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 |
|
|
2166 |
1bhi   |
4216 | cing | 1-original | 2 | EMBOSS | distance | NOE | simple |
;CRE-BP1N88(970807)
;#1:NEW, #0:OLD, #2:modify from the cre.dsc_sa21
;#3:PHE18 HE*<->HZ, #4:add NOEs at 970913, #5:INPUT QR>HD*, #6:MAIN CHAIN NOES +0.5
;#7:modify by test.out6, ;#8:modify by 970908,;#9:by 970909,#10:HCCH-TOCSY by 9
;This file is creZn-finger(38a.a.) NOE only
;!1:by dsc1,
;dsc4 is removed HYDGENBOND
;dsc5 !2 and HZ of F18
;original dsc15
;HA(I)-HN(I+1)
1 6 PRO HA 1 7 PHE HN 1.0 1.0 -2.0 3.0 ;2.305,#0
1 7 PHE HA 1 8 LEU HN 1.0 1.0 -2.0 3.0 ;2.453,#0
1 8 LEU HA 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;2.286,#1
1 12 PRO HA 1 13 GLY HN 1.0 1.0 -2.0 4.0 ;2.185,#0;#2
1 13 GLY HA* 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;1.0;2.913,#0
; 1 13 GLY HA1 1 14 CYS HN 1.0 1.0 -2.0 4.0 ;#1
; 1 13 GLY HA2 1 14 CYS HN 1.0 1.0 -2.0 4.0 ;#1
1 14 CYS HA 1 15 GLY HN 1.0 1.0 -2.0 4.0 ;2.541,#0
1 15 GLY HA* 1 16 GLN HN 1.0 1.0 -2.0 6.0 ;1.0;2.572,#1
; 1 15 GLY HA1 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;#1
; 1 15 GLY HA2 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;#1
1 16 GLN HA 1 17 ARG+ HN 1.0 1.0 -2.0 3.0 ;2.484,#0(4.0)
1 17 ARG+ HA 1 18 PHE HN 1.0 1.0 -2.0 3.0 ;2.112,#0
1 18 PHE HA 1 19 THR HN 1.0 1.0 -2.0 3.0 ;2.176,#0(3.0)
1 19 THR HA 1 20 ASN HN 1.0 1.0 -2.0 4.0 ;2.856,#0
1 20 ASN HA 1 21 GLU- HN 1.0 1.0 -2.0 5.0 ;2.341,#2
1 21 GLU- HA 1 22 ASP- HN 1.0 1.0 -2.0 5.0 ;3.565,#0;#2
1 22 ASP- HA 1 23 HIS HN 1.0 1.0 -2.0 5.0 ;3.608,#0;#2
1 23 HIS HA 1 24 LEU HN 1.0 1.0 -2.0 4.0 ;3.529,#0(3.0);#2
1 24 LEU HA 1 25 ALA HN 1.0 1.0 -2.0 4.0 ;3.538,#0(4.0);#2
1 25 ALA HA 1 26 VAL HN 1.0 1.0 -2.0 5.0 ;3.566,#0(5.0);#2
1 26 VAL HA 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;3.620,#0;#2
1 27 HIS HA 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;3.498,#0(5.0);#2
1 28 LYS+ HA 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;3.579,#0;#2
1 29 HIS HA 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;3.568,#0(5.0);#2
1 30 LYS+ HA 1 31 HIS HN 1.0 1.0 -2.0 4.0 ;3.602,#0(5.0);#2
1 31 HIS HA 1 32 GLU- HN 1.0 1.0 -2.0 4.0 ;3.529,#0
1 32 GLU- HA 1 33 MET HN 1.0 1.0 -2.0 4.0 ;2.743,#0(3.0)
1 33 MET HA 1 34 THR HN 1.0 1.0 -2.0 4.0 ;2.137,#0;#2
1 34 THR HA 1 35 LEU HN 1.0 1.0 -2.0 4.0 ;3.594,#0(3.0)
1 35 LEU HA 1 36 LYS+ HN 1.0 1.0 -2.0 4.0 ;2.709,+1.0
1 36 LYS+ HA 1 37 PHE HN 1.0 1.0 -2.0 5.0 ;2.335,#0(3.0)
1 37 PHE HA 1 38 GLY HN 1.0 1.0 -2.0 4.0 ;3.323,#0;#2
;HN(I)-HA(I+1)
1 14 CYS HN 1 15 GLY HA* 1.0 1.0 -2.0 6.0 ;1.0;5.431,#0
1 16 GLN HN 1 17 ARG+ HA 1.0 1.0 -2.0 5.5 ;5.022,#1
1 20 ASN HN 1 21 GLU- HA 1.0 1.0 -2.0 5.0 ;4.605,#2
1 21 GLU- HN 1 22 ASP- HA 1.0 1.0 -2.0 5.5 ;5.009,#0
;NO 1 22 ASP- HN 1 23 HIS HA 1.0 1.0 -2.0 3.5 ;5.750,miss-ass.;#2
;NO 1 23 HIS HN 1 24 LEU HA 1.0 1.0 -2.0 4.5 ;5.250,miss-ass.;#2
1 24 LEU HN 1 25 ALA HA 1.0 1.0 -2.0 5.5 ;5.027,#0(4.0)
1 25 ALA HN 1 26 VAL HA 1.0 1.0 -2.0 5.5 ;5.059,#0
1 26 VAL HN 1 27 HIS HA 1.0 1.0 -2.0 5.5 ;5.063,#0
1 28 LYS+ HN 1 29 HIS HA 1.0 1.0 -2.0 5.5 ;5.067,#0
1 31 HIS HN 1 32 GLU- HA 1.0 1.0 -2.0 5.5 ;5.015,#0(4.0)
1 35 LEU HN 1 36 LYS+ HA 1.0 1.0 -2.0 5.5 ;3.894,#2
;HN(I)-HN(I+1)
1 7 PHE HN 1 8 LEU HN 1.0 1.0 -2.0 5.0 ;4.513,#0(3.0)
1 8 LEU HN 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;4.350,#0
1 13 GLY HN 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;3.527,#0(5.0),+1.0
1 14 CYS HN 1 15 GLY HN 1.0 1.0 -2.0 5.0 ;3.543,#0;#2;1.0,+1.0
1 15 GLY HN 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;4.194,#0;#2;1.0
1 16 GLN HN 1 17 ARG+ HN 1.0 1.0 -2.0 5.0 ;4.459,#0(5.0);#2;1.0
1 17 ARG+ HN 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;4.268,#0
1 18 PHE HN 1 19 THR HN 1.0 1.0 -2.0 5.0 ;4.288,#0
1 19 THR HN 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;3.237,#0(3.0),+1.0
1 20 ASN HN 1 21 GLU- HN 1.0 1.0 -2.0 5.0 ;4.224,#0
1 21 GLU- HN 1 22 ASP- HN 1.0 1.0 -2.0 5.0 ;2.484,#0,+1.0
1 22 ASP- HN 1 23 HIS HN 1.0 1.0 -2.0 4.0 ;3.380,#0;#2;+1.0
1 23 HIS HN 1 24 LEU HN 1.0 1.0 -2.0 4.0 ;2.714,#0;#2;+1.0
1 24 LEU HN 1 25 ALA HN 1.0 1.0 -2.0 4.0 ;2.371,#0;#2;+1.0
1 25 ALA HN 1 26 VAL HN 1.0 1.0 -2.0 4.0 ;2.442,#0;#2;+1.0
