NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
557091 2lya 18715 cing 1-original 1 DYANA/DIANA distance NOE simple


10 GLY H 11 GLY H 2.9 1.00E+00
11 GLY H 12 GLU  H 2.9 1.00E+00
12 GLU  H 13 LEU H 2.9 1.00E+00
13 LEU H 14 ASP  H 2.9 1.00E+00
14 ASP  H 15 LYS  H 2.9 1.00E+00
15 LYS  H 16 TRP H 2.9 1.00E+00
16 TRP H 17 GLU  H 2.9 1.00E+00
17 GLU  H 18 LYS  H 2.9 1.00E+00
18 LYS  H 19 ILE H 2.9 1.00E+00

10 GLY H 12 GLU  H 5.0 1.00E+00
11 GLY H 13 LEU H 5.0 1.00E+00
12 GLU  H 14 ASP  H 5.0 1.00E+00
13 LEU H 15 LYS  H 5.0 1.00E+00
14 ASP  H 16 TRP H 5.0 1.00E+00
15 LYS  H 17 GLU  H 5.0 1.00E+00


13 LEU H 16 TRP H 5.0 1.00E+00
14 ASP  H 17 GLU  H 5.0 1.00E+00

9 SER HA 10 GLY H 2.7 1.00E+00
10 GLY HA3 11 GLY H 2.7 1.00E+00

12 GLU HA 14 ASP H 5.0 1.00E+00 
13 LEU HA 15 LYS H 5.0 1.00E+00 
14 ASP HA 16 TRP H 5.0 1.00E+00 
15 LYS HA 17 GLU H 5.0 1.00E+00 
16 TRP HA 18 LYS H 5.0 1.00E+00 
17 GLU HA 19 ILE H 5.0 1.00E+00 

10 GLY HA2 13 LEU H 5.0 1.00E+00 
11 GLY HA2 14 ASP  H 5.0 1.00E+00
12 GLU  HA 15 LYS  H 5.0 1.00E+00
13 LEU HA 16 TRP H 5.0 1.00E+00
14 ASP  HA 17 GLU  H 5.0 1.00E+00
15 LYS HA 18 LYS H 5.0 1.00E+00 
16 TRP HA 19 ILE H 5.0 1.00E+00 

9 SER HA 13 LEU H 5.0 1.00E+00 
10 GLY HA2 14 ASP H 5.0 1.00E+00 
12 GLU HA 16 TRP H 5.0 1.00E+00 
13 LEU HA 17 GLU H 5.0 1.00E+00 
10 GLY HA2 13 LEU HB2 3.3 1.00E+00
10 GLY HA2 13 LEU HB3 3.3 1.00E+00
11 GLY HA2 14 ASP  QB 3.3 1.00E+00
12 GLU  HA 15 LYS  QB 3.3 1.00E+00
13 LEU HA 16 TRP HB2 3.3 1.00E+00 
13 LEU HA 16 TRP HB3 2.7 1.00E+00 
14 ASP HA 17 GLU QB 3.3 1.00E+00


19 ILE HA 20 ARG  H 2.7 1.00E+00
20 ARG  HA 21 LEU H 2.7 1.00E+00
21 LEU H 22 ARG  H 2.7 1.00E+00
22 ARG  HA 23 PRO HD2 2.9 1.00E+00
22 ARG  HA 23 PRO HD3 2.9 1.00E+00
24 GLY H 25 GLY H 3.3 1.00E+00
25 GLY HA2 26 LYS  H 2.7 1.00E+00
25 GLY HA3 26 LYS  H 2.7 1.00E+00
26 LYS  H 27 LYS  H 2.7 1.00E+00
27 LYS  HA 28 GLN H 2.7 1.00E+00
28 GLN HA 29 TYR H 2.7 1.00E+00
29 TYR HA 30 LYS  H 2.7 1.00E+00

17 GLU HA 29 TYR HA 5.0 1.00E+00
17 GLU HA 30 LYS HA 5.0 1.00E+00
20 ARG  HA 28 GLN HA 2.7 1.00E+00

17 GLU HA 29 TYR H 5.0 1.00E+00
18 LYS HA 29 TYR H 5.0 1.00E+00
20 ARG  HA 29 TYR H 5.0 1.00E+00
21 LEU H 28 GLN HA 3.3 1.00E+00
22 ARG H 25 GLY HA3 5.0 1.00E+00
23 PRO HA 25 GLY H 5.0 1.00E+00

19 ILE H 29 TYR H 5.0 1.00E+00
20 ARG H 97 THR H 5.0 1.00E+00
21 LEU H 27 LYS  H 5.0 1.00E+00
22 ARG  H 25 GLY  H 5.0 1.00E+00


31 LEU H 32 LYS  H 2.9 1.00E+00
32 LYS  H 33 HISB H 2.9 1.00E+00
33 HISB H 34 ILE H 2.9 1.00E+00
34 ILE H 35 VAL H 2.9 1.00E+00
35 VAL H 36 TRP H 2.9 1.00E+00
36 TRP H 37 ALA H 2.9 1.00E+00
37 ALA H 38 SER H 2.9 1.00E+00
38 SER H 39 ARG  H 2.9 1.00E+00
39 ARG  H 40 GLU  H 2.9 1.00E+00
40 GLU  H 41 LEU H 2.9 1.00E+00
41 LEU H 42 GLU  H 2.9 1.00E+00
42 GLU  H 43 ARG  H 2.9 1.00E+00
43 ARG  H 44 PHE H 2.9 1.00E+00
44 PHE H 45 ALA H 2.9 1.00E+00

31 LEU H 33 HISB H 5.0 1.00E+00
32 LYS  H 34 ILE H 5.0 1.00E+00
33 HISB H 35 VAL H 5.0 1.00E+00
34 ILE H 36 TRP H 5.0 1.00E+00
35 VAL H 37 ALA H 5.0 1.00E+00
36 TRP H 38 SER H 5.0 1.00E+00
37 ALA H 39 ARG  H 5.0 1.00E+00
38 SER H 40 GLU  H 5.0 1.00E+00
39 ARG  H 41 LEU H 5.0 1.00E+00
40 GLU  H 42 GLU  H 5.0 1.00E+00
41 LEU H 43 ARG  H 5.0 1.00E+00
42 GLU  H 44 PHE H 5.0 1.00E+00
43 ARG  H 45 ALA H 5.0 1.00E+00
44 PHE H 46 VAL H 5.0 1.00E+00

30 LYS  H 33 HISB H 5.0 1.00E+00
31 LEU H 34 ILE H 5.0 1.00E+00
32 LYS  H 35 VAL H 5.0 1.00E+00
35 VAL H 38 SER H 5.0 1.00E+00
36 TRP H 39 ARG  H 5.0 1.00E+00
37 ALA H 40 GLU  H 5.0 1.00E+00
38 SER H 41 LEU H 5.0 1.00E+00
40 GLU  H 43 ARG  H 5.0 1.00E+00
41 LEU H 44 PHE H 5.0 1.00E+00

