NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
5982 |
1ib7   |
cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
3 ASP-
HN 4 VAL HN 4.67
HA 4 VAL HN 2.92
HB2 4 VAL HN 3.98
HB3 4 VAL HN 3.98
QB 4 VAL HN 3.82
QB 4 VAL HA 4.76
4 VAL
HN 4 VAL HB 3.10
HN 4 VAL HG11 3.97
HN 4 VAL HG21 4.80
HN 5 LYS+ HN 4.59
HA 4 VAL HG21 3.69
HA 5 LYS+ HN 3.40
HA 6 TYR HE1 5.51
HA 78 GLU- HN 5.50
HB 4 VAL HG11 3.04
HB 4 VAL HG21 2.94
HB 5 LYS+ HN 4.00
HB 6 TYR HE1 4.85
HG11 4 VAL HG21 2.65
HG11 5 LYS+ HN 2.81
HG11 5 LYS+ HA 4.66
HG11 6 TYR HD1 3.41
HG11 6 TYR HE1 3.11
HG11 78 GLU- HN 3.89
HG11 78 GLU- QB 5.38
HG11 78 GLU- QG 3.84
HG21 5 LYS+ HN 2.54
HG21 6 TYR HE1 4.34
HG21 77 GLY HA1 4.29
HG21 77 GLY HA2 4.29
HG21 77 GLY QA 3.87
HG21 78 GLU- HN 3.45
HG21 78 GLU- QG 5.42
5 LYS+
HN 5 LYS+ QG 4.71
HN 77 GLY QA 4.49
HN 78 GLU- HN 4.76
HN 6 TYR HD2 5.58
HA 6 TYR HN 2.76 5
HA 6 TYR HA 5.00
HA 77 GLY HA1 5.57
HA 77 GLY HA2 5.40
HB2 7 TYR HD2 5.20
HB2 77 GLY HA1 5.59
HB2 77 GLY HA2 5.50
HB3 77 GLY HA1 5.49
HB3 77 GLY HA2 5.50
QB 77 GLY QA 5.13
HE2 77 GLY HA2 5.02
HE2 6 TYR HA 5.20
HE2 6 TYR HD2 5.50
6 TYR
HN 6 TYR HB2 3.48
HN 6 TYR HB3 3.52
HN 6 TYR QB 3.28
HN 6 TYR HD1 4.35
HN 6 TYR HE1 5.38
HA 6 TYR HD1 3.11
HA 6 TYR HE1 4.68
HA 7 TYR HN 2.93 5
HA 78 GLU- HN 3.63
HB2 6 TYR HE1 5.41
HB3 6 TYR HE1 5.13
QB 6 TYR HE1 5.55
HD1 7 TYR HN 4.35
HD1 78 GLU- QB 4.49
HE1 7 TYR HN 5.54
HE1 78 GLU- HB2 5.04
HE1 79 LEU HN 5.54
HE1 80 HIS HA 5.32
HE1 81 PRO HB2 5.37
HE1 81 PRO HG2 5.50
7 TYR
HN 7 TYR HB2 3.39
HN 7 TYR HB3 3.62
HN 7 TYR HD1 3.80
HN 78 GLU- HN 4.70
HN 80 HIS HN 3.33
HA 8 THR HN 3.77
HB2 7 TYR HD1 3.21
HB2 8 THR HN 3.84
HB2 29 VAL HG21 4.39
HB3 7 TYR HD1 3.42
HB3 8 THR HN 4.28
HB3 29 VAL HG21 5.48
QB 29 VAL HG21 4.87
QB 79 LEU HA 4.95
HD1 8 THR HN 5.55
HD1 11 GLU- QB 5.37
HD1 22 TRP HZ3 4.07
HD1 29 VAL HB 4.56
HD1 29 VAL HG11 2.62
HD1 29 VAL HG21 2.71
HD1 76 ILE QG1 5.48
HD1 76 ILE HD11 4.88
HD1 77 GLY HA1 5.54
HD1 77 GLY HA2 4.60
HD1 78 GLU- HN 4.40
HE1 22 TRP HE1 5.53
HE1 22 TRP HZ3 4.69
HE1 22 TRP HZ2 5.50
HE1 22 TRP HH2 3.80
HE1 29 VAL HB 5.14
HE1 76 ILE HB 4.54
HE1 76 ILE HG12 5.22
HE1 76 ILE HG13 5.22
HE1 76 ILE QG1 4.75
HE1 76 ILE HD11 2.97
HE1 77 GLY HN 5.44
HE1 77 GLY HA1 4.06
HE1 77 GLY HA2 3.52
HE1 77 GLY QA 3.33
HE1 78 GLU- HN 4.41
HE1 78 GLU- QB 5.58
HE1 78 GLU- QG 5.55
8 THR
HN 8 THR HA 2.91
HN 8 THR HB 3.95
HN 8 THR HG21 4.10
HN 11 GLU- HN 5.03
HN 11 GLU- QB 5.51
HN 11 GLU- QG 5.51
HN 80 HIS HN 5.00
HA 9 LEU HN 2.40
HA 10 GLU- HN 3.80
HA 11 GLU- HB2 5.30
HA 79 LEU HA 5.00
HA 80 HIS HN 5.00
HA 80 HIS HB2 5.00
HB 9 LEU HN 3.65
HB 10 GLU- HN 3.02
HG21 9 LEU HN 3.97
HG21 80 HIS QB 3.97
HG21 80 HIS HE1 5.30
9 LEU
HN 9 LEU QB 3.58
HN 9 LEU HG 4.03
HN 9 LEU HD11 4.59
HN 9 LEU HD21 2.74
HN 10 GLU- HN 3.04 5
HN 10 GLU- HA 5.40
HN 11 GLU- HN 4.50
HN 79 LEU HD21 3.96
HN 83 ASP- HB2 5.19
HN 83 ASP- HB3 5.19
HN 83 ASP- QB 4.86
HA 9 LEU HB2 3.90
HA 10 GLU- HN 5.00
HA 11 GLU- HN 5.00
HA 12 ILE HB 5.00