1 26 VAL HN 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;2.526,#0,+1.0
1 27 HIS HN 1 28 LYS+ HN 1.0 1.0 -2.0 4.0 ;2.724,#0;#2;+1.0
1 28 LYS+ HN 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;2.457,#0,+1.0
1 29 HIS HN 1 30 LYS+ HN 1.0 1.0 -2.0 4.0 ;2.672,#0;#2;+1.0
1 30 LYS+ HN 1 31 HIS HN 1.0 1.0 -2.0 3.0 ;2.950,#0;#2;+1.0
1 31 HIS HN 1 32 GLU- HN 1.0 1.0 -2.0 4.0 ;2.285,#0;#2;+1.0
1 32 GLU- HN 1 33 MET HN 1.0 1.0 -2.0 5.0 ;3.158,#0,+1.0
1 36 LYS+ HN 1 37 PHE HN 1.0 1.0 -2.0 5.0 ;3.795,#1
;HB(I)-HN(I+1)
1 6 PRO HB* 1 7 PHE HN 1.0 1.0 -2.0 5.0 ;1.0;3.264,#0
; 1 6 PRO HB1 1 7 PHE HN 1.0 1.0 -2.0 4.0 ;#0
; 1 6 PRO HB2 1 7 PHE HN 1.0 1.0 -2.0 4.0 ;#0
1 7 PHE HB* 1 8 LEU HN 1.0 1.0 -2.0 5.0 ;1.0;2.717,#0(4.0);#2;
; 1 7 PHE HB2 1 8 LEU HN 1.0 1.0 -2.0 4.0 ;1.0;#0
; 1 7 PHE HB1 1 8 LEU HN 1.0 1.0 -2.0 3.0 ;1.0;#0
; 1 8 LEU HB* 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;1.0;2.835,#1
1 8 LEU HB1 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;#1
1 8 LEU HB2 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;#1
1 12 PRO HB* 1 13 GLY HN 1.0 1.0 -2.0 5.0 ;1.0;4.008,#2
1 14 CYS HB* 1 15 GLY HN 1.0 1.0 -2.0 6.0 ;1.0;4.557,#0;#2;1.0
; 1 14 CYS HB1 1 15 GLY HN 1.0 1.0 -2.0 5.0 ;#1,OK
; 1 14 CYS HB2 1 15 GLY HN 1.0 1.0 -2.0 4.0 ;#1,OK
1 16 GLN HB* 1 17 ARG+ HN 1.0 1.0 -2.0 4.0 ;1.0;2.433,
; 1 17 ARG+ HB* 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;1.0;4.286,#0(4.0)
1 17 ARG+ HB2 1 18 PHE HN 1.0 1.0 -2.0 4.0 ;#1,+0.5
1 17 ARG+ HB1 1 18 PHE HN 1.0 1.0 -2.0 4.0 ;#1
; 1 18 PHE HB* 1 19 THR HN 1.0 1.0 -2.0 4.0 ;1.0;3.807,
1 18 PHE HB1 1 19 THR HN 1.0 1.0 -2.0 4.0 ;#1
1 18 PHE HB2 1 19 THR HN 1.0 1.0 -2.0 4.0 ;#1,+1.0
1 19 THR HB 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;4.680,#1
1 20 ASN HB* 1 21 GLU- HN 1.0 1.0 -2.0 4.0 ;1.0;3.019,#0;#2;0.5
1 21 GLU- HB* 1 22 ASP- HN 1.0 1.0 -2.0 5.0 ;1.0;2.910,#0(6.0)
1 22 ASP- HB* 1 23 HIS HN 1.0 1.0 -2.0 4.0 ;1.0;2.377,#0;#2
1 23 HIS HB* 1 24 LEU HN 1.0 1.0 -2.0 5.0 ;1.0;3.638,#0(6.0)
; 1 24 LEU HB* 1 25 ALA HN 1.0 1.0 -2.0 5.0 ;1.0;4.054,#0
1 24 LEU HB1 1 25 ALA HN 1.0 1.0 -2.0 4.0 ;1.0;4.054,#0
1 24 LEU HB2 1 25 ALA HN 1.0 1.0 -2.0 3.0 ;1.0;4.054,#0
1 25 ALA HB* 1 26 VAL HN 1.0 1.0 -2.0 4.0 ;1.5;3.274,#0;#2
1 26 VAL HB 1 27 HIS HN 1.0 1.0 -2.0 4.0 ;2.610,#0;#2,+1.0
1 27 HIS HB* 1 28 LYS+ HN 1.0 1.0 -2.0 4.0 ;1.0;3.555,#0;#2
1 28 LYS+ HB* 1 29 HIS HN 1.0 1.0 -2.0 4.0 ;1.0;2.793,#0;#2
; 1 29 HIS HB* 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;1.0;2.969,#0
1 29 HIS HB2 1 30 LYS+ HN 1.0 1.0 -2.0 3.0 ;#1
1 29 HIS HB1 1 30 LYS+ HN 1.0 1.0 -2.0 4.0 ;#1
1 30 LYS+ HB* 1 31 HIS HN 1.0 1.0 -2.0 4.0 ;1.0;3.282,#0;#2
; 1 31 HIS HB* 1 32 GLU- HN 1.0 1.0 -2.0 4.0 ;1.0;3.124,#0;#2
1 31 HIS HB1 1 32 GLU- HN 1.0 1.0 -2.0 3.0 ;1.0;3.124,#0;#2
1 31 HIS HB2 1 32 GLU- HN 1.0 1.0 -2.0 4.0 ;1.0;3.124,#0;#2
1 32 GLU- HB* 1 33 MET HN 1.0 1.0 -2.0 6.0 ;1.0?OVERLAP;4.459
1 33 MET HB* 1 34 THR HN 1.0 1.0 -2.0 5.0 ;1.0;4.006,#0,+1.0
1 36 LYS+ HB* 1 37 PHE HN 1.0 1.0 -2.0 5.0 ;1.0;4.369,#0(4.0)
1 37 PHE HB* 1 38 GLY HN 1.0 1.0 -2.0 5.0 ;1.0;4.460,#0(4.0)
; 1 37 PHE HB1 1 38 GLY HN 1.0 1.0 -2.0 3.0 ;#1
; 1 37 PHE HB2 1 38 GLY HN 1.0 1.0 -2.0 3.0 ;#1
;HN(I)-HB(I+1)
1 15 GLY HN 1 16 GLN HB* 1.0 1.0 -2.0 6.5 ;1.0;6.002,#0(4.0);#2;10.5
1 23 HIS HN 1 24 LEU HB2 1.0 1.0 -2.0 5.0 ;1.0;5.179,#0(5.0)
; 1 23 HIS HN 1 24 LEU HB* 1.0 1.0 -2.0 6.0 ;1.0;5.179,#0(5.0)
1 26 VAL HN 1 27 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0;5.052,#0(5.0)
1 28 LYS+ HN 1 29 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0;5.103,#1
; 1 28 LYS+ HN 1 29 HIS HB1 1.0 1.0 -2.0 5.0 ;#1
1 29 HIS HN 1 30 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0;4.927,#1
1 31 HIS HN 1 32 GLU- HB* 1.0 1.0 -2.0 6.0 ;1.0;4.355,
1 34 THR HN 1 35 LEU HB* 1.0 1.0 -2.0 6.0 ;1.0;5.377,
1 35 LEU HN 1 36 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0;4.499,
;HG(I)-HN(I+1)
1 12 PRO HG* 1 13 GLY HN 1.0 1.0 -2.0 6.0 ;1.0;5.418,#0
; 1 12 PRO HG1 1 13 GLY HN 1.0 1.0 -2.0 4.0 ;#1
; 1 12 PRO HG2 1 13 GLY HN 1.0 1.0 -2.0 4.0 ;#1
1 16 GLN HG* 1 17 ARG+ HN 1.0 1.0 -2.0 5.0 ;1.0;4.651,#0
; 1 16 GLN HG1 1 17 ARG+ HN 1.0 1.0 -2.0 4.0 ;#1
; 1 16 GLN HG2 1 17 ARG+ HN 1.0 1.0 -2.0 4.0 ;#1
