NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
13069 1u34 cing 1-original 2 DYANA/DIANA distance NOE simple



100 TYR  HA    101 ARG+ HN      2.68 
100 TYR  HA    115 TYR  QE      7.48 
100 TYR  HB2   101 ARG+ HG2     7.25 
100 TYR  HB2   101 ARG+ HG3     7.25 
100 TYR  HB2   101 ARG+ HN      4.54 
100 TYR  HB3   101 ARG+ HG2     7.25 
100 TYR  HB3   101 ARG+ HG3     7.25 
100 TYR  HB3   101 ARG+ HN      4.54 
100 TYR  HN    100 TYR  HB2     4.04 
100 TYR  HN    100 TYR  HB3     4.04 
100 TYR  HN    100 TYR  QB      3.61 
100 TYR  HN    100 TYR  QE      7.63 
100 TYR  HN    101 ARG+ HN      4.57 
100 TYR  HN    101 ARG+ QG      6.28 
100 TYR  HN    113 VAL  QQG     7.31 
100 TYR  HN    114 ASN  HN      4.04 
100 TYR  HN    114 ASN  QB      5.11 
100 TYR  QB    101 ARG+ QG      6.32 
100 TYR  QD    101 ARG+ HN      6.83 
100 TYR  QD    101 ARG+ QG      6.41 
100 TYR  QD    114 ASN  HB2     7.64 
100 TYR  QD    114 ASN  HB3     7.64 
100 TYR  QD    114 ASN  QB      6.87 
100 TYR  QD    115 TYR  QB      8.02 
100 TYR  QD    117 HIS  HD2     7.48 
100 TYR  QE    113 VAL  QQG    10.22 
100 TYR  QE    117 HIS  HD2     6.73 
100 TYR  QE    117 HIS  QB      8.51 
101 ARG+ HA    101 ARG+ QG      3.51 
101 ARG+ HA    102 GLU- HN      2.96 
101 ARG+ HA    113 VAL  HA      3.98 
101 ARG+ HA    113 VAL  HB      5.19 
101 ARG+ HA    113 VAL  QQG     7.10 
101 ARG+ HA    114 ASN  HN      5.50 
101 ARG+ HB2   109 TRP  HZ3     5.10 
101 ARG+ HB2   113 VAL  QG1     7.41 
101 ARG+ HB2   113 VAL  QG2     7.41 
101 ARG+ HB3   109 TRP  HZ3     5.60 #5.10 (nhb) 
101 ARG+ HB3   113 VAL  QG1     7.41 
101 ARG+ HB3   113 VAL  QG2     7.41 
101 ARG+ HE    109 TRP  HB2     4.88 
101 ARG+ HE    109 TRP  HB3     4.88 
101 ARG+ HE    109 TRP  HE3     5.50 
101 ARG+ HE    109 TRP  QB      4.71 
101 ARG+ HE    110 ALA  QB      6.34 
101 ARG+ HE    113 VAL  QQG     6.54 
101 ARG+ HN    101 ARG+ HG2     4.48 
101 ARG+ HN    101 ARG+ HG3     4.48 
101 ARG+ HN    101 ARG+ QD      6.38 
101 ARG+ HN    101 ARG+ QG      4.25 
101 ARG+ HN    102 GLU- HN      4.91 
101 ARG+ QB    109 TRP  HZ3     4.72 
101 ARG+ QB    113 VAL  HA      5.85 
101 ARG+ QB    113 VAL  HB      4.52 
101 ARG+ QB    113 VAL  QQG     5.67 
101 ARG+ QD    102 GLU- HN      5.85 
101 ARG+ QG    113 VAL  HB      4.42 
101 ARG+ QG    113 VAL  QQG     8.28 
101 ARG+ QG    115 TYR  QD      7.12 
102 GLU- HA    103 CYSS HN      3.05 
102 GLU- HA    110 ALA  QB      4.95 
102 GLU- HB2   103 CYSS HN      4.04 
102 GLU- HB3   103 CYSS HN      4.04 
102 GLU- HG2   103 CYSS HN      5.50 
102 GLU- HG2   104 LEU  QQD     6.21 
102 GLU- HG3   103 CYSS HN      5.50 
102 GLU- HG3   104 LEU  QQD     6.21 
102 GLU- HN    102 GLU- HB2     3.61 
102 GLU- HN    102 GLU- HB3     3.61 
102 GLU- HN    102 GLU- HG2     5.28 
102 GLU- HN    102 GLU- HG3     5.28 
102 GLU- HN    102 GLU- QB      3.34 
102 GLU- HN    102 GLU- QG      4.53 
102 GLU- HN    103 CYSS HN      4.69 
102 GLU- HN    110 ALA  QB      4.26 
102 GLU- HN    113 VAL  QQG     6.94 