HA 12 ILE HG21 5.45
HA 12 ILE HG22 5.19
HA 12 ILE HD11 5.00
HA 13 GLN HG2 5.30
HA 83 ASP- HB2 5.51
HA 9 LEU HG 3.97
QB 10 GLU- HN 4.15
HG 10 GLU- HN 3.54
HG 10 GLU- HA 3.64
HG 13 GLN QG 3.87
HD11 83 ASP- QB 3.68
HD11 84 ARG+ HA 4.96
10 GLU-
HN 10 GLU- HA 2.83
HN 10 GLU- HB2 2.87
HN 10 GLU- HB3 3.32
HN 10 GLU- QG 5.49
HN 11 GLU- HN 2.62 5
HA 10 GLU- HB2 4.90
HA 10 GLU- HB3 5.00
HA 11 GLU- HN 5.00
HA 13 GLN HA 5.64
HB2 14 LYS+ HE2 5.04
HB2 11 GLU- HN 3.42
HB3 11 GLU- HN 3.42
QB 11 GLU- HN 3.21
11 GLU-
HN 11 GLU- QB 3.52
HN 11 GLU- QG 4.26
HN 12 ILE HN 3.16 5
HN 12 ILE HA 5.56
HN 12 ILE HB 5.53
HN 13 GLN HN 4.52
HN 14 LYS+ HG2 5.00
HA 11 GLU- HB3 5.00
HA 12 ILE HN 5.00
HA 14 LYS+ HN 5.00
HG2 12 ILE HN 5.00
HB2 14 LYS+ HG2 5.43
HB2 22 TRP HZ3 5.40
HG2 15 HIS HE1 5.50
HG2 22 TRP HE3 5.00
HG2 22 TRP HZ2 5.21
12 ILE
HN 12 ILE HB 3.48
HN 12 ILE HG21 3.24
HN 12 ILE HD11 2.49
HN 13 GLN HN 3.23
HN 22 TRP HZ2 5.56
HA 15 HIS HD2 4.26
HA 22 TRP HE3 3.30
HA 22 TRP HZ3 5.05
HG21 22 TRP HE3 2.52
HG21 23 VAL HA 4.97
HG21 51 GLY QA 4.27
QG1 22 TRP HE3 4.96
HD11 22 TRP HE3 2.70
13 GLN
HN 13 GLN HB2 2.98
HN 13 GLN HB3 3.56
HN 13 GLN QB 2.96
HN 13 GLN HG2 3.58
HN 13 GLN HG3 3.58
HN 13 GLN QG 3.08
HN 14 LYS+ HN 3.33
HA 16 LYS+ QB 4.73
HA 51 GLY HA1 5.00
HA 51 GLY HA2 5.00
HA 52 GLY HN 5.30
HA 52 GLY HA1 5.47
HB3 13 GLN HG2 5.00
HB3 14 LYS+ HA 4.90
HB3 15 HIS HN 5.50
HB3 51 GLY HA2 5.50
HG2 52 GLY HA1 5.44
HG2 52 GLY HA2 5.35
14 LYS+
HN 15 HIS HN 2.90
HN 14 LYS+ HD2 4.33
HN 15 HIS HN 5.00
HN 15 HIS HD2 5.26
HA 15 HIS HN 5.00
HB2 16 LYS+ HA 5.50
HD2 15 HIS HN 5.50
HN 51 GLY HA1 5.44
HA 15 HIS HB2 5.32
HA 15 HIS HB3 5.58
HB2 15 HIS HB3 5.53
HB2 15 HIS HE1 5.50
HG2 14 LYS+ HE2 5.00
HG2 15 HIS HE1 5.54
15 HIS
HN 15 HIS QB 3.70
HN 15 HIS HD2 3.76
HN 16 LYS+ HN 3.96
HA 16 LYS+ HN 3.21
HA 16 LYS+ QB 5.51
HA 17 ASP- HN 3.21
HA 20 SER HN 4.22
HB2 22 TRP HE3 5.50
HB3 22 TRP HE3 5.55
QB 22 TRP HE3 4.97
HD2 22 TRP HE3 5.31
HD2 22 TRP HZ3 5.00
16 LYS+
HN 16 LYS+ QB 3.85
HN 17 ASP- HN 2.77
HN 17 ASP- HA 5.00
HN 20 SER HB2 5.50
HN 20 SER HB3 5.34
HN 21 THR HA 5.20
HA 16 LYS+ QG 3.88
HA 17 ASP- HN 3.26
HA 50 ALA HB2 2.86
QG 51 GLY HN 5.38
17 ASP-
HN 17 ASP- HB3 3.80
HN 18 SER HN 5.00
HN 18 SER HB2 5.40
HN 20 SER HN 5.00
HN 17 ASP- HA 2.92
HA 17 ASP- HB2 3.05
HA 17 ASP- HB3 3.05
HA 47 ARG+ HD2 3.65
19 LYS+
HN 19 LYS+ HA 2.87
HN 20 SER HN 3.41
20 SER
HN 21 THR HN 3.86
HN 20 SER HB2 3.80
HN 21 THR HN 3.80
HN 33 THR HG21 5.50
HA 20 SER HB3 5.00
HA 20 SER HB2 5.00
HA 21 THR HA 5.00
HA 21 THR HB 5.00
HA 33 THR HN 5.38
HA 21 THR HN 2.77
HA 33 THR HG21 2.68
21 THR
HN 21 THR HG21 4.78
HN 33 THR HN 4.14
HN 33 THR HA 3.23
HN 33 THR HG21 2.40
HA 21 THR HG21 3.32
HA 22 TRP HN 2.83 5
HA 50 ALA HA 5.53
HA 50 ALA HB2 5.00
HB 21 THR HG21 3.04
HB 50 ALA HB2 5.52
HB 22 TRP HA 5.50
HB 33 THR HA 5.00
HB 36 LEU HD11 5.59
HG21 32 LEU HN 5.47
HG21 33 THR HA 5.50
HG21 36 LEU HD21 4.17
HG21 47 ARG+ HN 4.25
HG21 47 ARG+ HA 3.13
22 TRP
HN 22 TRP HB2 3.92
HN 22 TRP HB3 3.92