1 17 ARG+ HG* 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;1.0;3.841,#0(6.0)
; 1 17 ARG+ HG1 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;#1
; 1 17 ARG+ HG2 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;#1
1 19 THR HG2* 1 20 ASN HN 1.0 1.0 -2.0 5.5 ;1.5;4.743,#0
1 21 GLU- HG* 1 22 ASP- HN 1.0 1.0 -2.0 6.0 ;1.0;4.268,#0
1 24 LEU HG 1 25 ALA HN 1.0 1.0 -2.0 5.0 ;2.768,#0,+1.0
; 1 26 VAL HG* 1 27 HIS HN 1.0 1.0 -2.0 6.9 ;3.9;4.266,#0
1 26 VAL HG2* 1 27 HIS HN 1.0 1.0 -2.0 4.5 ;1.5;#1
1 26 VAL HG1* 1 27 HIS HN 1.0 1.0 -2.0 5.5 ;1.5;#1
1 28 LYS+ HG* 1 29 HIS HN 1.0 1.0 -2.0 6.0 ;1.0;4.133,#0
1 30 LYS+ HG* 1 31 HIS HN 1.0 1.0 -2.0 6.0 ;1.0;4.585,#0
1 33 MET HG* 1 34 THR HN 1.0 1.0 -2.0 6.0 ;1.0;2.723,#0
1 34 THR HG2* 1 35 LEU HN 1.0 1.0 -2.0 5.5 ;1.5;2.339,#0
1 36 LYS+ HG* 1 37 PHE HN 1.0 1.0 -2.0 6.0 ;1.0;5.499,#0
;HN(I)-HG(I+1)
1 15 GLY HN 1 16 GLN HG* 1.0 1.0 -2.0 6.0 ;1.0;4.319,#0
; 1 15 GLY HN 1 16 GLN HG1 1.0 1.0 -2.0 5.0 ;#1
; 1 15 GLY HN 1 16 GLN HG2 1.0 1.0 -2.0 5.0 ;#1
; 1 31 HIS HN 1 32 GLU- HG* 1.0 1.0 -2.0 6.0 ;
1 33 MET HN 1 34 THR HG2* 1.0 1.0 -2.0 7.0 ;1.0;6.220,#2;1.0
;HD(I)-HN(I+1)
1 8 LEU HD* 1 9 CYS HN 1.0 1.0 -2.0 6.9 ;3.9;5.109,#1
; 1 8 LEU HD1* 1 9 CYS HN 1.0 1.0 -2.0 4.5 ;1.5;#1
; 1 8 LEU HD2* 1 9 CYS HN 1.0 1.0 -2.0 4.5 ;1.5;#1
1 6 PRO HD* 1 7 PHE HN 1.0 1.0 -2.0 6.0 ;1.0;5.596,#1
1 17 ARG+ HD* 1 18 PHE HN 1.0 1.0 -2.0 6.0 ;1.0;2.693,#0
; 1 17 ARG+ HD1 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;#1
; 1 17 ARG+ HD2 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;#1
; 1 24 LEU HD* 1 25 ALA HN 1.0 1.0 -2.0 7.9 ;3.9;4.402,#0
1 24 LEU HD1* 1 25 ALA HN 1.0 1.0 -2.0 6.0 ;1.5;#1
1 24 LEU HD2* 1 25 ALA HN 1.0 1.0 -2.0 6.5 ;1.5;#1
1 35 LEU HD* 1 36 LYS+ HN 1.0 1.0 -2.0 7.9 ;3.9;5.919,#0
1 36 LYS+ HD* 1 37 PHE HN 1.0 1.0 -2.0 6.0 ;1.0;4.938,#0
;HN(I)-HD(I+1)
1 7 PHE HN 1 8 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9;6.599,#1
1 11 ALA HN 1 12 PRO HD* 1.0 1.0 -2.0 6.0 ;1.0;5.037,#1;#2;1.0
; 1 11 ALA HN 1 12 PRO HD1 1.0 1.0 -2.0 4.0 ;#1
; 1 11 ALA HN 1 12 PRO HD2 1.0 1.0 -2.0 4.0 ;#1
;NO 1 23 HIS HN 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9;7.024,#0
;NO 1 23 HIS HN 1 24 LEU HD* 1.0 1.0 -2.0 6.5 ;1.5;#1
;HA(I)-HN(I+2)
1 12 PRO HA 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;4.287,#0(4.0)
1 14 CYS HA 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;4.783,#0(5.0);#2;1.0
;NO 1 17 ARG+ HA 1 19 THR HN 1.0 1.0 -2.0 5.5 ;6.006,#1
1 18 PHE HA 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;3.943,#0
1 23 HIS HA 1 25 ALA HN 1.0 1.0 -2.0 5.0 ;3.999,#0
1 24 LEU HA 1 26 VAL HN 1.0 1.0 -2.0 5.0 ;4.093,
1 25 ALA HA 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;4.532,#0
1 26 VAL HA 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;4.216,#0
1 27 HIS HA 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;4.214,#1
;HN(I)-HN(I+2)
;NO 1 13 GLY HN 1 15 GLY HN 1.0 1.0 -2.0 5.0 ;4.403,#1
;? 1 18 PHE HN 1 28 LYS+ HN 1.0 1.0 -2.0 5.5
;NO 1 18 PHE HN 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;4.509,#1
1 21 GLU- HN 1 23 HIS HN 1.0 1.0 -2.0 5.0 ;4.981,#0
1 22 ASP- HN 1 24 LEU HN 1.0 1.0 -2.0 5.0 ;4.250,#1
1 24 LEU HN 1 26 VAL HN 1.0 1.0 -2.0 5.0 ;3.808,#0
1 25 ALA HN 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;4.015,#0
1 26 VAL HN 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;3.799,#0
1 28 LYS+ HN 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;3.752,#0
1 29 HIS HN 1 31 HIS HN 1.0 1.0 -2.0 5.0 ;4.382,#0
1 31 HIS HN 1 33 MET HN 1.0 1.0 -2.0 5.0 ;4.686,#0
;HB(I)-HN(I+2)
1 12 PRO HB* 1 14 CYS HN 1.0 1.0 -2.0 6.0 ;1.0;5.022,#0(6.0)
; 1 14 CYS HB* 1 16 GLN HN 1.0 1.0 -2.0 6.0 ;1.0;5.636,#1(5.0)
1 14 CYS HB2 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;1.0;#1,OK
; 1 18 PHE HB* 1 20 ASN HN 1.0 1.0 -2.0 4.0 ;1.0;3.206,#0(4.0)
1 18 PHE HB2 1 20 ASN HN 1.0 1.0 -2.0 4.0 ;#1
1 20 ASN HB* 1 22 ASP- HN 1.0 1.0 -2.0 6.0 ;1.0;2.765,#0
1 22 ASP- HB* 1 24 LEU HN 1.0 1.0 -2.0 5.0 ;1.0;4.846,#0(6.0)
1 25 ALA HB* 1 27 HIS HN 1.0 1.0 -2.0 6.5 ;1.5;5.580,#2;1.0
; 1 31 HIS HB* 1 33 MET HN 1.0 1.0 -2.0 6.0 ;1.0;5.148,#1
1 31 HIS HB1 1 33 MET HN 1.0 1.0 -2.0 5.0 ;#1;HB1>HB2
1 33 MET HB* 1 35 LEU HN 1.0 1.0 -2.0 6.0 ;1.0;5.999,#0
1 36 LYS+ HB* 1 38 GLY HN 1.0 1.0 -2.0 6.0 ;1.0;3.612,