30 LYS  HA 31 LEU H 2.7 1.00E+00

43 ARG  HA 45 ALA H 5.0 1.00E+00

31 LEU HA 34 ILE H 5.0 1.00E+00
32 LYS  HA 35 VAL H 5.0 1.00E+00
33 HISB HA 36 TRP H 5.0 1.00E+00
34 ILE HA 37 ALA H 5.0 1.00E+00
35 VAL HA 38 SER H 5.0 1.00E+00
36 TRP HA 39 ARG  H 5.0 1.00E+00
37 ALA HA 40 GLU H 5.0 1.00E+00
38 SER HA 41 LEU H 5.0 1.00E+00
39 ARG HA 42 GLU H 5.0 1.00E+00
40 GLU  HA 43 ARG  H 5.0 1.00E+00
41 LEU HA 44 PHE H 5.0 1.00E+00
42 GLU  HA 45 ALA H 5.0 1.00E+00

32 LYS  HA 36 TRP H 5.0 1.00E+00
33 HISB HA 37 ALA H 5.0 1.00E+00

31 LEU HA 34 ILE HB 3.3 1.00E+00
32 LYS  HA 35 VAL HB 3.3 1.00E+00
33 HISB HA 36 TRP QB 3.3 1.00E+00
34 ILE HA 37 ALA QB 3.3 1.00E+00
35 VAL HA 38 SER QB 3.3 1.00E+00
36 TRP HA 39 ARG  QB 3.3 1.00E+00
37 ALA HA 40 GLU  HB2 3.3 1.00E+00
37 ALA HA 40 GLU  HB3 3.3 1.00E+00
38 SER HA 41 LEU QB 3.3 1.00E+00
39 ARG  HA 42 GLU  QB 3.3 1.00E+00
40 GLU  HA 43 ARG  QB 3.3 1.00E+00
41 LEU HA 44 PHE HB2 5.0 1.00E+00

45 ALA HA 46 VAL H 3.3 1.00E+00
46 VAL HA 47 ASN H 2.7 1.00E+00
47 ASN HA 48 PRO HD3 2.7 1.00E+00
47 ASN HA 48 PRO HD2 2.7 1.00E+00

49 GLY H 50 LEU H 2.7 1.00E+00    
50 LEU H 51 LEU H 2.7 1.00E+00    
51 LEU H 52 GLU  H 2.7 1.00E+00    
52 GLU  H 53 THR H 2.7 1.00E+00    

49 GLY H 51 LEU H 5.0 1.00E+00    
50 LEU H 52 GLU  H 5.0 1.00E+00    
51 LEU H 53 THR H 5.0 1.00E+00    

52 GLU  HA 53 THR H 3.3 1.00E+00

48 PRO HA 50 LEU H 5.0 1.00E+00

50 LEU HA 53 THR H 5.0 1.00E+00    

48 PRO HA 51 LEU QB 5.0 1.00E+00 


54 SER H 55 GLU  H 2.9 1.00E+00
55 GLU  H 56 GLY H 2.9 1.00E+00
56 GLY H 57 CYS H 2.9 1.00E+00
57 CYS H 58 ARG  H 2.9 1.00E+00
58 ARG  H 59 GLN H 2.9 1.00E+00
59 GLN H 60 ILE H 2.9 1.00E+00
60 ILE H 61 LEU H 2.9 1.00E+00
61 LEU H 62 GLY H 2.9 1.00E+00
62 GLY H 63 GLN H 2.9 1.00E+00
63 GLN H 64 LEU H 2.9 1.00E+00
64 LEU H 65 GLN H 2.9 1.00E+00

53 THR H 55 GLU  H 5.0 1.00E+00
54 SER H 56 GLY H 5.0 1.00E+00
55 GLU  H 57 CYS H 5.0 1.00E+00
56 GLY H 58 ARG  H 5.0 1.00E+00
57 CYS H 59 GLN H 5.0 1.00E+00
58 ARG  H 60 ILE H 5.0 1.00E+00
59 GLN H 61 LEU H 5.0 1.00E+00
60 ILE H 62 GLY H 5.0 1.00E+00
61 LEU H 63 GLN H 5.0 1.00E+00
62 GLY H 64 LEU H 5.0 1.00E+00
63 GLN H 65 GLN H 5.0 1.00E+00

53 THR H 56 GLY H 5.0 1.00E+00

53 THR H 57 CYS H 5.0 1.00E+00

53 THR HA 54 SER H 2.7 1.00E+00 

54 SER HA 57 CYS H 5.0 1.00E+00
55 GLU  HA 58 ARG  H 5.0 1.00E+00
56 GLY HA2 59 GLN H 5.0 1.00E+00
57 CYS HA 60 ILE H 5.0 1.00E+00
58 ARG  HA 61 LEU H 5.0 1.00E+00
59 GLN HA 62 GLY H 5.0 1.00E+00
60 ILE HA 63 GLN H 5.0 1.00E+00
61 LEU HA 64 LEU H 5.0 1.00E+00
62 GLY QA 65 GLN H 5.0 1.00E+00

58 ARG  HA 62 GLY H 5.0 1.00E+00

55 GLU  HA 58 ARG  QB 3.3 1.00E+00
56 GLY HA2 59 GLN QB 3.3 1.00E+00
57 CYS HA 60 ILE HB 5.0 1.00E+00
58 ARG  HA 61 LEU HB3 5.0 1.00E+00
60 ILE HA 63 GLN QB 3.3 1.00E+00
61 LEU HA 64 LEU HB3 5.0 1.00E+00
62 GLY QA 65 GLN HB2 5.0 1.00E+00


67 SER H 68 LEU H 2.9 1.00E+00
68 LEU H 69 GLN H 2.9 1.00E+00
69 GLN H 70 THR H 2.9 1.00E+00
70 THR H 71 GLY H 2.9 1.00E+00

67 SER H 69 GLN H 5.0 1.00E+00
68 LEU H 70 THR H 5.0 1.00E+00
69 GLN H 71 GLY H 5.0 1.00E+00

71 GLY HA2 72 SER H 2.7 1.00E+00
71 GLY HA3 72 SER H 3.3 1.00E+00

65 GLN HA 67 SER H 5.0 1.00E+00
66 PRO HA 68 LEU H 5.0 1.00E+00
67 SER HA 69 GLN H 5.0 1.00E+00
68 LEU HA 70 THR H 5.0 1.00E+00
69 GLN HA 71 GLY H 5.0 1.00E+00

64 LEU HA 67 SER H 5.0 1.00E+00
65 GLN HA 68 LEU H 5.0 1.00E+00
66 PRO HA 69 GLN H 5.0 1.00E+00
67 SER HA 70 THR H 5.0 1.00E+00
68 LEU HA 71 GLY H 5.0 1.00E+00


73 GLU  H 74 GLU  H 2.9 1.00E+00
74 GLU  H 75 LEU H 2.9 1.00E+00
75 LEU H 76 ARG  H 2.9 1.00E+00
76 ARG  H 77 SER H 2.9 1.00E+00
77 SER H 78 LEU H 2.9 1.00E+00
78 LEU H 79 TYR H 2.9 1.00E+00
79 TYR H 80 ASN H 2.9 1.00E+00
80 ASN H 81 THR H 2.9 1.00E+00
81 THR H 82 ILE H 2.9 1.00E+00
82 ILE H 83 ALA H 2.9 1.00E+00
83 ALA H 84 VAL H 2.9 1.00E+00
84 VAL H 85 LEU H 2.9 1.00E+00
85 LEU H 86 TYR H 2.9 1.00E+00
86 TYR H 87 CYS H 2.9 1.00E+00
87 CYS H 88 VAL H 2.9 1.00E+00
88 VAL H 89 HIS+ H 2.9 1.00E+00
89 HIS+ H 90 GLN H 2.9 1.00E+00
90 GLN H 91 ARG  H 2.9 1.00E+00
91 ARG  H 92 ILE H 2.9 1.00E+00