102 GLU- QB    103 CYSS HN      3.54 
102 GLU- QB    110 ALA  QB      6.35 
102 GLU- QG    104 LEU  QQD     6.05 
102 GLU- QG    110 ALA  QB      6.19 
103 CYSS HA    104 LEU  HN      2.99 
103 CYSS HN    103 CYSS QB      3.58 
103 CYSS HN    104 LEU  HN      4.57 
103 CYSS HN    109 TRP  HE3     5.50 
103 CYSS HN    109 TRP  HZ3     5.50 
103 CYSS QB    104 LEU  HN      4.27 
103 CYSS QB    109 TRP  HZ3     5.45 
104 LEU  HA    104 LEU  HG      3.75 #3.48 (nhb) 
104 LEU  HA    105 GLU- HN      2.65 
104 LEU  HA    106 ASN  HN      4.04 
104 LEU  HA    107 GLY  HN      5.47 
104 LEU  HB2   105 GLU- HN      4.97 
104 LEU  HB2   108 THR  HN      4.14 
104 LEU  HB3   105 GLU- HN      4.97 
104 LEU  HB3   108 THR  HN      4.14 
104 LEU  HG    105 GLU- HN      5.47 
104 LEU  HG    106 ASN  HN      5.50 
104 LEU  HG    108 THR  HN      5.50 
104 LEU  HG    110 ALA  HA      5.41 
104 LEU  HN    104 LEU  HB2     3.55 
104 LEU  HN    104 LEU  HB3     3.55 
104 LEU  HN    104 LEU  HG      4.42 
104 LEU  HN    104 LEU  QB      3.18 
104 LEU  HN    104 LEU  QQD     5.59 
104 LEU  HN    105 GLU- HN      5.50 
104 LEU  HN    105 GLU- QB      6.38 
104 LEU  HN    106 ASN  HN      4.45 
104 LEU  HN    107 GLY  HN      4.48 
104 LEU  HN    108 THR  HN      3.64 
104 LEU  HN    109 TRP  HA      3.86 
104 LEU  HN    110 ALA  HN      5.50 
104 LEU  QB    105 GLU- HN      4.66 
104 LEU  QB    106 ASN  HN      4.30 
104 LEU  QB    107 GLY  HN      5.48 
104 LEU  QB    108 THR  HN      3.98 
104 LEU  QQD   105 GLU- HN      6.24 
104 LEU  QQD   106 ASN  HN      6.83 
104 LEU  QQD   107 GLY  HN      7.63 
104 LEU  QQD   108 THR  HB      7.63 
104 LEU  QQD   108 THR  HN      7.32 
104 LEU  QQD   109 TRP  HN      7.63 
104 LEU  QQD   110 ALA  HA      5.80 
104 LEU  QQD   110 ALA  HN      7.35 
104 LEU  QQD   110 ALA  QB      7.45 
105 GLU- HA    105 GLU- QB      2.69 
105 GLU- HA    106 ASN  HA      5.50 
105 GLU- HA    106 ASN  HN      3.24 
105 GLU- HA    106 ASN  QD2     6.37 
105 GLU- HA    107 GLY  HN      5.47 
105 GLU- HN    105 GLU- HA      2.87 
105 GLU- HN    105 GLU- QB      3.69 
105 GLU- HN    105 GLU- QG      5.45 
105 GLU- HN    106 ASN  HN      3.14 
105 GLU- HN    107 GLY  HN      4.32 
105 GLU- QB    106 ASN  HN      4.08 
105 GLU- QG    106 ASN  HN      5.48 
106 ASN  HA    107 GLY  HN      3.33 
106 ASN  HN    106 ASN  HB2     3.17 
106 ASN  HN    106 ASN  HB3     3.17 
106 ASN  HN    107 GLY  HN      2.87 
106 ASN  HN    108 THR  HN      4.04 
106 ASN  QB    108 THR  QG2     7.40 
107 GLY  HN    108 THR  HN      2.59 
107 GLY  HN    108 THR  QG2     5.63 
108 THR  HA    108 THR  HB      2.80 
108 THR  HA    109 TRP  HN      2.56 
108 THR  HB    109 TRP  HN      3.17 
108 THR  HN    108 THR  HB      4.07 
108 THR  HN    108 THR  QG2     4.61 
108 THR  HN    109 TRP  HN      4.48 
108 THR  QG2   109 TRP  HN      4.39 
109 TRP  HA    109 TRP  HE3     4.07 
109 TRP  HA    110 ALA  HN      2.99 
109 TRP  HA    110 ALA  QB      6.12 
109 TRP  HB2   110 ALA  HN      4.01 