;HN(I)-HB(I+2)
1 23 HIS HN 1 25 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5;6.060,#1
;HG(I)-HN(I+2)
1 12 PRO HG* 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;1.0;4.825,#0(6.0)
; 1 26 VAL HG* 1 28 LYS+ HN 1.0 1.0 -2.0 6.9 ;3.9;6.111,#0
1 26 VAL HG2* 1 28 LYS+ HN 1.0 1.0 -2.0 5.5 ;1.5;#1
1 36 LYS+ HG* 1 38 GLY HN 1.0 1.0 -2.0 6.0 ;1.0;5.715,
;HD(I)-HN(I+2)
1 12 PRO HD* 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;1.0;ADD1
1 17 ARG+ HD* 1 19 THR HN 1.0 1.0 -2.0 5.0 ;1.0;4.728,
;HA(I)-HN(I+3)
1 23 HIS HA 1 26 VAL HN 1.0 1.0 -2.0 5.0 ;2.996,+1.0
1 24 LEU HA 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;3.154,#2;+1.0
1 25 ALA HA 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;3.201,
1 26 VAL HA 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;3.593,#0(5.0)
1 27 HIS HA 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;2.743,#1
1 28 LYS+ HA 1 31 HIS HN 1.0 1.0 -2.0 5.0 ;3.726,#0
1 29 HIS HA 1 32 GLU- HN 1.0 1.0 -2.0 5.0 ;3.349,+1.0
;HN(I)-HA(I+3)
; 1 11 ALA HN 1 14 CYS HA 1.0 1.0 -2.0 5.5 ;5.048,
;HN(I)-HN(I+3)
1 11 ALA HN 1 14 CYS HN 1.0 1.0 -2.0 5.0 ;4.635,#0(4.0)
1 20 ASN HN 1 23 HIS HN 1.0 1.0 -2.0 5.5 ;5.012,#1
1 21 GLU- HN 1 24 LEU HN 1.0 1.0 -2.0 5.5 ;5.178,#1
1 24 LEU HN 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;4.587,#0
1 25 ALA HN 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;4.486,#0
1 28 LYS+ HN 1 31 HIS HN 1.0 1.0 -2.0 5.0 ;4.924,#1
;HB(I)-HN(I+3)
1 11 ALA HB* 1 14 CYS HN 1.0 1.0 -2.0 4.5 ;1.5;3.570,#0
1 20 ASN HB* 1 23 HIS HN 1.0 1.0 -2.0 5.0 ;1.0;3.856,#0(5.0)
1 22 ASP- HB* 1 25 ALA HN 1.0 1.0 -2.0 6.0 ;1.0;5.640,#1,+1.0
1 25 ALA HB* 1 28 LYS+ HN 1.0 1.0 -2.0 6.5 ;1.5;5.292,
1 27 HIS HB* 1 30 LYS+ HN 1.0 1.0 -2.0 6.0 ;1.0;5.013,#1
; 1 27 HIS HB1 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;#1
1 33 MET HB* 1 36 LYS+ HN 1.0 1.0 -2.0 6.0 ;1.0;4.877,#0
;HN(I)-HB(I+3)
; 1 11 ALA HN 1 14 CYS HB* 1.0 1.0 -2.0 5.0 ;1.0;4.664,#0
;NO 1 11 ALA HN 1 14 CYS HB1 1.0 1.0 -2.0 5.0 ;1.0;#1,OK
1 11 ALA HN 1 14 CYS HB2 1.0 1.0 -2.0 5.0 ;1.0;#1,OK
1 30 LYS+ HN 1 33 MET HB* 1.0 1.0 -2.0 6.0 ;1.0;5.067,#1
; 1 30 LYS+ HN 1 33 MET HB2 1.0 1.0 -2.0 5.0 ;#1
;HG(I)-HN(I+3)
;NO 1 24 LEU HG 1 27 HIS HN 1.0 1.0 -2.0 4.0 ;5.889,#1,+1.0
; 1 26 VAL HG* 1 29 HIS HN 1.0 1.0 -2.0 8.9 ;3.9;6.021,#0
1 26 VAL HG2* 1 29 HIS HN 1.0 1.0 -2.0 6.5 ;1.5;#1
;HN(I)-HG(I+3)
;NO 1 30 LYS+ HN 1 33 MET HG* 1.0 1.0 -2.0 6.0 ;1.0;6.827,#1
;HA(I)-HN(I+4)
1 23 HIS HA 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;3.928,#0
1 24 LEU HA 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;4.030,#0(4.0)
1 25 ALA HA 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;4.069,#0
1 26 VAL HA 1 30 LYS+ HN 1.0 1.0 -2.0 5.0 ;4.246,#1
;HN(I)-HA(I+4)
1 11 ALA HN 1 15 GLY HA* 1.0 1.0 -2.0 5.0 ;1.0;2.714,
;HN(I)-HN(I+4)
; 1 24 LEU HN 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ;5.834,#1,!1
;HB(I)-HN(I+4)
1 11 ALA HB* 1 15 GLY HN 1.0 1.0 -2.0 5.5 ;1.5;5.016,#0;#2;0.5
; 1 20 ASN HB* 1 24 LEU HN 1.0 1.0 -2.0 5.5 ;1.0;5.509,#0;#2;0.5
1 20 ASN HB1 1 24 LEU HN 1.0 1.0 -2.0 5.0 ;1.0;ADD
1 22 ASP- HB* 1 26 VAL HN 1.0 1.0 -2.0 6.5 ;1.0;6.027,#0;#2;0.5
;HG(I)-HN(I+4)
1 24 LEU HG 1 28 LYS+ HN 1.0 1.0 -2.0 4.0 ;5.700,#1
1 26 VAL HG* 1 30 LYS+ HN 1.0 1.0 -2.0 8.9 ;3.9;5.335,
;OTHERS(HN-HA,HA-HN)
1 7 PHE HN 1 17 ARG+ HA 1.0 1.0 -2.0 5.0 ;5.025,#0
1 7 PHE HA 1 18 PHE HN 1.0 1.0 -2.0 5.0 ;4.783,#0
;NO 1 7 PHE HA 1 20 ASN HN 1.0 1.0 -2.0 4.5 ;5.778,#1
1 8 LEU HN 1 17 ARG+ HA 1.0 1.0 -2.0 5.0 ;4.708,#0
1 9 CYS HN 1 17 ARG+ HA 1.0 1.0 -2.0 4.0 ;3.519,#0;#2;1.0
1 9 CYS HN 1 16 GLN HA 1.0 1.0 -2.0 5.0 ;4.661,#1
;NO 1 18 PHE HA 1 23 HIS HN 1.0 1.0 -2.0 5.5 ;5.406,#1
;NO 1 18 PHE HA 1 26 VAL HN 1.0 1.0 -2.0 5.5 ;8.413,#1(8.41A)
;OTHERS(HN-HN)
1 7 PHE HN 1 18 PHE HN 1.0 1.0 -2.0 4.0 ;3.354,#0
1 9 CYS HN 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;3.109,#0
1 9 CYS HN 1 17 ARG+ HN 1.0 1.0 -2.0 5.0 ;ADD
;OTHERS(HN-HB,HB-HN)
1 8 LEU HD* 1 16 GLN HN 1.0 1.0 -2.0 7.9 ;3.9;6.425,#8
1 8 LEU HD* 1 17 ARG+ HN 1.0 1.0 -2.0 7.9 ;3.9;7.901,#8
1 8 LEU HD* 1 18 PHE HN 1.0 1.0 -2.0 8.9 ;3.9;6.546,#8
1 11 ALA HB* 1 16 GLN HN 1.0 1.0 -2.0 5.5 ;1.5;ADD
;NO 1 11 ALA HB* 1 17 ARG+ HN 1.0 1.0 -2.0 5.5 ;1.5;9.300,