HN 22 TRP QB 3.60
HN 51 GLY HN 4.07
HA 23 VAL HN 2.90 5
HA 30 TYR HN 4.54
HA 32 LEU HN 3.77
HB2 22 TRP HE3 4.01
HB2 23 VAL HN 4.07
HB2 51 GLY HA1 5.25
HB2 51 GLY HA2 5.25
HB3 22 TRP HE3 4.01
HB3 23 VAL HN 3.67
HB3 51 GLY HA1 5.25
HB3 51 GLY HA2 5.25
QB 23 VAL HN 3.32
QB 51 GLY HN 5.38
QB 51 GLY QA 5.21
HD1 31 ASP- HA 2.99
HE3 29 VAL HG21 4.34
HE1 76 ILE HD11 3.85
HZ3 76 ILE HD11 4.30
HZ2 76 ILE HD11 3.11
HH2 76 ILE HD11 3.69
23 VAL
HN 23 VAL HG11 3.36
HN 23 VAL HG21 4.86
HN 24 ILE HN 4.11
HN 29 VAL HG21 5.54
HN 30 TYR HN 3.48
HA 23 VAL HG11 3.87
HA 23 VAL HG21 3.99
HA 24 ILE HN 2.99 5
HA 51 GLY HN 4.73
HA 52 GLY HN 4.81
HG11 24 ILE HN 5.08
HG11 25 LEU HD21 4.05
HG11 30 TYR HN 3.95
HG11 30 TYR HD1 5.39
HG11 46 LEU HD21 5.56
HG21 24 ILE HN 4.54
HG21 25 LEU HD21 3.77
HG21 30 TYR HD1 5.23
HG21 46 LEU HA 5.40
HG21 50 ALA HA 4.78
HG21 54 ALA HB1 2.40
24 ILE
HN 51 GLY QA 5.24
HN 52 GLY HN 5.43
HN 53 ASP- HA 3.21
HN 54 ALA HN 3.98
HA 25 LEU HN 3.05 5
HA 29 VAL HA 3.98
HA 29 VAL HG21 5.53
HA 30 TYR HN 4.80
HA 30 TYR HD1 5.84
HA 30 TYR HE1 5.10
HB 53 ASP- HA 3.02
HG21 25 LEU HA 3.82
HG21 25 LEU QB 5.66
HG21 25 LEU HD21 5.38
HG21 26 HIS HN 4.98
HG21 26 HIS HA 5.38
HG21 84 ARG+ HA 5.53
HD11 53 ASP- QB 4.09
25 LEU
HN 25 LEU HD11 5.21
HN 25 LEU HD21 4.95
HN 28 LYS+ HN 4.13
HN 29 VAL HA 3.58
HN 29 VAL HG21 5.22
HN 30 TYR HD1 5.04
HN 30 TYR HE1 5.61
HA 25 LEU HD11 3.63
HA 25 LEU HD21 4.46
HA 26 HIS HN 2.99
HA 54 ALA HN 5.41
HA 55 THR HA 4.26
HB2 25 LEU HD11 3.69
HB3 25 LEU HD11 4.26
QB 25 LEU HD11 4.06
QB 25 LEU HD21 3.56
QB 26 HIS HN 5.11
HG 25 LEU HD11 2.90
HG 25 LEU HD21 3.09
HG 54 ALA HN 5.63
HG 58 PHE QB 5.50
HD11 25 LEU HD21 2.83
HD11 26 HIS HN 5.53
HD11 30 TYR HB2 4.66
HD11 30 TYR HB3 5.59
HD11 30 TYR HE1 5.50
HD11 54 ALA HN 3.80
HD11 55 THR HN 4.55
HD11 58 PHE HN 4.86
HD11 58 PHE HB2 3.17
HD11 58 PHE HB3 3.44
HD11 58 PHE QB 2.97
HD11 58 PHE HD1 4.45
HD11 58 PHE HE1 5.51
HD11 59 GLU- HN 5.56
HD21 26 HIS HN 5.31
HD21 30 TYR HD1 4.79
HD21 30 TYR HE1 5.49
HD21 58 PHE HD1 4.76
HD21 58 PHE HE1 4.68
26 HIS
HN 26 HIS HA 2.83
HN 26 HIS HB2 3.93
HN 26 HIS HB3 3.83
HN 26 HIS QB 3.60
HN 27 HIS HN 4.24
HN 55 THR HA 3.92
HN 55 THR HG21 3.68
HE1 58 PHE HD1 4.45
27 HIS
HN 27 HIS HA 2.77
HN 28 LYS+ HN 3.76
HA 78 GLU- HN 5.58
HA 28 LYS+ HN 2.69 5
28 LYS+
HN 30 TYR HD1 5.59
HA 29 VAL HN 2.74 5
HA 29 VAL HN 2.96
HA 29 VAL HG11 4.17
HA 78 GLU- HA 3.39
QB 75 ILE HD11 3.28
QE 75 ILE HD11 3.50
29 VAL
HN 29 VAL HB 3.53
HN 29 VAL HG11 2.46
HN 30 TYR HN 4.66
HN 77 GLY HN 4.84
HN 78 GLU- HA 3.24
HN 79 LEU HN 4.26
HA 29 VAL HG11 3.75
HA 29 VAL HG21 4.22
HA 30 TYR HN 2.90 5
HA 30 TYR HD1 4.21
HG11 29 VAL HG21 2.40
HG11 30 TYR HN 5.43
HG11 79 LEU HN 3.15
HG21 30 TYR HN 5.21
HG21 76 ILE HD11 3.05
HG21 77 GLY HN 3.79
HG21 78 GLU- HN 4.96
HG21 78 GLU- HA 3.71
30 TYR
HN 30 TYR HB2 3.76
HN 30 TYR HB3 4.06
HN 30 TYR QB 3.55
HN 30 TYR HD1 3.58
HN 30 TYR HE1 5.59
HN 31 ASP- HN 4.48
HN 76 ILE HD11 5.16
HA 30 TYR HD1 4.41
HA 31 ASP- HN 2.90 5