109 TRP  HB3   110 ALA  HN      4.01 
109 TRP  HD1   110 ALA  HN      5.50 
109 TRP  HE3   110 ALA  QB      6.53 
109 TRP  HN    109 TRP  HB2     3.61 
109 TRP  HN    109 TRP  HB3     3.61 
109 TRP  HN    109 TRP  HD1     5.50 
109 TRP  HN    109 TRP  QB      3.27 
109 TRP  HN    110 ALA  HN      4.42 
109 TRP  QB    110 ALA  QB      6.26 
110 ALA  HN    110 ALA  QB      3.58 
110 ALA  QB    112 ARG+ HN      6.53 
111 SER  QB    112 ARG+ HN      4.45 
111 SER  QB    112 ARG+ QB      7.25 
112 ARG+ HA    112 ARG+ QD      6.38 
112 ARG+ HA    113 VAL  HN      2.87 
112 ARG+ HA    113 VAL  QG1     5.91 
112 ARG+ HA    113 VAL  QG2     5.91 
112 ARG+ HA    113 VAL  QQG     5.43 
112 ARG+ HN    112 ARG+ QB      3.56 
112 ARG+ HN    112 ARG+ QD      6.38 
112 ARG+ HN    112 ARG+ QG      5.57 
112 ARG+ HN    113 VAL  HN      4.50 #4.29 (NHB) 
112 ARG+ QB    113 VAL  HN      4.08 
113 VAL  HA    114 ASN  HN      2.68 
113 VAL  HA    115 TYR  QE      6.24 
113 VAL  HB    114 ASN  HN      4.42 
113 VAL  HB    115 TYR  QD      6.24 
113 VAL  HB    115 TYR  QE      5.65 
113 VAL  HN    113 VAL  HB      3.50 #2.87 (nhb) 
113 VAL  QG1   114 ASN  HN      5.23 
113 VAL  QG1   115 TYR  QD      7.46 
113 VAL  QG1   115 TYR  QE      6.68 
113 VAL  QG2   114 ASN  HN      5.23 
113 VAL  QG2   115 TYR  QD      7.46 
113 VAL  QG2   115 TYR  QE      6.68 
113 VAL  QQG   114 ASN  HN      4.54 
113 VAL  QQG   114 ASN  QB      7.45 
113 VAL  QQG   115 TYR  QB      8.38 
113 VAL  QQG   115 TYR  QE      6.23 
114 ASN  HB2   115 TYR  HN      4.88 
114 ASN  HB3   115 TYR  HN      4.88 
114 ASN  HN    114 ASN  HB2     4.07 
114 ASN  HN    114 ASN  HB3     4.07 
114 ASN  HN    114 ASN  QB      3.52 
114 ASN  HN    115 TYR  HN      4.45 
114 ASN  QB    116 SER  HN      5.73 
115 TYR  HA    116 SER  HN      3.58 
115 TYR  HN    116 SER  HN      3.83 
115 TYR  QD    116 SER  HN      7.64 
115 TYR  QD    118 CYSS HN      7.64 
116 SER  HN    116 SER  QB      3.93 
116 SER  HN    117 HIS  HN      3.33 
116 SER  HN    118 CYSS HN      5.10 
117 HIS  HA    118 CYSS HN      3.14 
117 HIS  HA    120 PRO  HB2     5.50 
117 HIS  HA    120 PRO  HB3     5.50 
117 HIS  HA    120 PRO  QD      6.38 
117 HIS  HA    120 PRO  QG      6.38 
117 HIS  HN    117 HIS  HD1     5.10 
117 HIS  HN    118 CYSS HN      2.74 
117 HIS  QB    118 CYSS HN      4.49 
117 HIS  QB    120 PRO  QB      7.25 
118 CYSS HN    118 CYSS HB2     3.14 
118 CYSS HN    118 CYSS HB3     3.14 
118 CYSS HN    118 CYSS QB      2.96 
118 CYSS HN    119 GLU- HN      3.76 
120 PRO  HA    121 ILE  HN      2.93 
120 PRO  QB    121 ILE  HN      4.13 
120 PRO  QG    121 ILE  HN      5.14 
121 ILE  HA    121 ILE  HG12    4.26 
121 ILE  HA    121 ILE  HG13    4.26 
121 ILE  HA    121 ILE  QD1     3.43 
121 ILE  HA    121 ILE  QG2     3.55 
121 ILE  HA    122 LEU  HN      2.62 
121 ILE  HB    121 ILE  QD1     3.43 
121 ILE  HN    121 ILE  HB      3.05 
121 ILE  HN    121 ILE  HG12    4.76 
121 ILE  HN    121 ILE  HG13    4.76 
121 ILE  HN    121 ILE  QD1     4.36 
