NMR Restraints Grid |
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
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