HA 74 TYR HA 5.55
HA 76 ILE HN 4.06
HB2 30 TYR HD1 3.42
HB3 30 TYR HD1 4.12
HD1 75 ILE HN 5.88
HD1 75 ILE HA 4.91
HD1 75 ILE QG1 5.38
HE1 74 TYR HN 5.54
HE1 75 ILE HA 4.40
HE1 75 ILE HG21 5.59
HE1 75 ILE QG1 5.10
HE1 75 ILE HD11 3.87
31 ASP-
HN 31 ASP- QB 3.61
HN 75 ILE HA 3.64
HN 76 ILE HB 5.58
HN 76 ILE HG21 3.11
HN 76 ILE HG12 5.50
HN 76 ILE HG13 5.50
HN 76 ILE QG1 5.36
HN 76 ILE HD11 3.98
HA 32 LEU HN 2.99 5
HA 76 ILE HD11 4.79
HB2 76 ILE HG13 5.00
HB2 76 ILE HB 5.52
HB2 76 ILE HD11 5.00
32 LEU
HN 32 LEU HG 3.39
HA 32 LEU HD11 5.18
QB 35 TYR HD1 5.01
QB 35 TYR HE1 4.90
HD11 35 TYR HD1 4.20
HD11 46 LEU HD11 2.46
HD11 46 LEU HD21 2.79
HD21 46 LEU HD11 4.97
HD21 46 LEU HD21 4.02
HD21 74 TYR QB 5.53
33 THR
HN 34 LYS+ HN 3.05 5
HN 33 THR HB 2.87
HA 33 THR HG21 2.93
HA 36 LEU HN 4.29
HB 33 THR HG21 3.10
HB 34 LYS+ HN 3.43
34 LYS+
HN 35 TYR HN 3.24 5
HN 34 LYS+ HA 2.88
HN 34 LYS+ HB2 5.00
HN 34 LYS+ HE2 5.00
HA 34 LYS+ HB2 3.00
HA 34 LYS+ HG2 4.50
HA 34 LYS+ HD2 4.60
HA 36 LEU HN 4.07
HB2 74 TYR HD2 5.29
HD2 74 TYR HE1 5.53
HD2 74 TYR HD1 5.21
QB 74 TYR HE1 5.55
35 TYR
HN 35 TYR QB 3.63
HN 36 LEU HN 2.93 5
HN 36 LEU HA 4.74
HA 35 TYR HD1 4.34
HA 35 TYR HE1 5.50
HA 38 GLU- HN 3.89
HA 38 GLU- QB 3.99
HA 38 GLU- QG 4.37
HA 39 HIS HN 4.23
HA 74 TYR HE1 5.59
QB 74 TYR HE1 4.64
HD1 35 TYR HH 5.38
HD1 39 HIS QB 4.92
HD1 46 LEU QB 5.45
HD1 46 LEU HD11 4.28
HE1 35 TYR HH 3.55
HE1 36 LEU HA 5.56
HE1 39 HIS HN 4.92
HE1 40 PRO QD 5.51
HE1 46 LEU HD11 4.83
HE1 46 LEU HD21 5.25
HE1 70 LEU HD21 5.11
HE1 74 TYR HE1 5.27
HH 39 HIS HA 4.63
36 LEU
HN 36 LEU HG 4.56
HN 36 LEU HD11 3.99
HN 36 LEU HD21 4.51
HN 37 GLU- HN 3.55 5
HN 46 LEU HD11 5.43
HA 36 LEU HD21 2.40
HA 39 HIS HN 3.86
HA 43 GLU- HA 4.50
HA 46 LEU HD11 2.67
HG 36 LEU HD11 4.30
HG 43 GLU- HA 5.55
HG 46 LEU HB2 5.00
HG 47 ARG+ HG2 5.00
HD11 37 GLU- HN 3.27
HD11 39 HIS QB 5.43
HD21 43 GLU- HA 3.39
HD21 46 LEU HD11 2.54
HD21 46 LEU HD21 5.34
37 GLU-
HN 37 GLU- HB2 3.62
HN 37 GLU- HB3 3.64
HN 37 GLU- QB 3.08
HN 37 GLU- HG2 3.73
HN 37 GLU- HG3 3.73
HN 37 GLU- QG 3.44
HN 38 GLU- HN 3.11 5
HN 39 HIS HN 4.04
HA 38 GLU- HN 4.00
HA 39 HIS HN 4.00
HA 43 GLU- HB2 5.00
HA 37 GLU- HB2 4.40
HA 37 GLU- HB3 4.10
HB2 38 GLU- HN 5.00
HB3 37 GLU- HG2 3.50
HA 43 GLU- QB 3.71
HB2 38 GLU- HN 4.36
HB3 38 GLU- HN 4.48
QB 38 GLU- HN 4.27
38 GLU-
HN 38 GLU- HB2 3.42
HN 38 GLU- HB3 3.42
HN 39 HIS HN 2.90 5
HN 40 PRO HG2 5.20
HN 43 GLU- HA 5.58
HN 46 LEU HD11 5.53
HA 38 GLU- HB2 5.00
HA 39 HIS HN 5.00
HB3 39 HIS HN 5.00
39 HIS
HN 39 HIS HB2 3.17
HN 39 HIS HB3 3.17
HN 39 HIS HD1 5.13
HN 42 GLY QA 5.59
HA 41 GLY HN 3.76
HB2 46 LEU HD11 3.44
HB2 46 LEU HD21 5.34
HB3 46 LEU HD11 3.39
HB3 46 LEU HD21 5.42
QB 46 LEU HD21 5.12
HD1 41 GLY HN 5.00
HD1 41 GLY QA 5.38
HD1 42 GLY HN 4.11
HD1 42 GLY QA 5.58
HD1 43 GLU- HA 5.50
HD1 45 VAL HG11 3.17
HD1 45 VAL HG21 4.19
HD1 46 LEU HD11 3.53
HD1 46 LEU HD21 4.17
40 PRO
HA 40 PRO HB2 3.00
HA 40 PRO HD3 5.50
HB2 41 GLY HN 5.00
HD2 41 GLY HA2 5.00