73 GLU  H 75 LEU H 5.0 1.00E+00
74 GLU  H 76 ARG  H 5.0 1.00E+00
75 LEU H 77 SER H 5.0 1.00E+00
76 ARG  H 78 LEU H 5.0 1.00E+00
77 SER H 79 TYR H 5.0 1.00E+00
78 LEU H 80 ASN H 5.0 1.00E+00
79 TYR H 81 THR H 5.0 1.00E+00
80 ASN H 82 ILE H 5.0 1.00E+00
81 THR H 83 ALA H 5.0 1.00E+00
83 ALA H 85 LEU H 5.0 1.00E+00
84 VAL H 86 TYR H 5.0 1.00E+00
85 LEU H 87 CYS H 5.0 1.00E+00
86 TYR H 88 VAL H 5.0 1.00E+00
87 CYS H 89 HIS+ H 5.0 1.00E+00
88 VAL H 90 GLN H 5.0 1.00E+00
89 HIS+ H 91 ARG  H 5.0 1.00E+00
90 GLN H 92 ILE H 5.0 1.00E+00

72 SER H 75 LEU H 5.0 1.00E+00
73 GLU  H 76 ARG  H 5.0 1.00E+00
75 LEU H 78 LEU H 5.0 1.00E+00
76 ARG  H 79 TYR H 5.0 1.00E+00
77 SER H 80 ASN H 5.0 1.00E+00

72 SER HA 73 GLU  H 2.7 1.00E+00

72 SER HB2 74 GLU  H 5.0 1.00E+00

73 GLU  HA 76 ARG  H 5.0 1.00E+00
74 GLU  HA 77 SER H 5.0 1.00E+00
75 LEU HA 78 LEU H 5.0 1.00E+00
76 ARG  HA 79 TYR H 5.0 1.00E+00
77 SER HA 80 ASN H 5.0 1.00E+00
78 LEU HA 81 THR H 5.0 1.00E+00
79 TYR HA 82 ILE H 5.0 1.00E+00
80 ASN HA 83 ALA H 5.0 1.00E+00
81 THR HA 84 VAL H 5.0 1.00E+00
82 ILE HA 85 LEU H 5.0 1.00E+00
83 ALA HA 86 TYR H 5.0 1.00E+00
84 VAL HA 87 CYS H 5.0 1.00E+00    
85 LEU HA 88 VAL H 5.0 1.00E+00    
86 TYR HA 89 HIS+ H 5.0 1.00E+00
87 CYS HA 90 GLN H 5.0 1.00E+00
88 VAL HA 91 ARG  H 5.0 1.00E+00

75 LEU HA 79 TYR H 5.0 1.00E+00
76 ARG  HA 80 ASN H 5.0 1.00E+00   
80 ASN HA 84 VAL H 5.0 1.00E+00   
82 ILE HA 86 TYR H 5.0 1.00E+00   
85 LEU HA 89 HIS+ H 5.0 1.00E+00   
86 TYR HA 90 GLN H 5.0 1.00E+00   

73 GLU  HA 76 ARG  QB 3.3 1.00E+00
74 GLU  HA 77 SER QB 5.0 1.00E+00
75 LEU HA 78 LEU QB 3.3 1.00E+00
76 ARG  HA 79 TYR QB 3.3 1.00E+00
77 SER HA 80 ASN QB 3.3 1.00E+00
78 LEU HA 81 THR HB 3.3 1.00E+00
79 TYR HA 82 ILE HB 5.0 1.00E+00
80 ASN HA 83 ALA QB 3.3 1.00E+00
81 THR HA 84 VAL HB 3.3 1.00E+00
82 ILE HA 85 LEU QB 3.3 1.00E+00
83 ALA HA 86 TYR QB 3.3 1.00E+00
84 VAL HA 87 CYS QB 3.3 1.00E+00
85 LEU HA 88 VAL HB 3.3 1.00E+00
86 TYR HA 89 HIS+ QB 3.3 1.00E+00
87 CYS HA 90 GLN QB 3.3 1.00E+00

91 ARG  H 92 ILE H 2.7 1.00E+00
92 ILE HA 93 ASP  H 2.7 1.00E+00
93 ASP  HA 94 VAL H 2.7 1.00E+00
94 VAL HA 95 LYS  H 2.7 1.00E+00
95 LYS  H 96 ASP  H 2.7 1.00E+00


19 ILE HA 95 LYS  HA 5.0 1.00E+00
20 ARG  HA 96 ASP  HA 5.0 1.00E+00

95 LYS  H 96 ASP  H 2.9 1.00E+00
97 THR H 98 LYS H 2.9 1.00E+00

94 VAL HA 95 LYS  H 2.7 1.00E+00
94 VAL HA 96 ASP  H 5.0 1.00E+00
96 ASP  HA 97 THR H 2.7 1.00E+00

20 ARG  H 96 ASP  HA 2.7 1.00E+00
97 THR H 21 LEU HA 5.0 1.00E+00
97 THR H 22 ARG HA 5.0 1.00E+00
97 THR H 23 PRO HD3 5.0 1.00E+00

20 ARG  H 97 THR H 5.0 1.00E+00
20 ARG  H 96 ASP  H 5.0 1.00E+00


97 THR H 98 LYS  H 2.9 1.00E+00
98 LYS  H 99 GLU  H 2.9 1.00E+00
99 GLU  H 100 ALA H 2.9 1.00E+00
100 ALA H 101 LEU H 2.9 1.00E+00
101 LEU H 102 ASP  H 2.9 1.00E+00
102 ASP  H 103 LYS  H 2.9 1.00E+00
103 LYS  H 104 ILE H 2.9 1.00E+00
104 ILE H 105 GLU  H 2.9 1.00E+00
105 GLU  H 106 GLU  H 2.9 1.00E+00
106 GLU  H 107 GLU  H 2.9 1.00E+00
107 GLU  H 108 GLN H 2.9 1.00E+00
108 GLN H 109 ASN H 2.9 1.00E+00
109 ASN H 110 LYS  H 2.9 1.00E+00 
110 LYS  H 111 SER H 2.9 1.00E+01
111 SER H 112 LYS  H 2.9 1.00E+00
112 LYS  H 113 LYS  H 2.9 1.00E+00
113 LYS  H 114 LYS  H 2.9 1.00E+00
114 LYS  H 115 ALA H 2.9 1.00E+00
115 ALA H 116 GLN H 2.9 1.00E+00
116 GLN H 117 GLN H 2.9 1.00E+00
117 GLN H 118 ALA H 2.9 1.00E+00
118 ALA H 119 ALA H 2.9 1.00E+00