;NO 1 11 ALA HB* 1 18 PHE HN 1.0 1.0 -2.0 6.5 ;1.5;NO
1 7 PHE HB* 1 18 PHE HN 1.0 1.0 -2.0 6.0 ;1.0;3.732,
;NO 1 7 PHE HB* 1 19 THR HN 1.0 1.0 -2.0 6.0 ;1.0;6.046,#1
;NO 1 7 PHE HB1 1 19 THR HN 1.0 1.0 -2.0 5.0 ;#1
; 1 7 PHE HB* 1 20 ASN HN 1.0 1.0 -2.0 6.0 ;1.0;3.757,#1
1 7 PHE HB1 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;#1
1 7 PHE HB* 1 24 LEU HN 1.0 1.0 -2.0 6.0 ;1.0;5.438,#1
; 1 7 PHE HN 1 18 PHE HB* 1.0 1.0 -2.0 6.0 ;1.0;4.264,#0
;NO 1 7 PHE HN 1 18 PHE HB2 1.0 1.0 -2.0 5.0 ;#1,+1.0
1 7 PHE HN 1 18 PHE HB1 1.0 1.0 -2.0 5.0 ;#1
;#9 1 7 PHE HN 1 26 VAL HB 1.0 1.0 -2.0 4.0 ;NO#0,#8
; 1 9 CYS HB* 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;1.0;3.660,#1,+1.0
1 9 CYS HB1 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;#1,+2.0
1 9 CYS HB2 1 16 GLN HN 1.0 1.0 -2.0 4.0 ;#1,+1.0
;NO 1 9 CYS HB* 1 17 ARG+ HN 1.0 1.0 -2.0 6.0 ;1.0;6.140,#1
1 18 PHE HB* 1 23 HIS HN 1.0 1.0 -2.0 6.0 ;1.0;3.824,#1
1 18 PHE HB* 1 24 LEU HN 1.0 1.0 -2.0 5.0 ;1.0;3.282,#1
;NO 1 7 PHE HN 1 17 ARG+ HB* 1.0 1.0 -2.0 5.0 ;1.0;6.864,#0
;OTHERS(SIDE CHAINS:NH2)
1 16 GLN HE2* 1 16 GLN HA 1.0 1.0 -2.0 6.0 ;1.0;NO
1 16 GLN HE2* 1 16 GLN HB* 1.0 1.0 -2.0 6.0 ;1.0;NO,1.0
1 16 GLN HE2* 1 16 GLN HG* 1.0 1.0 -2.0 5.0 ;1.0;NO,1.0
1 20 ASN HD2* 1 19 THR HG2* 1.0 1.0 -2.0 7.5 ;1.0;4.575,1.5
1 20 ASN HD2* 1 20 ASN HA 1.0 1.0 -2.0 6.0 ;1.0;NO
1 20 ASN HD2* 1 20 ASN HB* 1.0 1.0 -2.0 5.0 ;1.0;NO,1.0
1 20 ASN HD2* 1 21 GLU- HN 1.0 1.0 -2.0 6.0 ;1.0;4.554,#1
1 20 ASN HD2* 1 22 ASP- HN 1.0 1.0 -2.0 5.0 ;1.0;4.252,#0(6.0)
1 20 ASN HD2* 1 23 HIS HN 1.0 1.0 -2.0 6.0 ;1.0;2.570,#1
;OTHERS(SIDE CHAINS:AROMATIC RING)
1 27 HIS HE1 1 18 PHE HZ 1.0 1.0 -2.0 5.0 ;
1 27 HIS HE1 1 18 PHE HE* 1.0 1.0 -2.0 7.0 ;2.0
1 27 HIS HE1 1 16 GLN HE2* 1.0 1.0 -2.0 6.0 ;1.0|6.84(6.86)
1 27 HIS HE1 1 16 GLN HB* 1.0 1.0 -2.0 5.0 ;1.0|1.53
1 27 HIS HE1 1 16 GLN HG* 1.0 1.0 -2.0 6.0 ;1.0|2.22
;NO 1 27 HIS HE1 1 15 GLY HA* 1.0 1.0 -2.0 6.0 ;1.0|3.95
;;;;;
1 27 HIS HD2 1 18 PHE HZ 1.0 1.0 -2.0 5.0 ; |6.03
1 27 HIS HD2 1 31 HIS HD2 1.0 1.0 -2.0 4.0 ; |6.50
1 27 HIS HD2 1 18 PHE HE* 1.0 1.0 -2.0 7.0 ;2.0|6.76
1 27 HIS HD2 1 18 PHE HD* 1.0 1.0 -2.0 7.0 ; |7.15
1 27 HIS HD2 1 27 HIS HN 1.0 1.0 -2.0 5.0 ; |7.42
1 27 HIS HD2 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ; |8.63
1 27 HIS HD2 1 9 CYS HN 1.0 1.0 -2.0 5.0 ; |8.85
1 27 HIS HD2 1 26 VAL HG* 1.0 1.0 -2.0 7.9 ;3.9|0.93
1 27 HIS HD2 1 28 LYS+ HG* 1.0 1.0 -2.0 6.0 ;1.0|1.62
1 27 HIS HD2 1 28 LYS+ HD* 1.0 1.0 -2.0 6.0 ;1.0|1.72
1 27 HIS HD2 1 9 CYS HB1 1.0 1.0 -2.0 5.0 ;|2.80
1 27 HIS HD2 1 9 CYS HB2 1.0 1.0 -2.0 5.0 ;|3.29
;NO 1 27 HIS HD2 1 18 PHE HB2 1.0 1.0 -2.0 5.0 ; |3.42
1 27 HIS HD2 1 9 CYS HA 1.0 1.0 -2.0 5.0 ; |4.49
1 27 HIS HD2 1 28 LYS+ HA 1.0 1.0 -2.0 4.0 ; |3.80
;;;;;
;NO 1 31 HIS HE1 1 15 GLY HN 1.0 1.0 -2.0 5.0 ; |8.63
; 1 31 HIS HE1 1 14 CYS HB1 1.0 1.0 -2.0 3.0 ; |8.63
; 1 31 HIS HE1 1 14 CYS HB2 1.0 1.0 -2.0 4.0 ; |8.63
1 31 HIS HE1 1 11 ALA HB* 1.0 1.0 -2.0 5.5 ; |8.63
;;;;;
1 31 HIS HD2 1 31 HIS HN 1.0 1.0 -2.0 5.0 ; |7.21
;NO 1 31 HIS HD2 1 26 VAL HN 1.0 1.0 -2.0 5.0 ; |7.58
1 31 HIS HD2 1 28 LYS+ HA 1.0 1.0 -2.0 3.0 ; OR3.0
1 31 HIS HD2 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ; |8.63
1 31 HIS HD2 1 28 LYS+ HG* 1.0 1.0 -2.0 6.0 ;1.0,ADD 1 31 HIS HD2 1 28 LYS+ HD* 1.0 1.0 -2.0 6.0 ;1.0 OR5.0
1 31 HIS HD2 1 28 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0 OR5.0
1 31 HIS HD2 1 27 HIS HB2 1.0 1.0 -2.0 5.0 ; |2.72
1 31 HIS HD2 1 9 CYS HB* 1.0 1.0 -2.0 6.0 ;1.0|2.80
1 31 HIS HD2 1 24 LEU HG 1.0 1.0 -2.0 6.0 ;3.9|0.93
1 31 HIS HD2 1 11 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5|0.71
;;;;;
1 23 HIS HE1 1 20 ASN HD2* 1.0 1.0 -2.0 6.0 ;1.0
;;;;;
1 18 PHE HZ 1 16 GLN HE2* 1.0 1.0 -2.0 6.0 ;1.0|7.41
1 18 PHE HZ 1 17 ARG+ HN 1.0 1.0 -2.0 5.0 ; |7.62
;NO 1 18 PHE HZ 1 28 LYS+ HN 1.0 1.0 -2.0 5.0 ; |8.63
1 18 PHE HZ 1 16 GLN HN 1.0 1.0 -2.0 5.0 ; |8.01
1 18 PHE HZ 1 26 VAL HG2* 1.0 1.0 -2.0 6.5 ;1.5|0.93
;NO 1 18 PHE HZ 1 17 ARG+ HG* 1.0 1.0 -2.0 5.0 ;1.0|1.56,+2.0
1 18 PHE HZ 1 16 GLN HB* 1.0 1.0 -2.0 4.0 ;1.0
1 18 PHE HZ 1 16 GLN HG* 1.0 1.0 -2.0 6.0 ;1.0|2.22
; 1 18 PHE HZ 1 16 GLN HG* 1.0 1.0 -2.0 6.0 ;1.0|
1 18 PHE HZ 1 27 HIS HB1 1.0 1.0 -2.0 4.0 ;
