 ) 0.0 0.0 6.0 !b27 s assign (resid 15 and name ha ) (resid 15 and name he22 ) 0.0 0.0 6.0 !b26 m-w assign (resid 13 and name hb* ) (resid 15 and name he21 ) 0.0 0.0 6.0 !b25 w assign (resid 15 and name hg* ) (resid 15 and name he22 ) 0.0 0.0 6.0 !c54 OL assign (resid 15 and name hb* ) (resid 15 and name he21 ) 0.0 0.0 7.0 !c55 m assign (resid 16 and name hn ) (resid 15 and name hn ) 0.0 0.0 2.7 !c55 m assign (resid 17 and name hn ) (resid 15 and name hn ) 0.0 0.0 6.0 !c55 m assign (resid 18 and name hd11 ) (resid 15 and name ha ) 0.0 0.0 5.0 !c w assign (resid 18 and name hd12 ) (resid 15 and name ha ) 0.0 0.0 5.0 !c w assign (resid 13 and name hn ) (resid 15 and name hn ) 0.0 0.0 6.0 !c55 m assign (resid 15 and name hn ) (resid 15 and name he22 ) 0.0 0.0 6.0 !c54 OL assign (resid 15 and name hb* ) (resid 15 and name ha ) 0.0 0.0 3.7 !c54 OL assign (resid 15 and name hg* ) (resid 15 and name ha ) 0.0 0.0 6.0 !c54 OL ! residue CYS16 assign (resid 16 and name ha ) (resid 16 and name hn ) 0.0 0.0 2.9 ! a226 m assign (resid 13 and name ha ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a227 w assign (resid 13 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a228 w assign (resid 15 and name ha ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a229 w assign (resid 14 and name ha ) (resid 16 and name hn ) 0.0 0.0 6.0 ! a230 w assign (resid 13 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a231 w assign (resid 16 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a233 w assign (resid 16 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a234 s assign (resid 18 and name hd11 ) (resid 16 and name hn ) 0.0 0.0 5.0 ! a235 w assign (resid 15 and name hb1 ) (resid 16 and name hn ) 0.0 0.0 3.5 ! a236 vw assign (resid 15 and name hb2 ) (resid 16 and name hn ) 0.0 0.0 6.0 !a238 w assign (resid 15 and name hg* ) (resid 16 and name hn ) 0.0 0.0 6.0 !a239 w assign (resid 15 and name hg2 ) (resid 16 and name hn ) 0.0 0.0 5.0 !a240 w assign (resid 14 and name hb* ) (resid 16 and name hn ) 0.0 0.0 7.0 !a243 vw assign (resid 17 and name hn ) (resid 16 and name hn ) 0.0 0.0 2.7 !a244 vw assign (resid 3 and name hd** ) (resid 16 and name hn ) 0.0 0.0 9.5 !a vw assign (resid 16 and name hb1 ) (resid 16 and name ha ) 0.0 0.0 5.0 !c10 s assign (resid 16 and name hb2 ) (resid 16 and name ha ) 0.0 0.0 5.0 !c12 w assign (resid 19 and name hb* ) (resid 16 and name ha ) 0.0 0.0 6.0 !c vw assign (resid 4 and name hb1 ) (resid 16 and name ha ) 0.0 0.0 6.0 !c vw assign (resid 4 and name hb2 ) (resid 16 and name ha ) 0.0 0.0 6.0 !c vw !residue ARG17 assign (resid 16 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a153 w-m assign (resid 17 and name ha ) (resid 17 and name hn ) 0.0 0.0 2.9 !a154 SD assign (resid 13 and name ha ) (resid 17 and name hn ) 0.0 0.0 6.0 !a 156 vw assign (resid 14 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a158a w assign (resid 18 and name ha ) (resid 17 and name hn ) 0.0 0.0 6.0 !a159 w assign (resid 18 and name hd11 ) (resid 17 and name hn ) 0.0 0.0 4.0 !a160 m assign (resid 18 and name hd12 ) (resid 17 and name hn ) 0.0 0.0 4.0 !a163 m assign (resid 16 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a161 w assign (resid 16 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a167 m assign (resid 22 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a162 w assign (resid 22 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 6.0 !a166 vw assign (resid 17 and name hb1 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a166 vw assign (resid 17 and name hb2 ) (resid 17 and name hn ) 0.0 0.0 5.0 !a164 vw assign (resid 15 and name ha ) (resid 17 and name hn ) 0.0 0.0 5.0 !a w assign (resid 18 and name hd11 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c47 OL assign (resid 18 and name hd12 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c48 m assign (resid 17 and name hb* ) (resid 17 and name ha ) 0.0 0.0 4.5 !c61 m assign (resid 17 and name hg* ) (resid 17 and name ha ) 0.0 0.0 6.0 !c62 w assign (resid 22 and name hb2 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c62 w assign (resid 22 and name hb1 ) (resid 17 and name ha ) 0.0 0.0 5.0 !c62 w assign (resid 17 and name hd* ) (resid 17 and name he ) 0.0 0.0 6.0 !a290 w assign (resid 22 and name hb1 ) (resid 17 and name he ) 0.0 0.0 6.0 !a294 vw assign (resid 22 and name hb2 ) (resid 17 and name he ) 0.0 0.0 6.0 !a297 vw assign (resid 17 and name hb1 ) (resid 17 and name he ) 0.0 0.0 6.0 !a298 w assign (resid 17 and name hb2 ) (resid 17 and name he ) 0.0 0.0 6.0 !a299 w assign (resid 17 and name hg1 ) (resid 17 and name he ) 0.0 0.0 6.0 !a300 w assign (resid 17 and name hg2 ) (resid 17 and name he ) 0.0 0.0 6.0 !a301 w !residue HYP18 assign (resid 18 and name hb1 ) (resid 18 and name ha ) 0.0 0.0 3.5 ! c27 OL assign (resid 18 and name hb2 ) (resid 18 and name ha ) 0.0 0.0 3.5 ! c28 m assign (resid 18 and name hb* ) (resid 18 and name hg ) 0.0 0.0 3.7 ! c31 s assign (resid 18 and name hd11 ) (resid 18 and name ha ) 0.0 0.0 5.0 ! c23 w assign (resid 18 and name hd12 ) (resid 18 and name ha ) 0.0 0.0 5.0 ! c25 w assign (resid 18 and name hd12 ) (resid 18 and name hg ) 0.0 0.0 3.5 ! c30 s assign (resid 18 and name hd11 ) (resid 18 and name hg ) 0.0 0.0 3.5 ! c29 m assign (resid 18 and name hb2 ) (resid 18 and name hd11 ) 0.0 0.0 5.0 !c74 s assign (resid 18 and name hb1 ) (resid 18 and name hd11 ) 0.0 0.0 5.0 !c73 w assign (resid 18 and name hb1 ) (resid 18 and name hd12 ) 0.0 0.0 5.0 !c98 w assign (resid 18 and name hb2 ) (resid 18 and name hd12 ) 0.0 0.0 5.0 !c99 w assign (resid 17 and name hg* ) (resid 18 and name hd11 ) 0.0 0.0 6.0 !c75 w assign (resid 17 and name hg* ) (resid 18 and name hd12 ) 0.0 0.0 6.0 !c w assign (resid 17 and name hb* ) (resid 18 and name hd11 ) 0.0 0.0 6.0 !c75 w assign (resid 17 and name hb* ) (resid 18 and name hd12 ) 0.0 0.0 6.0 !c w !residue HIS19 assign (resid 19 and name ha ) (resid 19 and name hn ) 0.0 0.0 3.5 ! a140 m assign (resid 16 and name ha ) (resid 19 and name hn ) 0.0 0.0 5.0 ! a136 w-m assign (resid 17 and name ha ) (resid 19 and name hn ) 0.0 0.0 5.0 ! a OL assign (resid 18 and name ha ) (resid 19 and name hn ) 0.0 0.0 3.5 !a137 w-m assign (resid 18 and name hg ) (resid 19 and name hn ) 0.0 0.0 5.0 !a138 w assign (resid 18 and name hd11 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a141 w assign (resid 18 and name hd12 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a144 m assign (resid 22 and name hb1 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a143 w assign (resid 22 and name hb2 ) (resid 19 and name hn ) 0.0 0.0 5.0 !a145 w assign (resid 17 and name hb* ) (resid 19 and name hn ) 0.0 0.0 6.0 !a150 w assign (resid 17 and name hn ) (resid 19 and name hn ) 0.0 0.0 5.0 !b w assign (resid 22 and name H2 ) (resid 19 and name hn ) 0.0 0.0 6.0 !b36 w assign (resid 22 and name hn ) (resid 19 and name hn ) 0.0 0.0 5.0 !b36 w assign (resid 19 and name hd1 ) (resid 19 and name hn ) 0.0 0.0 5.5 !b36 w ! ring hd2 assign (resid 16 and name ha ) (resid 19 and name hd2 ) 0.0 0.0 4.0 !a248 m assign (resid 18 and name ha ) (resid 19 and name hd2 ) 0.0 0.0 6.5 !a302 w assign (resid 19 and name ha ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a250 w assign (resid 17 and name ha ) (resid 19 and name hd2 ) 0.0 0.0 6.5 !a vw assign (resid 19 and name hb1 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a303 w assign (resid 19 and name hb2 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a262 w assign (resid 4 and name hb1 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a251 vw assign (resid 4 and name hb2 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a252 vw assign (resid 18 and name hd11 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a305 vw assign (resid 18 and name hd12 ) (resid 19 and name hd2 ) 0.0 0.0 5.5 !a253 vw assign (resid 18 and name hb* ) (resid 