97 THR H 99 GLU  H 5.0 1.00E+00
98 LYS  H 100 ALA H 5.0 1.00E+00
99 GLU  H 101 LEU H 5.0 1.00E+00
100 ALA H 102 ASP  H 5.0 1.00E+00
101 LEU H 103 LYS  H 5.0 1.00E+00
102 ASP  H 104 ILE H 5.0 1.00E+00
103 LYS  H 105 GLU  H 5.0 1.00E+00
104 ILE H 106 GLU  H 5.0 1.00E+00
105 GLU  H 107 GLU  H 5.0 1.00E+00
106 GLU  H 108 GLN H 5.0 1.00E+00
107 GLU  H 109 ASN H 5.0 1.00E+00
108 GLN H 110 LYS  H 5.0 1.00E+00
109 ASN H 111 SER H 5.0 1.00E+00
110 LYS  H 112 LYS  H 5.0 1.00E+00
111 SER H 113 LYS  H 5.0 1.00E+00
112 LYS  H 114 LYS  H 5.0 1.00E+00
113 LYS  H 115 ALA H 5.0 1.00E+00
114 LYS  H 116 GLN H 5.0 1.00E+00
115 ALA H 117 GLN H 5.0 1.00E+00
116 GLN H 118 ALA H 5.0 1.00E+00
117 GLN H 119 ALA H 5.0 1.00E+00
120 ALA H 122 THR H 5.0 1.00E+00

98 LYS  H 101 LEU H 5.0 1.00E+00
99 GLU  H 102 ASP  H 5.0 1.00E+00
100 ALA H 103 LYS  H 5.0 1.00E+00
102 ASP  H 105 GLU  H 5.0 1.00E+00
103 LYS  H 106 GLU  H 5.0 1.00E+00
104     ILE     H       107     GLU     H       5.0     1.00E+00
105     GLU     H       108     GLN     H       5.0     1.00E+00
106     GLU     H       109     ASN     H       5.0     1.00E+00

96 ASP  H 100 ALA H 5.0 1.00E+00

97 THR HA 100 ALA H 5.0 1.00E+00
98 LYS  HA 101 LEU H 5.0 1.00E+00
99 GLU  HA 102 ASP  H 5.0 1.00E+00
100 ALA HA 103 LYS  H 5.0 1.00E+00
101 LEU HA 104 ILE H 5.0 1.00E+00
102 ASP HA 105 GLU H 5.0 1.00E+00
103 LYS  HA 106 GLU  H 5.0 1.00E+00
104 ILE HA 107 GLU  H 5.0 1.00E+00
105     GLU     HA      108     GLN     H       5.0     1.00E+00
106     GLU     HA      109     ASN     H       5.0     1.00E+00

98 LYS  HA 102 ASP  H 5.0 1.00E+00 
101 LEU HA 105 GLU  H 5.0 1.00E+00 

97 THR HA 100 ALA QB 3.3 1.00E+00
98 LYS  HA 101 LEU QB 3.3 1.00E+00
99 GLU  HA 102 ASP  QB 3.3 1.00E+00
100 ALA HA 103 LYS  QB 3.3 1.00E+00
101 LEU HA 104 ILE HB 3.3 1.00E+00
102 ASP  HA 105 GLU  QB 3.3 1.00E+00
103 LYS  HA 106 GLU  QB 3.3 1.00E+00
104 ILE HA 107 GLU  QB 3.3 1.00E+00
105 GLU  HA 108 GLN QB 3.3 1.00E+00
106 GLU  HA 109 ASN QB 3.3 1.00E+00
108 GLN HA 111 SER QB 3.3 1.00E+00
109 ASN HA 112 LYS  QB 3.3 1.00E+00
111 SER HA 114 LYS  QB 3.3 1.00E-01
112 LYS  HA 115 ALA QB 3.3 1.00E-01
116 GLN HA 119 ALA QB 3.8 1.00E-01
117 GLN HA 120 ALA QB 3.8 1.00E-01
118 ALA HA 121 ASP  QB 5.0 1.00E-01
119 ALA HA 122 THR QG2 5.0 1.00E-01


7 VAL H 7 VAL HB 2.7 1.00E+00
7 VAL H 8 LEU H 2.7 1.00E+00
7 VAL HB 8 LEU H 2.7 1.00E+00
7 VAL HB 34 ILE QG2 3.3 1.00E+00 
7 VAL HB 34 ILE QD1 5.0 1.00E+00 
7 VAL QG2 34 ILE QG2 3.3 1.00E+00
7 VAL QG1 34 ILE QG2 3.3 1.00E+00
7 VAL QG1 51 LEU QD1 5.0 1.00E+00
7 VAL QG2 51 LEU QD1 5.0 1.00E+00
7 VAL HA 52 GLU  HA 2.7 1.00E+00
7 VAL QG1 85 LEU QD2 3.3 1.00E+00
7 VAL QG1 85 LEU QD1 5.0 1.00E+00
7 VAL QG1 89 HIS+ HE1 3.3 1.00E+00 

8 LEU HA 8 LEU QD2 2.7 1.00E+00
8 LEU HG 8 LEU H 3.3 1.00E+00 
8 LEU HA 9 SER H 2.7 1.00E+00
8 LEU QD2 9 SER H 5.0 1.00E+00
8 LEU QD1 12 GLU  QB 5.0 1.00E+00
8 LEU QD2 12 GLU  QB 5.0 1.00E+00
8 LEU HB3 13 LEU H 3.3 1.00E+00 
8 LEU QD1 13 LEU H 5.0 1.00E+00 
8 LEU QD1 13 LEU HA 2.7 1.00E+00 
8 LEU QB 13 LEU QQD 5.0 1.00E+00 
8 LEU QD1 16 TRP H 5.0 1.00E+00 
8 LEU QD1 16 TRP HD1 5.0 1.00E+00 
8 LEU QD1 16 TRP HB2 2.7 1.00E+00 
8 LEU QD1 16 TRP HB3 2.7 1.00E+00 
8 LEU H 34 ILE QD1 5.0 1.00E+00
8 LEU HG 34 ILE QD1 3.3 1.00E+00
8 LEU QD1 34 ILE QD1 3.3 1.00E+00 
8 LEU QD2 85 LEU QD1 5.0 1.00E+00
8 LEU QD2 85 LEU QD2 5.0 1.00E+00
8 LEU QD2 88 VAL QG1 5.0 1.00E+00
8 LEU QD2 89 HIS+ HE1 2.7 1.00E+00 
8 LEU HG 89 HIS+ HE1 5.0 1.00E+00 
8 LEU H 89 HIS+ HE1 5.0 1.00E+00 

9 SER HA 9 SER HB2 2.7 1.00E+00
9 SER HA 9 SER HB3 2.7 1.00E+00
9 SER H 9 SER HB3 3.3 1.00E+00
9 SER HB2 10 GLY H 3.3 1.00E+00
9 SER H 12 GLU  HB2 2.7 1.00E+00
9 SER H 12 GLU  HG3 2.7 1.00E+00
9 SER H 12 GLU H 5.0 1.00E+00
9 SER H 13 LEU H 5.0 1.00E+00
9 SER HB2 12 GLU H 5.0 1.00E+00
9 SER HB3 12 GLU H 5.0 1.00E+00
9 SER H 89 HIS+ HE1 5.0 1.00E+00 

10 GLY H 13 LEU QQD 5.5 1.00E+00 
10 GLY H 13 LEU HB2 5.5 1.00E+00 
10 GLY H 13 LEU HB3 5.5 1.00E+00 

12 GLU H 12 GLU HB2 2.7 1.00E+00
12 GLU H 12 GLU HG3 2.7 1.00E+00
12 GLU  HA 88 VAL QG1 3.3 1.00E+00




13 LEU HG 14 ASP H 5.0 1.00E+00 
13 LEU HA 16 TRP HD1 5.0 1.00E+00    
13 LEU QQD 16 TRP HD1 3.3 1.00E+00 
13 LEU QQD 17 GLU  H 5.0 1.00E+00    
13 LEU QQD 34 ILE QD1 5.0 1.00E+00