1 18 PHE HZ 1 27 HIS HB2 1.0 1.0 -2.0 4.0 ;
;;;;;
1 18 PHE HE* 1 16 GLN HE2* 1.0 1.0 -2.0 8.0 ;2.0,1.0|7.41
1 18 PHE HE* 1 16 GLN HN 1.0 1.0 -2.0 7.0 ;2.0|8.01
;NO 1 18 PHE HE* 1 9 CYS HN 1.0 1.0 -2.0 6.0 ;2.0|8.85
1 18 PHE HE* 1 17 ARG+ HN 1.0 1.0 -2.0 7.0 ;2.0|7.62
1 18 PHE HE* 1 26 VAL HG* 1.0 1.0 -2.0 8.9 ;2.0,3.9
;NO 1 18 PHE HE* 1 17 ARG+ HG* 1.0 1.0 -2.0 6.0 ;2.0,1.0
1 18 PHE HE* 1 16 GLN HB* 1.0 1.0 -2.0 5.0 ;2.0,1.0
1 18 PHE HE* 1 9 CYS HA 1.0 1.0 -2.0 7.0 ;2.0
1 18 PHE HE* 1 17 ARG+ HA 1.0 1.0 -2.0 7.0 ;2.0
1 18 PHE HE* 1 16 GLN HA 1.0 1.0 -2.0 7.0 ;2.0
1 18 PHE HE* 1 27 HIS HB* 1.0 1.0 -2.0 7.0 ;2.0,1.0
1 18 PHE HE* 1 9 CYS HB1 1.0 1.0 -2.0 6.0 ;2.0 OR7.0
1 18 PHE HE* 1 9 CYS HB2 1.0 1.0 -2.0 6.0 ;2.0 OR7.0
1 18 PHE HE* 1 16 GLN HG* 1.0 1.0 -2.0 8.0 ;2.0,1.0|2.22
1 18 PHE HE* 1 24 LEU HG 1.0 1.0 -2.0 5.0 ;2.0,3.9
;;;;;
1 18 PHE HD* 1 16 GLN HN 1.0 1.0 -2.0 7.0 ;2.0|8.01
1 18 PHE HD* 1 17 ARG+ HN 1.0 1.0 -2.0 7.0 ;2.0|7.62
1 18 PHE HD* 1 19 THR HN 1.0 1.0 -2.0 7.0 ;2.0|9.50
1 18 PHE HD* 1 17 ARG+ HA 1.0 1.0 -2.0 4.0 ;1.0
1 18 PHE HD* 1 23 HIS HB1 1.0 1.0 -2.0 6.0 ;2.0
1 18 PHE HD* 1 23 HIS HB2 1.0 1.0 -2.0 6.0 ;2.0
1 18 PHE HD* 1 9 CYS HA 1.0 1.0 -2.0 7.0 ;2.0
1 18 PHE HD* 1 23 HIS HA 1.0 1.0 -2.0 7.0 ;2.0
1 18 PHE HD* 1 24 LEU HD2* 1.0 1.0 -2.0 8.5 ;1.5,2.0
1 18 PHE HD* 1 24 LEU HB* 1.0 1.0 -2.0 7.0 ;2.0,1.0
;NO 1 18 PHE HD* 1 24 LEU HB1 1.0 1.0 -2.0 6.0 ;2.0,1.0
1 18 PHE HD* 1 24 LEU HG 1.0 1.0 -2.0 5.0 ;2.0
1 18 PHE HD* 1 17 ARG+ HG* 1.0 1.0 -2.0 7.0 ;2.0,1.0
1 18 PHE HD* 1 17 ARG+ HB2 1.0 1.0 -2.0 6.0 ;2.0|1.35
1 18 PHE HD* 1 17 ARG+ HB1 1.0 1.0 -2.0 7.0 ;2.0|1.79
;;;;;
1 7 PHE HE* 1 21 GLU- HN 1.0 1.0 -2.0 5.0 ;2.0
1 7 PHE HE* 1 22 ASP- HN 1.0 1.0 -2.0 7.0 ;2.0|8.18
1 7 PHE HE* 1 7 PHE HN 1.0 1.0 -2.0 7.0 ;2.0|7.79
1 7 PHE HE* 1 24 LEU HD2* 1.0 1.0 -2.0 7.5 ;2.0,1.5|1.00
1 7 PHE HE* 1 6 PRO HB* 1.0 1.0 -2.0 8.0 ;2.0,1.0|1.29
1 7 PHE HE* 1 21 GLU- HB2 1.0 1.0 -2.0 5.0 ;2.0 |1.53
1 7 PHE HE* 1 21 GLU- HB1 1.0 1.0 -2.0 7.0 ;2.0 |1.62
;NO 1 7 PHE HE* 1 17 ARG+ HB* 1.0 1.0 -2.0 6.0 ;2.0,1.0|1.78
1 7 PHE HE* 1 21 GLU- HG* 1.0 1.0 -2.0 7.0 ;2.0,1.0|1.92
1 7 PHE HE* 1 21 GLU- HA 1.0 1.0 -2.0 7.0 ;2.0|3.10
;;;;;
1 7 PHE HD* 1 7 PHE HN 1.0 1.0 -2.0 5.0 ;2.0
1 7 PHE HD* 1 21 GLU- HN 1.0 1.0 -2.0 7.0 ;2.0
1 7 PHE HD* 1 18 PHE HN 1.0 1.0 -2.0 7.0 ;2.0
1 7 PHE HD* 1 8 LEU HN 1.0 1.0 -2.0 6.0 ;2.0|8.26
1 7 PHE HD* 1 19 THR HA 1.0 1.0 -2.0 7.0 ;2.0|4.47
1 7 PHE HD* 1 6 PRO HA 1.0 1.0 -2.0 7.0 ;2.0|4.23
;NO 1 7 PHE HD* 1 6 PRO HG* 1.0 1.0 -2.0 8.0 ;2.0,1.0|3.68
;NO 1 7 PHE HD* 1 6 PRO HG* 1.0 1.0 -2.0 7.0 ;2.0,1.0|3.58
1 7 PHE HD* 1 18 PHE HB2 1.0 1.0 -2.0 7.0 ;2.0 |3.42
1 7 PHE HD* 1 21 GLU- HA 1.0 1.0 -2.0 6.0 ;2.0|3.10
1 7 PHE HD* 1 21 GLU- HG* 1.0 1.0 -2.0 8.0 ;2.0,1.0|1.92
1 7 PHE HD* 1 17 ARG+ HG* 1.0 1.0 -2.0 6.0 ;2.0,1.0|1.55
;NO 1 7 PHE HD* 1 16 GLN HB* 1.0 1.0 -2.0 8.0 ;2.0,1.0|1.55
1 7 PHE HD* 1 6 PRO HB* 1.0 1.0 -2.0 7.0 ;2.0,1.0|1.30
1 7 PHE HD* 1 24 LEU HG 1.0 1.0 -2.0 7.0 ;2.0|1.17
1 7 PHE HD* 1 24 LEU HD2* 1.0 1.0 -2.0 8.5 ;2.0,1.5|1.00
1 7 PHE HD* 1 24 LEU HB1 1.0 1.0 -2.0 8.5 ;2.0,1.5|1.00
;;;;;
;
;
;
;
;
;
1 7 PHE HN 1 17 ARG+ HD* 1.0 1.0 -2.0 6.0 ;1.0;3.860,#0
;;; 1 7 PHE HN 1 17 ARG+ HD1 1.0 1.0 -2.0 5.0 ;#0
;;; 1 7 PHE HN 1 17 ARG+ HD2 1.0 1.0 -2.0 5.0 ;#0
;;; 1 7 PHE HZ 1 7 PHE HN 1.0 1.0 -2.0 5.0 ;#0
1 7 PHE HZ 1 21 GLU- HN 1.0 1.0 -2.0 4.0 ;ADD
;OVERLAP OF HE*
;NO 1 16 GLN HG* 1 9 CYS HN 1.0 1.0 -2.0 6.0 ;1.0;6.308,#1
1 18 PHE HE* 1 9 CYS HN 1.0 1.0 -2.0 7.0 ;2.0;4.651,#0(6.0);#3,8 ;1
;NO 1 18 PHE HZ 1 9 CYS HN 1.0 1.0 -2.0 5.0 ;4.146,#1,8 ;2
1 18 PHE HD* 1 9 CYS HN 1.0 1.0 -2.0 7.0 ;2.0;3.014,#0;#3;#a+1.0 ;3
;NO 1 18 PHE HD* 1 11 ALA HN 1.0 1.0 -2.0 7.0 ;2.0;7.052,#1;#3 ;4
;NO 1 27 HIS HD2 1 16 GLN HN 1.0 1.0 -2.0 5.0 ;5.936,#1
1 18 PHE HD* 1 18 PHE HN 1.0 1.0 -2.0 5.5 ;2.0;NO,#8 ;10
1 18 PHE HE* 1 18 PHE HN 1.0 1.0 -2.0 8.0 ;2.0 ;NO,+1.0 ;11
1 18 PHE HE* 1 19 THR HN 1.0 1.0 -2.0 8.0 ;2.0;8.102,+1.0 ;12
;NO 1 17 ARG+ HD* 1 20 ASN HN 1.0 1.0 -2.0 5.0 ;1.0;5.856,#1
;NO 1 18 PHE HZ 1 27 HIS HN 1.0 1.0 -2.0 5.0 ;5.909,#0 ;13
1 18 PHE HD* 1 27 HIS HN 1.0 1.0 -2.0 7.5 ;2.0;5.402,#0,3,8 ;14
1 18 PHE HD* 1 28 LYS+ HN 1.0 1.0 -2.0 7.5 ;2.0;6.479,#0,3,8 ;15
;HD2 AND HE2 OF HIS WERE NOT ADD TO 2.0 ?