19 and name hd2 ) 0.0 0.0 6.5 !a306 vw assign (resid 22 and name hb2 ) (resid 19 and name hd2 ) 0.0 0.0 6.5 !a307 vw !residue ARG20 assign (resid 20 and name ha ) (resid 20 and name hn ) 0.0 0.0 3.5 ! A m assign (resid 19 and name ha ) (resid 20 and name hn ) 0.0 0.0 5.0 ! a w assign (resid 20 and name hb* ) (resid 20 and name hn ) 0.0 0.0 3.7 ! a4 s-m assign (resid 20 and name hg* ) (resid 20 and name hn ) 0.0 0.0 6.0 ! a5 w assign (resid 19 and name hb* ) (resid 20 and name hn ) 0.0 0.0 4.5 ! a6 vw assign (resid 20 and name hd* ) (resid 20 and name hn ) 0.0 0.0 7.0 ! a7 w assign (resid 22 and name hn ) (resid 20 and name hn ) 0.0 0.0 5.0 ! b2 w assign (resid 19 and name hn ) (resid 20 and name hn ) 0.0 0.0 5.0 ! b3 w assign (resid 20 and name hg* ) (resid 20 and name he ) 0.0 0.0 6.0 ! b4 s assign (resid 20 and name hb* ) (resid 20 and name he ) 0.0 0.0 6.0 ! b4 s !residue CYS21 assign (resid 20 and name ha ) (resid 21 and name hn ) 0.0 0.0 5.0 ! a48 m assign (resid 21 and name ha ) (resid 21 and name hn ) 0.0 0.0 3.5 ! a47 m assign (resid 21 and name hb1 ) (resid 21 and name hn ) 0.0 0.0 5.0 !a50 w assign (resid 21 and name hb2 ) (resid 21 and name hn ) 0.0 0.0 3.5 !a53 s assign (resid 20 and name hb* ) (resid 21 and name hn ) 0.0 0.0 6.0 !a51 w assign (resid 19 and name hb* ) (resid 21 and name hn ) 0.0 0.0 6.0 !a54 w assign (resid 19 and name hn ) (resid 21 and name hn ) 0.0 0.0 5.0 !b17 w assign (resid 19 and name ha ) (resid 21 and name hn ) 0.0 0.0 5.0 !b17 w assign (resid 5 and name hb2 ) (resid 21 and name ha ) 0.0 0.0 6.0 !c100 w assign (resid 21 and name hb1 ) (resid 21 and name ha ) 0.0 0.0 3.5 !c101 m-s assign (resid 21 and name hb2 ) (resid 21 and name ha ) 0.0 0.0 3.5 !c102 m-s ! residue CYS22 assign (resid 22 and name ha ) (resid 22 and name hn ) 0.0 0.0 3.5 ! a186 m assign (resid 21 and name ha ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a187 w assign (resid 20 and name ha ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a188 w assign (resid 21 and name hb1 ) (resid 22 and name hn ) 0.0 0.0 6.0 ! a189 w assign (resid 22 and name hb1 ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a192 w assign (resid 22 and name hb2 ) (resid 22 and name hn ) 0.0 0.0 5.0 ! a193 s assign (resid 19 and name ha ) (resid 22 and name hn ) 0.0 0.0 6.0 !a194 vw assign (resid 22 and name hb1 ) (resid 22 and name ha ) 0.0 0.0 5.0 !c16 s? assign (resid 22 and name hb2 ) (resid 22 and name ha ) 0.0 0.0 5.0 !c17 w assign (resid 11 and name hb* ) (resid 22 and name ha ) 0.0 0.0 7.0 !c17 w assign (resid 11 and name ha ) (resid 22 and name hb1 ) 0.0 0.0 6.0 !c17 w assign (resid 11 and name ha ) (resid 22 and name hb2 ) 0.0 0.0 6.0 !c17 w assign (resid 11 and name hb* ) (resid 22 and name hb* ) 0.0 0.0 7.0 !c17 w !Terminal NH2 assign (resid 22 and name ha ) (resid 22 and name h1 ) 0.0 0.0 3.5 !a261 m-w assign (resid 22 and name ha ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a283 m-w assign (resid 21 and name ha ) (resid 22 and name h1 ) 0.0 0.0 6.0 !a262 w assign (resid 21 and name ha ) (resid 22 and name h2 ) 0.0 0.0 6.0 !a284 w assign (resid 20 and name ha ) (resid 22 and name h1 ) 0.0 0.0 6.0 !a263 w assign (resid 20 and name ha ) (resid 22 and name h2 ) 0.0 0.0 6.0 !a285 w assign (resid 19 and name ha ) (resid 22 and name h1 ) 0.0 0.0 6.0 !a264 vw assign (resid 19 and name ha ) (resid 22 and name h2 ) 0.0 0.0 6.0 !a286 vw assign (resid 22 and name hb1 ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a265 w assign (resid 22 and name hb2 ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a287 w assign (resid 22 and name hb2 ) (resid 22 and name h1 ) 0.0 0.0 5.0 !a266 m assign (resid 22 and name hb2 ) (resid 22 and name h2 ) 0.0 0.0 5.0 !a288 m assign (resid 22 and name hn ) (resid 22 and name h1 ) 0.0 0.0 3.5 !b43 m-s assign (resid 22 and name hn ) (resid 22 and name h2 ) 0.0 0.0 3.5 !b44 m-s
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