16 TRP HD1 16 TRP HB3 3.3 1.00E+00
16 TRP HE3 16 TRP HA 3.3 1.00E+00
16 TRP HE3 16 TRP HB2 3.3 1.00E+00
16 TRP HB3 17 GLU  H 2.7 1.00E+00
16 TRP HD1 17 GLU  HA 5.0 1.00E+00
16 TRP HD1 17 GLU  HG2 3.3 1.00E+00
16 TRP HD1 17 GLU  HG3 3.3 1.00E+00
16 TRP HA 19 ILE QD1 3.3 1.00E+00
16 TRP HE3 19 ILE QD1 5.0 1.00E+00
16 TRP HD1 30 LYS  H 5.0 1.00E+00
16 TRP HE1 30 LYS  H 5.0 1.00E+00
16 TRP HE1 30 LYS  HA 5.0 1.00E+00   
16 TRP HD1 30 LYS  HA 3.3 1.00E+00
16 TRP HE1 31 LEU H 5.0 1.00E+00
16 TRP HE1 31 LEU HA 3.3 1.00E+00   
16 TRP HZ2 34 ILE H 3.3 1.00E+00 
16 TRP HE1 34 ILE QD1 3.3 1.00E+00 
16 TRP HD1 34 ILE QD1 5.0 1.00E+00 
16 TRP HZ2 34 ILE QD1 5.0 1.00E+00 
16 TRP HE1 34 ILE HG13 3.3 1.00E+00
16 TRP HE1 34 ILE HG12 5.0 1.00E+00
16 TRP HE1 34 ILE H 5.0 1.00E+00 
16 TRP HH2 81 THR QG2 2.7 1.00E+00
16 TRP HH2 81 THR HA 5.0 1.00E+00
16 TRP HZ3 84 VAL QG1 2.7 1.00E+00
16 TRP HZ3 84 VAL HB 2.7 1.00E+00
16 TRP HE3 85 LEU HA 5.0 1.00E+00
16 TRP HZ3 85 LEU HA 3.3 1.00E+00
16 TRP HZ3 85 LEU QD1 3.3 1.00E+00
16 TRP H 88 VAL QG1 5.0 1.00E+00
16 TRP H 88 VAL QG2 5.0 1.00E+00 
16 TRP HA 88 VAL QG1 5.0 1.00E+00
16 TRP HA 88 VAL QG2 5.0 1.00E+00
16 TRP HE3 88 VAL QG2 3.3 1.00E+00
16 TRP HE3 88 VAL QG1 5.0 1.00E+00   

17 GLU QB 18 LYS H 3.3 1.00E+00
17 GLU  HA 29 TYR  HB2 5.0 1.00E+00
17 GLU  HA 29 TYR  HB3 5.0 1.00E+00

18 LYS HA 28 GLN HB3 5.0 1.00E+00
18 LYS HA 28 GLN HG2 5.0 1.00E+00

19 ILE H 28 GLN QB 5.0 1.00E+00
19 ILE H 29 TYR HD2 5.0 1.00E+00 
19 ILE HB 29 TYR HD2 2.7 1.00E+00
19 ILE QG2 29 TYR HD2 2.7 1.00E+00
19 ILE QG2 29 TYR HE2 3.3 1.00E+00
19 ILE QG2 84 VAL QG2 5.0 1.00E+00
19 ILE QG2 84 VAL QG1 5.0 1.00E+00
19 ILE QD1 84 VAL QG1 3.3 1.00E+00
19 ILE HG12 94 VAL QG2 3.3 1.00E+00  
19 ILE QD1 94 VAL QQG 5.0 1.00E+00
19 ILE QG2 96 ASP HA 2.7 1.00E+00
19 ILE QG2 96 ASP H 5.0 1.00E+00
19 ILE QG2 97 THR H 5.0 1.00E+00

20 ARG  QB 22 ARG  H 3.3 1.00E+00

21 LEU HA 21 LEU QD2 2.7 1.00E+00
21 LEU HG 21 LEU H 2.7 1.00E+00  
21 LEU HG 28 GLN HA 5.0 1.00E+00  
21 LEU QD2 29 TYR QE 3.3 1.00E+00
21 LEU QD2 29 TYR QD 3.3 1.00E+00
21 LEU QD2 29 TYR HA 3.3 1.00E+00
21 LEU QD2 29 TYR H 5.0 1.00E+00
21 LEU QD2 33 HISB HE1 5.0 1.00E+00
21 LEU QD1 33 HISB HE1 5.0 1.00E+00
21 LEU HA 97 THR H 5.0 1.00E+00

22 ARG H 96 ASP HB2 5.0 1.00E+00
22 ARG H 96 ASP HB3 5.0 1.00E+00
22 ARG H 97 THR H 5.0 1.00E+00
22 ARG HA 97 THR H 5.0 1.00E+00
22 ARG HA 97 THR HB 5.0 1.00E+00
22 ARG HA 98 LYS H 5.0 1.00E+00

23 PRO HB2 24 GLY H 3.3 1.00E+00
23 PRO HD2 24 GLY H 5.0 1.00E+00
23 PRO HA 96 ASP  HB2 3.3 1.00E+00
23 PRO HA 96 ASP  HB3 3.3 1.00E+00
23 PRO HA 96 ASP HB2 3.3 1.00E+00
23 PRO HA 96 ASP HB3 3.3 1.00E+00
23 PRO HA 97 THR H 5.0 1.00E+00
23 PRO HD3 97 THR HB 5.0 1.00E+00
23 PRO HA 98 LYS H 5.0 1.00E+00

26      LYS     H       26      LYS     QB      2.7     1.00E+00

27 LYS H 27 LYS QB 2.7 1.00E+00

29 TYR H 29 TYR HD2 3.3 1.00E+00
29 TYR HD1 33 HISB HE1 5.0 1.00E+00
29 TYR HA 33 HISB HE1 3.3 1.00E+00
29 TYR HD1 33 HISB QB 2.7 1.00E+00
29 TYR HA 33 HISB QB 5.0 1.00E+00
29 TYR HE1 81 THR HA 3.3 1.00E+00
29 TYR HE1 81 THR QG2 3.3 1.00E+00
29 TYR HD1 81 THR QG2 5.0 1.00E+00
29 TYR HE2 84 VAL QG1 5.0 1.00E+00
29 TYR HE2 84 VAL QG2 5.0 1.00E+00
29 TYR HE2 84 VAL HB 5.0 1.00E+00
29 TYR HD2 84 VAL HB 5.0 1.00E+00
29 TYR HE2 97 THR H 5.0 1.00E+00
29 TYR HE2 97 THR HA 5.0 1.00E+00
29 TYR HE2 97 THR QG2 5.0 1.00E+00

30 LYS  H 33 HISB HE1 2.7 1.00E+00
30 LYS  QB 33 HISB HE1 3.3 1.00E+00

31 LEU HA 31 LEU QQD 2.7 1.00E+00
31 LEU H 31 LEU QQD 3.3 1.00E+00
31 LEU HA 34 ILE QD1 3.3 1.00E+00
31 LEU QQD 34 ILE QD1 5.0 1.00E+00