;NO 1 23 HIS HD2 1 21 GLU- HN 1.0 1.0 -2.0 7.0 ;2.0;6.370,#8
1 23 HIS HD2 1 22 ASP- HN 1.0 1.0 -2.0 6.0 ;2.0;4.910,
1 23 HIS HD2 1 23 HIS HN 1.0 1.0 -2.0 5.0 ;2.0;NO
1 24 LEU HD2* 1 18 PHE HN 1.0 1.0 -2.0 6.5 ;1.5;6.490,#1
;NO 1 24 LEU HD* 1 21 GLU- HN 1.0 1.0 -2.0 8.9 ;3.9;5.817,#1
;NO 1 26 VAL HN 1 28 LYS+ HE* 1.0 1.0 -2.0 6.0 ;1.0;9.823,#1
;NO 1 29 HIS HD2 1 29 HIS HN 1.0 1.0 -2.0 7.0 ;2.0;NO
;NO 1 31 HIS HD2 1 9 CYS HN 1.0 1.0 -2.0 7.5 ;2.0;7.517,#2;0.5
;NO 1 31 HIS HE1 1 9 CYS HN 1.0 1.0 -2.0 6.0 ;2.0;5.835,
;NO 1 31 HIS HD2 1 11 ALA HN 1.0 1.0 -2.0 7.0 ;2.0;5.469,#0;#2;0.5
;NO 1 31 HIS HD2 1 27 HIS HN 1.0 1.0 -2.0 7.0 ;2.0;7.409,
;NO 1 31 HIS HD2 1 29 HIS HN 1.0 1.0 -2.0 5.0 ;7.328,#1
;NO 1 31 HIS HD2 1 30 LYS+ HN 1.0 1.0 -2.0 7.0 ;2.0;5.903,#0
1 31 HIS HD2 1 32 GLU- HN 1.0 1.0 -2.0 5.0 ;2.0;5.588,#0
;NO 1 37 PHE HD* 1 37 PHE HN 1.0 1.0 -2.0 7.4 ;2.4,QR
;NO 1 37 PHE HD* 1 38 GLY HN 1.0 1.0 -2.0 7.4 ;2.4,QR
;OTHERS(SIDE CHAIN-SIDE CHAIN)
1 17 ARG+ HA 1 18 PHE HB* 1.0 1.0 -2.0 6.0 ;1.0;4.726,
; 1 18 PHE HB* 1 24 LEU HB* 1.0 1.0 -2.0 7.0 ;1.0;2.816,1.0
1 18 PHE HB1 1 24 LEU HB1 1.0 1.0 -2.0 5.0 ;1.0;2.816,1.0
1 18 PHE HB2 1 24 LEU HB1 1.0 1.0 -2.0 5.0 ;1.0;2.816,1.0
; 1 18 PHE HB* 1 24 LEU HG 1.0 1.0 -2.0 5.0 ;1.0;5.017,
1 18 PHE HB* 1 24 LEU HD* 1.0 1.0 -2.0 9.9 ;1.0,ADD
1 11 ALA HA 1 12 PRO HD* 1.0 1.0 -2.0 4.0 ;1.0;2.469,
1 12 PRO HD* 1 11 ALA HB* 1.0 1.0 -2.0 5.5 ;1.0;2.905,1.5 AN
;D 1 11 ALA HB* 1 14 CYS HB* 1.0 1.0 -2.0 5.5 ;1.5;2.811,1.0
1 9 CYS HB* 1 17 ARG+ HA 1.0 1.0 -2.0 6.5 ;1.0;ADD
1 9 CYS HB1 1 16 GLN HB* 1.0 1.0 -2.0 7.0 ;1.0
; 1 9 CYS HB* 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;1.0;6.703,3.9;;;3/22@
1 9 CYS HB1 1 24 LEU HD* 1.0 1.0 -2.0 7.9 ;;ADD
1 9 CYS HB2 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;;ADD
; 1 9 CYS HB* 1 24 LEU HG 1.0 1.0 -2.0 6.5 ;1.0;7.901,;;;0.5
1 9 CYS HB1 1 24 LEU HG 1.0 1.0 -2.0 4.0 ;7.901,;;;0.5
1 9 CYS HB2 1 24 LEU HG 1.0 1.0 -2.0 5.0 ;7.901,;;;0.5
1 9 CYS HB1 1 11 ALA HB* 1.0 1.0 -2.0 6.5 ;1.0
1 9 CYS HB2 1 11 ALA HB* 1.0 1.0 -2.0 6.5 ;1.0
1 9 CYS HB2 1 16 GLN HA 1.0 1.0 -2.0 5.0
1 9 CYS HA 1 24 LEU HG 1.0 1.0 -2.0 4.0
1 26 VAL HA 1 25 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5;4.657,;;an,+1.0
1 22 ASP- HA 1 25 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5;4.077,
1 22 ASP- HA 1 26 VAL HG* 1.0 1.0 -2.0 8.9 ;3.9;5.707,;an,+1.0
1 22 ASP- HB* 1 25 ALA HB* 1.0 1.0 -2.0 6.5 ;1.0;6.429,1.5;;;an
1 22 ASP- HB* 1 26 VAL HG* 1.0 1.0 -2.0 9.9 ;1.0;6.191,3.9;;;3/22@
1 16 GLN HA 1 17 ARG+ HB* 1.0 1.0 -2.0 5.0 ;1.0;3.051,
;NO 1 16 GLN HB* 1 9 CYS HB* 1.0 1.0 -2.0 7.0 ;2.0;4.433,;;3/22@
1 16 GLN HB* 1 9 CYS HB2 1.0 1.0 -2.0 6.0 ;2.0;4.433
;NO 1 27 HIS HA 1 24 LEU HB* 1.0 1.0 -2.0 5.5 ;1.0;7.407,0.5;;;an
;NO 1 27 HIS HA 1 24 LEU HB1 1.0 1.0 -2.0 5.0 ;1.0;7.407,0.5;;;an
;NO 1 27 HIS HA 1 24 LEU HB2 1.0 1.0 -2.0 5.0 ;1.0;7.407,0.5;;;an
;NO 1 27 HIS HB* 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;1.0;6.613,3.9;;;3/22@
1 27 HIS HB1 1 24 LEU HD1* 1.0 1.0 -2.0 6.5 ;1.5
;NO 1 27 HIS HB* 1 24 LEU HB* 1.0 1.0 -2.0 7.0 ;1.0;5.004,1.0;;;3/22@
1 18 PHE HB* 1 23 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0;2.972,1.0;
; 1 7 PHE HB* 1 18 PHE HB* 1.0 1.0 -2.0 7.0 :1.0;3.097,1.0;
;D 1 7 PHE HB* 1 18 PHE HB2 1.0 1.0 -2.0 6.0 :1.0;3.097;
; 1 7 PHE HB* 1 24 LEU HB* 1.0 1.0 -2.0 7.0 ;1.0;3.570,1.0
1 7 PHE HB* 1 24 LEU HB1 1.0 1.0 -2.0 6.0 ;1.0;3.570,1.0
1 7 PHE HB* 1 24 LEU HB2 1.0 1.0 -2.0 6.0 ;1.0;3.570,1.0