HD2 42 GLY HN 5.50
HD3 42 GLY HN 5.59
41 GLY
HN 42 GLY HN 3.20
HN 42 GLY HA1 5.35
HN 42 GLY HA2 5.52
42 GLY
HN 42 GLY HA1 2.93
HN 42 GLY HA2 2.93
HN 43 GLU- HN 4.26
HA1 43 GLU- HN 3.22
HA2 43 GLU- HN 3.56
43 GLU-
HN 43 GLU- HB2 3.63
HN 43 GLU- HB3 3.35
HN 44 GLU- HN 4.04
HA 43 GLU- QG 3.73
HA 46 LEU HN 4.01
HA 46 LEU HD11 3.62
HA 46 LEU HD21 5.52
HA 47 ARG+ HN 4.66
HB2 44 GLU- HN 5.00
44 GLU-
HN 45 VAL HN 3.24 5
HN 48 GLU- HN 5.27
HN 44 GLU- HB2 3.00
HN 46 LEU HN 4.50
HA 44 GLU- HB2 3.05
HA 44 GLU- HG2 4.00
HA 47 ARG+ HB2 4.30
HA 47 ARG+ HG2 5.00
HA 47 ARG+ HD2 5.30
HA 48 GLU- HB3 5.00
HA 46 LEU HN 4.07
HA 47 ARG+ HN 3.42
QB 45 VAL HN 3.87
QG 45 VAL HN 4.40
45 VAL
HN 45 VAL HB 2.87
HN 45 VAL HG11 3.47
HN 45 VAL HG21 4.41
HN 46 LEU HN 3.33 5
HN 47 ARG+ HN 5.00
HA 46 LEU HN 4.00
HA 45 VAL HB 2.90
HA 48 GLU- HB2 4.14
HA 48 GLU- HB3 4.00
HA 48 GLU- HG2 5.50
HA 49 GLN HN 5.00
HA 49 GLN HG2 5.30
HB 45 VAL HG11 3.30
HB 45 VAL HG21 3.40
HB 46 LEU HN 4.33
HA 48 GLU- HN 4.32
HA 48 GLU- QB 3.52
HB 45 VAL HG11 2.75
HG11 46 LEU HN 5.00
HG11 46 LEU HD11 5.50
HG11 46 LEU HD21 5.52
HG21 46 LEU HN 5.00
HG21 46 LEU HD11 5.50
HG21 46 LEU HD21 5.50
46 LEU
HN 46 LEU HB2 3.60
HN 46 LEU HB3 3.62
HN 46 LEU QB 3.26
HN 46 LEU HG 3.67
HN 46 LEU HD11 4.50
HN 46 LEU HD21 4.41
HN 47 ARG+ HN 3.11 5
HN 48 GLU- HN 4.11
HA 46 LEU HD11 4.89
HA 46 LEU HD21 3.40
HA 49 GLN HN 3.93
HA 49 GLN QG 4.04
HB2 46 LEU HD11 2.87
HB2 46 LEU HD21 3.49
HB3 46 LEU HD11 3.13
HB3 46 LEU HD21 3.39
QB 46 LEU HD21 3.10
HG 46 LEU HD11 3.09
HG 46 LEU HD21 2.98
HG 47 ARG+ HN 4.85
HD11 47 ARG+ HN 5.10
HD21 47 ARG+ HN 5.52
47 ARG+
HN 47 ARG+ HB2 2.96
HN 47 ARG+ HB3 3.56
HN 47 ARG+ QB 3.16
HN 47 ARG+ QG 4.45
HN 47 ARG+ QD 4.71
HN 48 GLU- HA 5.40
HN 49 GLN HN 5.00
HA 47 ARG+ HB2 3.10
HA 49 GLN HN 4.13
HA 50 ALA HA 5.00
HA 50 ALA HB2 5.00
HN 48 GLU- HN 3.73
HA 47 ARG+ QG 3.77
HA 49 GLN HA 5.55
HA 50 ALA HN 3.33
HA 50 ALA HB2 2.51
QB 48 GLU- HN 4.11
QG 48 GLU- HN 5.54
HB2 47 ARG+ HD2 3.60
HB2 48 GLU- HN 5.00
HB2 48 GLU- HA 5.00
HB2 48 GLU- HB3 5.17
HB2 49 GLN HN 5.50
HG2 47 ARG+ HD2 3.80
48 GLU-
HN 48 GLU- QB 3.49
HN 48 GLU- QG 5.54
HN 49 GLN HN 3.24
HN 49 GLN HG2 5.20
HN 50 ALA HN 5.00
HA 48 GLU- HB2 3.00
HA 48 GLU- HB3 3.20
HA 49 GLN HG2 5.50
HA 49 GLN HN 3.69
HB2 49 GLN HG2 5.20
HG2 49 GLN HG2 5.20
QB 49 GLN HN 4.45
49 GLN
HN 49 GLN QB 3.73
HN 49 GLN QG 4.49
HN 50 ALA HN 3.90
HA 49 GLN HG2 5.00
HA 50 ALA HN 3.80
HB2 49 GLN HG2 3.90
HB2 50 ALA HN 5.12
HB2 50 ALA HA 5.12
HB2 54 ALA HA 5.00
HG2 54 ALA HA 5.12
HG2 54 ALA HB2 5.00
HA 52 GLY QA 4.57
50 ALA
HN 50 ALA HB2 2.40
HN 51 GLY HN 3.80
HA 52 GLY HN 5.00
HA 50 ALA HB2 3.00
HA 50 ALA HB2 2.40
HA 51 GLY HN 3.68
HB2 51 GLY HN 2.52
HB2 52 GLY HN 5.00
51 GLY
HN 52 GLY HN 3.39
HN 51 GLY HA1 3.00
HN 51 GLY HA2 5.00
HA2 52 GLY HN 4.00 5
52 GLY
HN 52 GLY HA1 5.00
HN 52 GLY HA2 3.00
HN 53 ASP- HN 4.45
HA1 53 ASP- HN 3.14 5
HA2 53 ASP- HN 3.54 5
53 ASP-
HN 53 ASP- HB2 3.83
HN 53 ASP- HB3 3.21
HN 53 ASP- QB 3.41