33 HISB HD2 33 HISB H 5.0 1.00E+00
33 HISB HD2 33 HISB HA 2.9 1.00E+00
33 HISB HA 36 TRP HE3 5.0 1.00E+00

34 ILE H 34 ILE HB 2.7 1.00E+00
34 ILE HB 35 VAL H 2.7 1.00E+00
34 ILE QG2 35 VAL QG2 5.0 1.00E+00
34 ILE HA 81 THR QG2 5.0 1.00E+00
34 ILE QD1 85 LEU QD1 5.0 1.00E+00
34 ILE QG2 85 LEU QD1 5.0 1.00E+00

35 VAL HA 35 VAL QG1 2.7 1.00E+00
35 VAL HA 35 VAL QG2 2.7 1.00E+00
35 VAL H 35 VAL QG2 2.7 1.00E+00
35 VAL H 35 VAL HB 2.7 1.00E+00
35 VAL HB 36 TRP H 2.7 1.00E+00

36 TRP HE3 37 ALA H 3.3 1.00E+00
36 TRP HZ2 74 GLU  HA 5.0 1.00E+00
36 TRP HZ2 74 GLU  QG 5.0 1.00E+00
36 TRP HH2 78 LEU H 3.3 1.00E+00
36 TRP HZ3 78 LEU HA 2.7 1.00E+00
36 TRP HZ3 78 LEU QD1 5.0 1.00E+00
36 TRP HZ3 81 THR H 5.0 1.00E+00

37 ALA QB 38 SER H 3.3 1.00E+00
37 ALA HA 78 LEU QD1 2.7 1.00E+00
37 ALA QB 78 LEU QD1 3.3 1.00E+00
37 ALA QB 81 THR QG2 3.3 1.00E+00
37 ALA QB 81 THR HB 5.0 1.00E+00

38 SER HA 51 LEU QD1 2.7 1.00E+00
38 SER H 51 LEU QD1 3.3 1.00E+00

40 GLU  QB 78 LEU QD1 3.3 1.00E+00

41 LEU HA 46 VAL HB 3.3 1.00E+00
41 LEU QD2 46 VAL HB 2.7 1.00E+00
41 LEU HA 46 VAL QG2 5.0 1.00E+00
41 LEU QD1 48 PRO HA 2.7 1.00E+00
41 LEU QD1 48 PRO HB3 5.0 1.00E+00
41 LEU QD1 51 LEU HG 2.7 1.00E+00
41 LEU QD1 51 LEU QD2 3.3 1.00E+00
41 LEU QD1 60 ILE QD1 3.3 1.00E+00
41 LEU QD1 60 ILE QG2 5.0 1.00E+00
41 LEU QD2 64 LEU QD1 5.0 1.00E+00
41 LEU H 78 LEU QD1 5.0 1.00E+00
41 LEU QD2 78 LEU QD1 5.0 1.00E+00
41 LEU QD2 78 LEU QD2 5.0 1.00E+00

42 GLU  H 48 PRO HB3 5.0 1.00E+00
42 GLU  H 48 PRO HG3 5.0 1.00E+00
42 GLU  H 48 PRO HD3 5.0 1.00E+00

44 PHE HB2 44 PHE H 2.7 1.00E+00
44 PHE HB3 46 VAL QG2 5.0 1.00E+00
44 PHE HB2 46 VAL QG2 5.0 1.00E+00
44 PHE HZ 75 LEU HA 5.0 1.00E+00
44 PHE HZ 75 LEU QD1 5.0 1.00E+00


46 VAL HB 46 VAL H 2.7 1.00E+00
46 VAL HA 46 VAL QG1 2.7 1.00E+00
46 VAL HA 46 VAL QG2 2.7 1.00E+00
46 VAL H 46 VAL QG2 2.7 1.00E+00
46 VAL QG1 47 ASN H 2.7 1.00E+00
46 VAL QG2 50 LEU QD1 3.3 1.00E+00
46 VAL QG1 60 ILE HA 5.0 1.00E+00
46 VAL QG1 60 ILE QG2 5.0 1.00E+00
46 VAL QG2 63 GLN QB 5.0 1.00E+00

47 ASN HA 49 GLY H 5.0 1.00E+00
47 ASN QB 49 GLY H 5.0 1.00E+00
47 ASN QB 50 LEU QD1 5.0 1.00E+00
47 ASN H 50 LEU QD1 5.0 1.00E+00
47 ASN QB 50 LEU H 5.0 1.00E+00

48 PRO HD2 49 GLY H 2.9 1.00E+00


50 LEU H 50 LEU HG 2.7 1.00E+00
50 LEU HA 50 LEU HG 3.3 1.00E+00
50 LEU HA 50 LEU QD2 2.7 1.00E+00
50 LEU H 50 LEU HB2 2.7 1.00E+00
50 LEU HA 56 GLY HA3 3.3 1.00E+00
50 LEU QD2 56 GLY HA3 3.3 1.00E+00
50 LEU QD2 56 GLY HA2 3.3 1.00E+00

51 LEU HA 51 LEU QD2 2.7 1.00E+00
51 LEU HG 51 LEU H 2.7 1.00E+00
51 LEU HG 51 LEU HA 3.3 1.00E+00
51 LEU QD2 57 CYS HA 5.0 1.00E+00
51 LEU HA 57 CYS HA 5.0 1.00E+00
51 LEU HA 60 ILE QD1 3.3 1.00E+00
51 LEU HG 60 ILE QD1 5.0 1.00E+00
51 LEU QD2 60 ILE QD1 3.3 1.00E+00
51 LEU QD2 85 LEU QD2 3.3 1.00E+00
51 LEU QD1 85 LEU QD2 5.0 1.00E+00

52 GLU  QG 53 THR QG2 3.3 1.00E+00

53 THR H 53 THR QG2 2.7 1.00E+00
53 THR QG2 56 GLY H 5.0 1.00E+00
53 THR HA 89 HIS+ HD2 5.0 1.00E+00

54 SER HA 86 TYR HD2 3.3 1.00E+00    
54 SER HA 86 TYR HE2 5.0 1.00E+00    
54 SER QB 86 TYR HD2 5.0 1.00E+00    
54 SER QB 86 TYR HE2 5.0 1.00E+00    
54 SER HA 89 HIS+ HB2 3.3 1.00E+00
54 SER HA 89 HIS+ HB3 5.0 1.00E+00
54 SER HA 89 HIS+ HD2 3.3 1.00E+00 
54 SER H 89 HIS+ HD2 5.0 1.00E+00 
54 SER H 89 HIS+ HB3 3.3 1.00E+00 


57 CYS HB2 86 TYR HD2 2.7 1.00E+00
57 CYS HB3 86 TYR H 5.0 1.00E+00
57 CYS HB2 89 HIS+ HD2 5.0 1.00E+00

58 ARG  H 86 TYR HD2 3.3 1.00E+00
58 ARG  H 86 TYR HE2 5.0 1.00E+00
58 ARG  HA 86 TYR HD2 5.0 1.00E+00
58 ARG  HA 86 TYR HE2 5.0 1.00E+00


60 ILE H 60 ILE QD1 5.0 1.00E+00
60 ILE H 60 ILE HB 2.7 1.00E+00
60 ILE QG2 61 LEU H 5.0 1.00E+00
60 ILE HB 61 LEU H 2.7 1.00E+00
60 ILE QG2 64 LEU QD1 3.3 1.00E+00
60 ILE QG2 64 LEU HG 3.3 1.00E+00