1 17 ARG+ HA 1 24 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9;ADD
1 30 LYS+ HA 1 33 MET HB* 1.0 1.0 -2.0 5.0 ;1.0;2.659,
1 30 LYS+ HA 1 33 MET HG* 1.0 1.0 -2.0 5.0 ;1.0;4.528,
1 26 VAL HA 1 29 HIS HB* 1.0 1.0 -2.0 5.0 ;1.0;3.468,
1 25 ALA HA 1 28 LYS+ HB* 1.0 1.0 -2.0 5.0 ;1.0;2.705,
1 25 ALA HA 1 28 LYS+ HG* 1.0 1.0 -2.0 5.0 ;1.0;4.293,
1 21 GLU- HA 1 24 LEU HB* 1.0 1.0 -2.0 5.0 ;1.0;3.676,
;NO 1 21 GLU- HA 1 24 LEU HG 1.0 1.0 -2.0 5.0 ;1.0;2.498,
1 21 GLU- HA 1 24 LEU HD2* 1.0 1.0 -2.0 6.5 ;1.5;2.926,
;NO 1 9 CYS HA 1 16 GLN HB* 1.0 1.0 -2.0 6.0 ;1.0;8.274,;;;0.5
1 7 PHE HB* 1 24 LEU HD2* 1.0 1.0 -2.0 6.5 ;1.0;3.020,1.5;;;3/22@
1 7 PHE HB* 1 24 LEU HD1* 1.0 1.0 -2.0 7.5 ;1.0;3.020,1.5;;;3/22@
;D 1 7 PHE HB* 1 24 LEU HB1 1.0 1.0 -2.0 6.0 ;1.0;3.020,3.9;;;3/22@
;D 1 7 PHE HB* 1 24 LEU HB2 1.0 1.0 -2.0 6.0 ;1.0;3.020,3.9;;;3/22@
1 25 ALA HA 1 24 LEU HD2* 1.0 1.0 -2.0 6.5 ;1.5;3.594,
; 1 28 LYS+ HG* 1 24 LEU HD* 1.0 1.0 -2.0 9.9 ;1.0;5.725,3.9;;;3/22@
1 28 LYS+ HB* 1 24 LEU HD* 1.0 1.0 -2.0 9.9 ;1.0;ADD
1 18 PHE HB* 1 19 THR HG2* 1.0 1.0 -2.0 7.5 ;1.0;6.111,1.5
1 6 PRO HA 1 7 PHE HB* 1.0 1.0 -2.0 6.0 ;1.0;4.908,
; 1 11 ALA HA 1 14 CYS HB* 1.0 1.0 -2.0 6.0 ;1.0;5.491,
1 11 ALA HA 1 14 CYS HB2 1.0 1.0 -2.0 5.0 ;ADD
;D 1 15 GLY HA* 1 14 CYS HB* 1.0 1.0 -2.0 7.0 ;1.0;5.925,1.0
; 1 15 GLY HA* 1 14 CYS HB2 1.0 1.0 -2.0 6.0 ;;5.925,1.0
1 21 GLU- HA 1 22 ASP- HB* 1.0 1.0 -2.0 6.0 ;1.0;6.001,
1 17 ARG+ HG* 1 8 LEU HD* 1.0 1.0 -2.0 7.9 ;3.9;5.112,;;3/22@
1 17 ARG+ HB* 1 8 LEU HD* 1.0 1.0 -2.0 7.9 ;3.9;6.081,;;3/22@
1 16 GLN HA 1 8 LEU HD* 1.0 1.0 -2.0 7.9 ;3.9;7.098
1 7 PHE HA 1 24 LEU HD2* 1.0 1.0 -2.0 6.5 ;1.5;5.434
1 17 ARG+ HA 1 8 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9;5.629
1 27 HIS HA 1 30 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0;2.274
; 1 23 HIS HA 1 26 VAL HB 1.0 1.0 -2.0 4.0 ;2.411
1 24 LEU HA 1 27 HIS HB* 1.0 1.0 -2.0 6.0 ;1.0;2.838
1 7 PHE HN 1 17 ARG+ HG* 1.0 1.0 -2.0 6.0 ;1.0;
1 9 CYS HN 1 17 ARG+ HG* 1.0 1.0 -2.0 6.0 ;1.0;
;#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4
;
1 9 CYS HN 1 24 LEU HD1* 1.0 1.0 -2.0 4.5 ;1.5;NO,1.0(#10)
1 9 CYS HN 1 24 LEU HG 1.0 1.0 -2.0 5.0 ; ;NO,1.0(#10)
; 1 9 CYS HN 1 24 LEU 1.0 1.0 -2.0 5.5 ;1.5
;
1 8 LEU HN 1 24 LEU HD2* 1.0 1.0 -2.0 5.5 ;1.5;NO,1.0(#10)
; 1 8 LEU HN 1 24 LEU 1.0 1.0 -2.0 5.5 ;1.5
;
1 35 LEU HN 1 33 MET HG* 1.0 1.0 -2.0 6.0 ;1.0;4.201,
1 36 LYS+ HN 1 33 MET HG* 1.0 1.0 -2.0 6.0 ;1.0;2.659,
1 32 GLU- HN 1 30 LYS+ HA 1.0 1.0 -2.0 5.0 ;4.072,
1 32 GLU- HN 1 30 LYS+ HB* 1.0 1.0 -2.0 6.0 ;1.0;5.186,
1 29 HIS HN 1 32 GLU- HB* 1.0 1.0 -2.0 6.0 ;1.0;5.481,
; 1 29 HIS HN 1 32 GLU- HG* 1.0 1.0 -2.0 6.0 ;1.0;7.423,
; 1 34 THR HN 1 36 LYS+ HB* 1.0 1.0 -2.0 5.0 ;1.0;3.725,
; 1 13 GLY HN 1 14 CYS HB* 1.0 1.0 -2.0 6.0 ;1.0;6.012,check
1 13 GLY HN 1 14 CYS HB2 1.0 1.0 -2.0 6.0 ;1.0;OK
1 13 GLY HN 1 11 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5;5.924,
; 1 38 GLY HN 1 35 LEU HD* 1.0 1.0 -2.0 8.9 ;3.9;8.904,
; 1 38 GLY HN 1 35 LEU HD1 1.0 1.0 -2.0 6.5 ;1.5;
; 1 38 GLY HN 1 35 LEU HD2 1.0 1.0 -2.0 6.5 ;1.5;
; 1 38 GLY HN 1 35 LEU HB* 1.0 1.0 -2.0 6.0 ;1.0;7.957,
; 1 14 CYS HB* 1 11 ALA HB* 1.0 1.0 -2.0 5.5 ;1.5
1 14 CYS HB1 1 11 ALA HB* 1.0 1.0 -2.0 6.5 ;1.5,OKADD
1 14 CYS HB2 1 11 ALA HB* 1.0 1.0 -2.0 4.5 ;1.5,OKADD
; 1 14 CYS HB* 1 15 GLY HA* 1.0 1.0 -2.0 7.0 ;1.0
1 14 CYS HB1 1 15 GLY HA* 1.0 1.0 -2.0 6.0 ;1.0,OK
;#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4#4
Contact the webmaster for help, if required. Monday, April 29, 2024 9:59:00 AM GMT (wattos1)