HN 54 ALA HN 4.54
HA 54 ALA HN 2.99 5
HB2 54 ALA HN 4.49
HB3 54 ALA HN 4.50
QB 54 ALA HN 4.38
QB 55 THR HN 4.48
54 ALA
HN 54 ALA HB1 2.81
HN 55 THR HN 3.55
HN 55 THR HA 4.35
HA 55 THR HN 3.42
HA 56 GLU- HN 4.44
HA 57 ASN HN 5.50
HB1 57 ASN QB 4.15
55 THR
HN 55 THR HB 3.33
HN 56 GLU- HN 3.55 5
HN 57 ASN HN 5.00
HN 55 THR HG1 3.60
HA 55 THR HG1 5.40
HA 56 GLU- HN 4.70
HA 55 THR HB 5.55
HA 55 THR HG1 3.90
HA 58 PHE HA 5.52
HA 59 GLU- HA 5.39
HA 55 THR HG21 2.99
HA 58 PHE HN 3.74
HA 59 GLU- HN 4.17
HB 55 THR HG21 2.80
HG21 56 GLU- HN 3.11
HG21 57 ASN HN 5.22
HG21 58 PHE HN 5.00
HG21 59 GLU- HN 5.00
56 GLU-
HN 57 ASN HN 3.17 5
HN 56 GLU- HB2 3.60
HN 56 GLU- HB3 3.90
HN 56 GLU- HG2 4.90
HA 56 GLU- HB2 3.05
HA 56 GLU- HB3 3.20
HA 57 ASN HN 3.60
HA 57 ASN HA 5.00
HA 58 PHE HN 5.00
HA 59 GLU- HN 5.00
HA 60 ASP- HN 3.36
HB2 57 ASN HN 3.67
HB3 57 ASN HN 3.76
QB 57 ASN HN 3.20
QB 60 ASP- HN 4.70
57 ASN
HN 57 ASN HA 2.90
HN 57 ASN HB2 3.27
HN 57 ASN HB3 3.49
HN 57 ASN QB 2.93
HN 58 PHE HN 3.11 5
HA 60 ASP- HB2 3.51
HA 60 ASP- HB3 3.36
HA 60 ASP- QB 3.05
QB 58 PHE HN 3.77
58 PHE
HN 58 PHE HB2 3.21
HN 58 PHE HB3 3.21
HN 58 PHE QB 2.85
HN 58 PHE HD1 5.22
HN 59 GLU- HN 3.64 5
HN 59 GLU- QG 4.87
HA 58 PHE HD1 4.53
HA 61 VAL HG11 3.52
HB2 58 PHE HD1 3.50
HB3 58 PHE HD1 3.66
QB 58 PHE HD1 3.15
QB 63 HIS HD1 4.90
HD1 59 GLU- HN 5.50
HD1 59 GLU- QG 5.59
HD1 63 HIS HD1 4.58
59 GLU-
HN 59 GLU- QB 3.63
HN 59 GLU- QG 5.38
HN 60 ASP- HN 2.43 5
HN 61 VAL HN 5.00
HN 62 GLY HN 4.80
HA 62 GLY HN 4.50
HA 62 GLY HA1 5.00
HA 62 GLY HA2 5.05
HA 61 VAL HN 4.30
HA 63 HIS HN 4.00
HA 63 HIS HB2 5.00
QB 60 ASP- HN 3.99
60 ASP-
HN 60 ASP- HB2 3.21
HN 60 ASP- HB3 3.21
HN 60 ASP- QB 2.99
HN 61 VAL HN 3.33
HA 60 ASP- HB2 3.20
HA 60 ASP- HB3 3.06
HA 61 VAL HN 3.90
HA 62 GLY HN 3.81
HA 61 VAL HG11 5.55
HA 62 GLY HA1 5.24
HB2 61 VAL HN 3.86
HB3 61 VAL HN 3.73
HB3 61 VAL HB 5.50
HB3 62 GLY HN 5.00
QB 61 VAL HG21 5.57
61 VAL
HN 61 VAL HB 3.54
HN 61 VAL HG11 3.09
HN 61 VAL HG21 2.96
HN 62 GLY HN 3.30
HN 63 HIS HN 5.19
HA 61 VAL HB 2.56
HA 61 VAL HG11 3.90
HA 61 VAL HG21 4.22
HA 62 GLY HN 3.58
HB 61 VAL HG21 2.92
HB 62 GLY HN 4.48
HG11 61 VAL HG21 2.40
HG11 63 HIS HD1 4.90
HG21 62 GLY HN 3.83
HG21 63 HIS HN 4.73
HG21 63 HIS HD1 3.21
62 GLY
HN 62 GLY HA1 2.93
HN 62 GLY HA2 2.93
HN 63 HIS HN 3.28
HN 63 HIS HB2 5.56
HN 63 HIS HE1 5.50
HA1 62 GLY HA2 2.70
HA1 63 HIS HA 5.00
HA1 63 HIS HB2 5.60
HA1 63 HIS HN 3.48
HA2 63 HIS HN 3.60
63 HIS
HN 63 HIS HB2 3.50
HN 63 HIS HB3 3.49
HN 63 HIS QB 3.22
HN 63 HIS HD1 3.86
HN 64 SER HN 4.65
HA 64 SER HN 2.59
HA 67 ALA HB1 4.52
HB2 64 SER HN 4.25
HB3 64 SER HN 3.61
QB 67 ALA HB1 3.54
HD2 67 ALA HB1 2.88
64 SER
HN 64 SER QB 3.72
HN 65 THR HN 4.63
HN 67 ALA HN 4.29
HN 67 ALA HB1 3.22
HA 65 THR HN 3.68
QB 66 ASP- HN 3.52
65 THR
HN 65 THR HB 2.77
HN 66 ASP- HN 3.42 5
HN 67 ALA HN 4.30
HA 68 ARG+ HN 2.96
HA 68 ARG+ QB 3.68
HA 69 GLU- HN 4.61
HB 66 ASP- HN 3.14
HG21 66 ASP- HA 3.04
66 ASP-
HN 66 ASP- QB 3.52
HN 67 ALA HN 3.55 5