61 LEU HA 61 LEU QD2 2.7 1.00E+00
61 LEU H 61 LEU HG 2.7 1.00E+00
61 LEU HB2 62 GLY H 3.3 1.00E+00
61 LEU HA 64 LEU QD1 3.3 1.00E+00
61 LEU HA 79 TYR HE1 3.3 1.00E+00
61 LEU HA 79 TYR HD1 3.3 1.00E+00
61 LEU QD2 79 TYR HE1 5.0 1.00E+00
61 LEU QD2 79 TYR HD1 5.0 1.00E+00
61 LEU QD2 79 TYR HA 5.0 1.00E+00
61 LEU QD2 82 ILE QG2 3.3 1.00E+00
61 LEU QD2 82 ILE HB 3.3 1.00E+00
61 LEU H 82 ILE QG2 5.0 1.00E+00
61 LEU QD2 83 ALA HA 5.0 1.00E+00
61 LEU QD1 83 ALA HA 3.3 1.00E+00
61 LEU QD2 83 ALA H 3.3 1.00E+00
61 LEU QD2 83 ALA QB 5.0 1.00E+00
61 LEU QD1 83 ALA QB 5.0 1.00E+00
61 LEU QD1 86 TYR HB2 5.0 1.00E+00
61 LEU QD1 86 TYR HB3 5.0 1.00E+00
61 LEU QD1 104 ILE QD1 5.0 1.00E+00

64 LEU HA 64 LEU HG 3.3 1.00E+00
64 LEU HA 64 LEU QD2 2.7 1.00E+00
64 LEU HA 75 LEU QD1 5.0 1.00E+00
64 LEU QD2 75 LEU QD1 5.0 1.00E+00
64 LEU QD1 78 LEU QD2 5.0 1.00E+00
64 LEU QD2 78 LEU QD2 5.0 1.00E+00
64 LEU QD1 78 LEU HG 3.3 1.00E+00
64 LEU QD1 79 TYR H 5.0 1.00E+00
64 LEU QD1 79 TYR HA 3.3 1.00E+00
64 LEU QD1 79 TYR HD1 3.3 1.00E+00
64 LEU QD1 82 ILE QD1 3.3 1.00E+00

65 GLN H 66 PRO HD2 3.3 1.00E+00
65 GLN H 66 PRO HD3 3.3 1.00E+00
65 GLN QG 79 TYR HE1 5.0 1.00E+00
65 GLN QB 79 TYR HE1 5.0 1.00E+00
65 GLN H 79 TYR HE1 5.0 1.00E+00
65 GLN H 79 TYR HD1 5.0 1.00E+00
65 GLN HA 79 TYR HE1 3.3 1.00E+00
65 GLN HA 79 TYR HD1 5.0 1.00E+00

66 PRO HD2 67 SER H 3.3 1.00E+00

67 SER QB 75 LEU QD1 5.0 1.00E+00
67 SER QB 75 LEU QD2 5.0 1.00E+00

68 LEU H 68 LEU HG 3.3 1.00E+00
68 LEU H 68 LEU HB2 2.7 1.00E+00
68 LEU HA 68 LEU QD2 2.7 1.00E+00
68 LEU HB2 69 GLN H 3.3 1.00E+00
68 LEU HA 75 LEU QD2 2.7 1.00E+00
68 LEU QD2 75 LEU QD2 3.3 1.00E+00
68 LEU QD2 76 ARG  HA 3.3 1.00E+00
68 LEU QD2 76 ARG  QG 3.3 1.00E+00
68      LEU     HG      79      TYR     HD1     5.0     1.00E+00
68      LEU     HG      79      TYR     HE1     5.0     1.00E+00
68 LEU QD1 79 TYR QE 2.7 1.00E+00
68 LEU QD2 79 TYR QD 2.7 1.00E+00
68 LEU QD2 79 TYR HB2 3.3 1.00E+00
68 LEU QD2 79 TYR HB3 3.3 1.00E+00

69 GLN HB3 70 THR H 2.7 1.00E+00


71 GLY HA3 75 LEU QD2 3.3 1.00E+00
71 GLY HA2 75 LEU QD2 5.0 1.00E+00

72 SER H 72 SER HB3 3.3 1.00E+00
72 SER HB2 73 GLU H 2.7 1.00E+00
72 SER H 75 LEU QD2 5.0 1.00E+00
72 SER H 75 LEU QB 5.0 1.00E+00

75 LEU H 75 LEU QB 2.7 1.00E+00
75 LEU HG 79 TYR H 5.0 1.00E+00 


78 LEU HA 78 LEU QD1 2.7 1.00E+00
78 LEU HB2 79 TYR H 2.7 1.00E+00
78 LEU HB3 79 TYR H 2.7 1.00E+00
78 LEU HG 82 ILE QD1 3.3 1.00E+00
78 LEU QD1 82 ILE QD1 3.3 1.00E+00

79 TYR HD2 83 ALA QB 5.0 1.00E+00
79 TYR HE2 83 ALA QB 5.0 1.00E+00
79 TYR HE2 101 LEU QD2 3.3 1.00E+00
79 TYR HD2 101 LEU QD2 3.3 1.00E+00

80 ASN HA 97 THR QG2 5.0 1.00E+00
80 ASN QB 97 THR QG2 3.3 1.00E+00
80 ASN HA 101 LEU QD2 3.3 1.00E+00

81 THR HA 81 THR QG2 2.7 1.00E+00
81 THR HB 81 THR H 2.7 1.00E+00
81 THR HB 82 ILE H 2.7 1.00E+00

82 ILE HA 82 ILE QG2 2.7 1.00E+00
82 ILE H 82 ILE HB 2.7 1.00E+00
82 ILE HB 83 ALA H 3.3 1.00E+00

83 ALA QB 100 ALA QB 5.0 1.00E+00
83 ALA QB 101 LEU HA 5.0 1.00E+00
83 ALA QB 101 LEU QD2 2.7 1.00E+00
83 ALA HA 104 ILE QD1 2.7 1.00E+00
83 ALA QB 104 ILE QD1 3.3 1.00E+00

84 VAL H 84 VAL HB 2.7 1.00E+00    
84 VAL H 84 VAL QG2 3.3 1.00E+00
84 VAL HA 84 VAL QG2 2.7 1.00E+00
84 VAL HA 84 VAL QG1 2.7 1.00E+00
84 VAL HB 85 LEU H 2.7 1.00E+00
84 VAL QG1 88 VAL QG2 5.0 1.00E+00
84 VAL QG1 94 VAL QG2 5.0 1.00E+00
84 VAL HA 94 VAL QG2 5.0 1.00E+00
84 VAL QG2 97 THR HA 2.7 1.00E+00
84 VAL QG2 100 ALA QB 3.3 1.00E+00
84 VAL H 100 ALA QB 5.0 1.00E+00
84 VAL HA 100 ALA QB 2.7 1.00E+00

85 LEU QD1 85 LEU HA 3.3 1.00E+00 
85 LEU HB2 85 LEU H 2.7 1.00E+00
85 LEU HB3 86 TYR H 3.3 1.00E+00
85 LEU HA 88 VAL HB 3.3 1.00E+00
85 LEU HG 88 VAL QG1 5.0 1.00E+00
85 LEU HG 89 HIS+ HD2 5.0 1.00E+00
85 LEU QD2 89 HIS+ HD2 5.0 1.00E+00
85 LEU QD2 89 HIS+ HE1 5.0 1.00E+00

86 TYR H 86 TYR HB2 2.7 1.00E+00
86 TYR H 86 TYR HB3 2.7 1.00E+00
86 TYR HB3 87 CYS H 2.7 1.00E+00

86 TYR HD1 87 CYS H 3.3 1.00E+00
86 TYR HA 89 HIS+ HD2 3.3 1.00E+00
86 TYR QD 90 GLN H 5.0 1.00E+00
86 TYR HD1 104 ILE QD1 2.7 1.00E+00

87 CYS HB3 92 ILE HB 2.7 1.00E+00
87 CYS HA 92 ILE HB 2.7 1.00E+00
87 CYS HB3 92 ILE H 5.0 1.00E+00
87 CYS HA 92 ILE H 5.0 1.00E+00
87 CYS HB3 92 ILE QD1 5.0 1.00E+00
87 CYS HA 92 ILE QD1 3.3 1.00E+00
87 CYS HB3 92 ILE QG2 5.0 1.00E+00
87 CYS HB3 94 VAL QG1 3.3 1.00E+00
87 CYS HB2 100 ALA QB 5.0 1.00E+00
87 CYS HA 104 ILE QD1 5.0 1.00E+00
87 CYS H 104 ILE QD1 5.0 1.00E+00

88 VAL HA 88 VAL QG1 2.7 1.00E+00
88 VAL HA 88 VAL QG2 2.7 1.00E+00
88 VAL H 88 VAL QG2 2.7 1.00E+00
88 VAL H 88 VAL HB 2.7 1.00E+00
88 VAL HB 89 HIS+ H 2.7 1.00E+00

89 HIS+ HD2 89 HIS+ HB2 3.3 1.00E+00

90 GLN HB3 92 ILE QD1 3.3 1.00E+00


92 ILE H 92 ILE HB 2.7 1.00E+00
92 ILE H 92 ILE QD1 5.0 1.00E+00
92 ILE QG2 93 ASP  H 2.7 1.00E+00
92 ILE QG2 94 VAL QQG 5.0 1.00E+00
92 ILE QG2 103 LYS  QB 5.0 1.00E+00

94 VAL H 94 VAL QG1 3.3 1.00E+00
94 VAL H 94 VAL QG2 3.3 1.00E+00
94 VAL HA 94 VAL HB 2.7 1.00E+00

94 VAL HB 95 LYS  H 3.3 1.00E+00
94 VAL HB 96 ASP  H 3.3 1.00E+00
94 VAL HB 100 ALA QB 5.0 1.00E+00
94 VAL HB 100 ALA H 3.3 1.00E+00
94 VAL HB 100 ALA HA 5.0 1.00E+00
94 VAL QG1 100 ALA HA 2.7 1.00E+00

96 ASP HA 96 ASP HB2 2.7 1.00E+00
96 ASP HA 96 ASP HB3 2.7 1.00E+00

96 ASP HB2 98 LYS H 3.3 1.00E+00 
96 ASP HB2 99 GLU H 5.0 1.00E+00 

97 THR HB 97 THR H 3.3 1.00E+00
97 THR HB 98 LYS H 3.3 1.00E+00


101 LEU HA 101 LEU QD2 2.7 1.00E+00


9 SER H 12 GLU OE1 2.0 1.00E+00
9 SER N 12 GLU OE1 3.0 1.00E+00

29 TYR OH 97 THR HG1 2.0 1.00E+00
29 TYR OH 97 THR OG1 3.0 1.00E+00

30      LYS     H       33      HISB    ND1     2.0     1.00E+00
30      LYS     N       33      HISB    ND1     3.0     1.00E+00

99 GLU H 96 ASP OD1 2.0 1.00E+00
99 GLU N 96 ASP OD1 3.0 1.00E+00

56 GLY H 53 THR OG1 2.0 1.00E+00 
56 GLY N 53 THR OG1 3.0 1.00E+00 

89 HIS+ HD1 12 GLU OE2 2.0 1.00E+00
89 HIS+ ND1 12 GLU OE2 3.0 1.00E+00

89 HIS+ HE2 51 LEU O 2.0 1.00E+00
89 HIS+ NE2 51 LEU O 3.0 1.00E+00



300 PC8  Q8b 41 LEU HA 4.0 1.00E+00
300 PC8  Q8b 41 LEU HG 4.0 1.00E+00
300 PC8  Q7b 41 LEU QD2 5.0 1.00E+00
300 PC8  Q6b 41 LEU QD2 5.0 1.00E+00
300 PC8  Q8b 44 PHE HB3 4.5 1.00E+00 
300 PC8  Q6b 44 PHE HB3 4.5 1.00E+00 
300 PC8  Q5b 44 PHE HB3 4.5 1.00E+00 
300 PC8  Q8b 44 PHE HB2 4.5 1.00E+00 
300 PC8  Q7b 44 PHE HB2 4.5 1.00E+00 
300 PC8  Q6b 44 PHE HB2 4.5 1.00E+00 
300 PC8  Q8b 44 PHE QD 5.0 1.00E+00
300 PC8  Q7b 44 PHE QD 5.0 1.00E+00
300 PC8  Q6b 44 PHE QD 5.0 1.00E+00
300 PC8  Q5b 44 PHE QD 5.0 1.00E+00
300 PC8  Q4b 44 PHE QD 5.0 1.00E+00
300 PC8  Q7b 46 VAL QG2 4.5 1.00E+00 
300 PC8  Q6b 46 VAL QG2 4.5 1.00E+00 
300 PC8  Q7b 60 ILE HA 5.0 1.00E+00
300 PC8  Q6b 60 ILE HA 5.0 1.00E+00
300 PC8  Q8b 60 ILE QG2 5.0 1.00E+00
300 PC8  Q7b 60 ILE QG2 5.0 1.00E+00
300 PC8  Q6b 60 ILE QG2 5.0 1.00E+00
300 PC8  Q8b 63 GLN QB 5.0 1.00E+00 
300 PC8  Q7b 63 GLN QB 5.0 1.00E+00 
300 PC8  Q6b 63 GLN QB 5.0 1.00E+00 
300 PC8  Q8b 64 LEU QD2 3.0 1.00E+00
300 PC8  Q7b 64 LEU QD2 4.5 1.00E+00
300 PC8  Q6b 64 LEU QD2 4.5 1.00E+00
300 PC8  Q5b 64 LEU QD2 4.5 1.00E+00
300 PC8  Q4b 64 LEU QD2 4.5 1.00E+00
300 PC8  Q7b 64 LEU QD1 5.0 1.00E+00
300 PC8  Q6b 64 LEU QD1 5.0 1.00E+00
300 PC8  Q5b 75 LEU HA 5.0 1.00E+00
300 PC8  Q4b 75 LEU HA 5.0 1.00E+00
300 PC8  Q5b 75 LEU QD1 5.0 1.00E+00
300 PC8  Q4b 75 LEU QD1 5.0 1.00E+00
300 PC8  Q3b 75 LEU QD1 5.0 1.00E+00 
300 PC8  Q8b 78 LEU HG  4.0 1.00E+00 
300 PC8  Q7b 78 LEU HG  5.0 1.00E+00 
300 PC8  Q6b 78 LEU HG  5.0 1.00E+00 




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