HA 67 ALA HN 3.60
HA 68 ARG+ HN 4.65
HA 67 ALA HA 4.90
HN 66 ASP- HA 5.00
HA 69 GLU- HN 3.85
HB2 67 ALA HN 5.00
67 ALA
HN 67 ALA HB1 2.40
HN 68 ARG+ HN 3.70 5
HA 68 ARG+ HN 4.00
HA 69 GLU- HN 4.50
HA 67 ALA HB1 2.80
HA 70 LEU HN 3.17
HA 71 SER HN 3.35
HB1 68 ARG+ HN 3.81
68 ARG+
HN 68 ARG+ QG 4.64
HN 69 GLU- HN 3.45 5
HN 68 ARG+ HN 2.60
HN 68 ARG+ HA 5.50
HA 68 ARG+ HN 4.00
HA 69 GLU- HN 4.50
HB2 68 ARG+ HN 3.50
HB2 68 ARG+ HA 5.20
QB 69 GLU- HN 3.80
69 GLU-
HN 69 GLU- QB 3.61
HN 69 GLU- QG 4.92
HN 70 LEU HN 3.14 5
HA 69 GLU- QG 3.63
HA 70 LEU HN 3.64
HA 72 LYS+ QB 3.90
QB 70 LEU HN 3.93
70 LEU
HN 70 LEU HA 2.83
HN 70 LEU HB2 3.55
HN 70 LEU HB3 3.55
HN 70 LEU QB 3.09
HN 70 LEU HG 4.16
HN 70 LEU HD11 3.45
HN 70 LEU HD21 3.73
HN 71 SER HN 3.39 5
HA 70 LEU HG 3.61
HA 70 LEU HD11 2.40
HA 72 LYS+ HN 4.60
HA 73 THR HN 4.11
QB 70 LEU HD21 3.42
HG 71 SER HN 4.94
HG 74 TYR HE1 5.50
HD11 74 TYR HE1 3.37
71 SER
HN 71 SER QB 3.50
HN 72 LYS+ HN 3.55
HN 74 TYR HE2 5.60
HA 74 TYR HN 5.00
HA 75 ILE HN 5.53
HA 71 SER HB3 3.50
72 LYS+
HN 72 LYS+ QB 3.51
HN 72 LYS+ QG 4.24
HN 73 THR HN 3.27
HA 74 TYR HN 4.13
HA 75 ILE HN 4.20
HA 75 ILE HG21 3.86
QB 73 THR HN 3.83
73 THR
HN 73 THR HB 2.90
HN 73 THR HG21 3.86
HN 74 TYR HN 3.36
HA 73 THR HG21 3.58
HA 75 ILE HN 4.01
HB 73 THR HG21 2.77
HB 74 TYR HN 3.76
HB 74 TYR HD1 3.29
HB 74 TYR HE1 4.39
HG21 74 TYR HA 3.49
HG21 74 TYR HD1 2.87
HG21 74 TYR HE1 3.16
74 TYR
HN 74 TYR QB 3.73
HN 74 TYR HD1 3.58
HN 75 ILE HN 3.11
HN 75 ILE HA 4.90
HN 75 ILE HG21 5.11
HA 75 ILE HN 2.90 5
HA 74 TYR HD1 4.45
HA 76 ILE HG21 4.76
75 ILE
HN 75 ILE HB 2.74
HN 75 ILE HG21 2.68
HN 75 ILE QG1 5.57
HA 75 ILE HG21 3.79
HA 75 ILE HD11 4.67
HA 76 ILE HN 2.90 5
HA 76 ILE HG12 5.50
HA 76 ILE HG13 5.20
HA 76 ILE QG1 5.60
HA 77 GLY HN 3.89
HB 75 ILE HG21 2.92
HB 76 ILE HN 4.64
HG21 75 ILE QG1 3.98
HG21 76 ILE HN 4.54
HG21 77 GLY HN 5.53
QG1 76 ILE HN 5.50
QG1 77 GLY HN 5.35
QG1 77 GLY QA 5.42
76 ILE
HN 76 ILE HB 3.88
HN 76 ILE HG21 2.62
HN 76 ILE HG12 3.89
HN 76 ILE HG13 4.29
HN 76 ILE QG1 3.53
HN 77 GLY HN 2.87
HN 77 GLY HA1 5.17
HN 77 GLY HA2 5.57
HA 77 GLY HN 3.68 5
HB 76 ILE HG21 3.03
HB 76 ILE HD11 4.20
HG21 76 ILE HD11 3.69
HG21 77 GLY HN 4.08
HG12 76 ILE HD11 2.58
HG12 77 GLY HN 4.38
HG13 76 ILE HD11 2.52
HG13 77 GLY HN 4.38
QG1 77 GLY QA 5.55
HD11 77 GLY HN 3.88
HD11 77 GLY QA 5.59
77 GLY
HN 78 GLU- HN 4.67
HA1 78 GLU- HN 3.02 5
HA2 78 GLU- HN 3.02 5
78 GLU-
HN 78 GLU- QB 3.70
HN 78 GLU- QG 5.32
HA 78 GLU- HB2 5.00
HA 78 GLU- HG2 5.00
HA 79 LEU HN 2.99 5
QB 79 LEU HN 4.14
79 LEU
HN 79 LEU QB 3.71
HN 79 LEU HD11 2.56
HA 80 HIS HN 3.21 5
HD21 83 ASP- QB 4.60
HD21 84 ARG+ HA 3.95
80 HIS
HN 80 HIS QB 3.56
HN 80 HIS HD1 5.50
HN 80 HIS HB2 5.00
HN 80 HIS HD2 5.50
HN 80 HIS HE1 5.50
HN 81 PRO HG2 5.55
HN 81 PRO HD2 5.00
HA 80 HIS HB2 5.00
HA 80 HIS HD2 5.00
HA 81 PRO HB2 5.50
HB2 83 ASP- HN 5.50
HD2 80 HIS HE1 4.26
HD2 81 PRO HG2 5.51
HD2 81 PRO HD2 5.30
HE1 82 ASP- HN 5.36
HE1 82 ASP- HB2 4.10
HE1 82 ASP- HB3 3.95
81 PRO
HA 83 ASP- HN 4.26
HA 84 ARG+ HN 3.86
HB2 82 ASP- HN 4.28
HB3 82 ASP- HN 4.67
QB 82 ASP- HN 4.47
QG 82 ASP- HN 5.57
HD2 82 ASP- HN 5.50
HD3 82 ASP- HN 5.50
82 ASP-
HN 82 ASP- HB2 3.74
HN 82 ASP- HB3 3.24
HN 83 ASP- HN 3.30 5
HN 83 ASP- HA 5.09
HN 84 ARG+ HN 4.38
HN 84 ARG+ QG 5.52
83 ASP-
HN 83 ASP- QB 3.53
HN 84 ARG+ HN 2.99 5
HN 84 ARG+ HA 4.85
HN 85 SER HN 4.53
HA 84 ARG+ HN 3.58
HA 85 SER HN 4.29
HB2 84 ARG+ HN 4.16
HB3 84 ARG+ HN 4.41
84 ARG+
HN 84 ARG+ QG 4.36
HN 84 ARG+ QD 5.32
HN 85 SER HN 4.48 5
HN 84 ARG+ HB2 5.00
HN 84 ARG+ HG2 5.00
HN 85 SER HB2 5.50
HN 86 LYS+ HN 5.22
85 SER
HN 85 SER HA 2.91
HN 85 SER QB 3.66
HN 86 LYS+ HN 3.26 5
HA 88 ALA HN 5.00
HB2 86 LYS+ HN 5.00
86 LYS+
HN 86 LYS+ QB 3.62
HN 86 LYS+ QG 4.61
HN 87 ILE HN 3.08 5
HN 87 ILE HB 4.37
HA 87 ILE HN 5.00
HA 87 ILE HB 5.56
87 ILE
HN 87 ILE HA 2.92
HN 87 ILE HB 3.58
HN 87 ILE HG21 4.20
HN 87 ILE HD11 3.80
HN 88 ALA HN 4.04
HN 88 ALA HB2 4.20
88 ALA
HN 88 ALA HA 2.87
HA 88 ALA HB2 5.00
HA 89 LYS+ HG2 5.00
HN 88 ALA HB2 3.14
95 HEM
FE 63 HIS NE2 2.00 10
FE 39 HIS NE2 2.02 10
HA 40 PRO QD 5.66
HA 41 GLY QA 5.17
HA 61 VAL HG21 5.49
HA 63 HIS HA 4.86
HB 35 TYR HE1 4.76
HB 35 TYR HH 5.10
HB 67 ALA HA 5.50
HB 67 ALA HB1 3.09
HB 70 LEU HG 5.45
HB 70 LEU HD21 3.61
HC 95 HEM HAB 3.55
HC 95 HEM HBB1 4.25
HC 23 VAL HG21 4.76
HC 25 LEU HD11 4.73
HC 25 LEU HD21 4.11
HC 32 LEU HD11 3.27
HC 46 LEU HD11 5.07
HC 46 LEU HD21 3.10
HC 54 ALA HB1 5.50
HC 58 PHE QB 5.47
HC 58 PHE HD1 5.51
HD 95 HEM HAC 2.96
HD 41 GLY HA1 5.47
HD 41 GLY HA2 5.50
HD 41 GLY QA 5.71
HD 45 VAL HB 5.13
HD 45 VAL HG11 4.00
HD 45 VAL HG21 3.24
HD 46 LEU HD21 5.35
HD 61 VAL HB 5.50
HD 61 VAL HG11 2.60
HD 61 VAL HG21 3.49
HD 63 HIS HE1 4.72
HMA1 67 ALA HA 4.92
HMA1 67 ALA HB1 4.12
HMB1 95 HEM HAB 3.80
HMB1 95 HEM HBB1 4.33
HMB1 35 TYR HE1 3.33
HMB1 35 TYR HH 4.85
HMB1 67 ALA HA 4.27
HMB1 70 LEU HG 4.07
HMB1 71 SER HN 4.01
HMB1 71 SER HA 4.53
HMB1 74 TYR HD1 4.30
HMB1 74 TYR HE1 4.57
HAB 23 VAL HG11 5.27
HAB 25 LEU HD21 5.50
HAB 32 LEU QB 4.18
HAB 32 LEU HD11 4.23
HAB 35 TYR QB 5.31
HAB 35 TYR HD1 5.47
HAB 46 LEU HD21 5.01
HBB1 25 LEU HD11 5.53
HBB1 25 LEU HD21 4.18
HBB1 32 LEU QB 5.57
HBB1 35 TYR HD1 5.70
HBB1 71 SER HA 5.50
HBB1 71 SER QB 5.54
HBB2 25 LEU HD21 4.18
HBB2 30 TYR HD1 4.71
HBB2 32 LEU QB 4.92
HMC1 95 HEM HAC 4.70
HMC1 95 HEM HBC1 3.27
HMC1 95 HEM HBC2 4.38
HMC1 25 LEU HD21 5.36
HMC1 32 LEU HD11 4.00
HMC1 46 LEU HD11 5.05
HMC1 46 LEU HD21 2.40
HMC1 54 ALA HB1 3.46
HMC1 58 PHE QB 5.40
HAC 45 VAL HG21 4.48
HAC 46 LEU HD21 4.99
HAC 57 ASN QB 4.02
HAC 61 VAL HG11 3.51
HAC 61 VAL HG21 4.66
HAC 63 HIS HE1 4.38
HBC1 46 LEU HD21 3.83
HBC1 49 GLN QG 4.92
HBC1 57 ASN HB2 4.88
HBC1 57 ASN HB3 4.82
HBC1 57 ASN QB 4.50
HBC2 45 VAL HG21 3.48
HBC2 49 GLN QG 5.48
HBC2 57 ASN HB2 4.38
HBC2 57 ASN HB3 4.38
HBC2 61 VAL HG21 5.65
HMD1 45 VAL HG11 3.48
HMD1 61 VAL HG11 3.80
HMD1 61 VAL HG21 5.29
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