121 ILE  HN    121 ILE  QG1     4.30 
121 ILE  QG1   122 LEU  HN      6.04 
121 ILE  QG2   122 LEU  HN      6.22 
122 LEU  HA    123 ASP- HN      2.77 
122 LEU  HG    123 ASP- QB      5.42 
122 LEU  HN    122 LEU  HG      4.01 
122 LEU  HN    122 LEU  QB      3.83 
122 LEU  HN    122 LEU  QQD     5.74 
122 LEU  HN    123 ASP- QB      5.88 
122 LEU  QB    123 ASP- QB      7.16 
122 LEU  QQD   123 ASP- HA      7.63 
122 LEU  QQD   123 ASP- QB      8.11 
123 ASP- HA    124 ASP- HN      2.96 
124 ASP- HA    125 LYS+ HN      2.96 
125 LYS+ HA    125 LYS+ QD      3.93 
125 LYS+ HA    126 GLN  HN      2.93 
125 LYS+ HN    125 LYS+ QD      6.38 
125 LYS+ HN    125 LYS+ QG      6.38 
125 LYS+ HN    126 GLN  HN      5.50 
126 GLN  HA    127 ARG+ HN      3.36 
126 GLN  HN    126 GLN  HB2     3.70 
126 GLN  HN    126 GLN  HB3     3.70 
126 GLN  HN    126 GLN  HG2     4.35 
126 GLN  HN    126 GLN  HG3     4.35 
126 GLN  HN    126 GLN  QB      3.32 
126 GLN  HN    126 GLN  QG      4.19 
127 ARG+ HA    127 ARG+ QD      5.76 
127 ARG+ HA    128 LYS+ HN      2.96 
127 ARG+ HN    127 ARG+ QG      4.61 
128 LYS+ HN    128 LYS+ QG      5.04 
129 TYR  HA    130 ASP- HN      2.71 
129 TYR  HB2   130 ASP- HN      4.26 
129 TYR  HB3   130 ASP- HN      4.26 
129 TYR  HN    129 TYR  HB2     4.11 
129 TYR  HN    129 TYR  HB3     4.11 
129 TYR  QB    130 ASP- HN      3.79 
130 ASP- HA    131 LEU  HN      3.05 
130 ASP- HB2   131 LEU  HN      4.14 
130 ASP- HB3   131 LEU  HN      4.14 
130 ASP- HN    130 ASP- HB2     4.01 
130 ASP- HN    130 ASP- HB3     4.01 
130 ASP- HN    130 ASP- QB      3.77 
131 LEU  HA    131 LEU  HG      4.20 
131 LEU  HA    132 HIS+ HN      3.39 
131 LEU  HN    131 LEU  HG      4.72 
131 LEU  HN    131 LEU  QQD     7.63 
132 HIS+ HA    132 HIS+ HB2     2.93 
132 HIS+ HA    132 HIS+ HB3     2.93 
132 HIS+ HA    132 HIS+ HD2     4.51 
132 HIS+ HA    133 TYR  HN      2.59 
132 HIS+ HN    132 HIS+ HB2     4.17 
132 HIS+ HN    132 HIS+ HB3     4.17 
132 HIS+ HN    132 HIS+ QB      3.92 
133 TYR  HN    133 TYR  HB2     2.87 
133 TYR  HN    133 TYR  HB3     2.87 
133 TYR  HN    133 TYR  QB      2.66 
 16 SER  HB2    17 GLY  HN      4.57 
 16 SER  HB3    17 GLY  HN      4.57 
 16 SER  QB     17 GLY  HN      4.35 
 20 GLU- HA     20 GLU- HG2     4.11 
 20 GLU- HA     20 GLU- HG3     4.11 
 22 ALA  HN     22 ALA  HA      2.93 
 24 ALA  HA     25 LYS+ HN      3.36 
 25 LYS+ HA     26 PHE  HN      2.93 
 25 LYS+ HB2    26 PHE  QE      7.62 
 25 LYS+ HB3    26 PHE  QE      7.62 
 25 LYS+ HN     25 LYS+ QB      3.86 
 25 LYS+ HN     25 LYS+ QG      6.38 
 25 LYS+ QB     26 PHE  QE      7.43 
 25 LYS+ QD     26 PHE  QE      8.50 
 26 PHE  HN     26 PHE  HA      2.93 
 27 GLU- HA     28 ARG+ HN      3.39 
 27 GLU- HN     28 ARG+ HN      4.63 
 28 ARG+ HA     28 ARG+ QD      6.38 
 28 ARG+ HA     29 GLN  HN      3.17 
 28 ARG+ QB     29 GLN  HN      4.49 
 28 ARG+ QG     29 GLN  HN      5.85 
 29 GLN  HA     30 HIS  HN      3.55 
 29 GLN  HB2    29 GLN  HE21    5.50 
 29 GLN  HB3    29 GLN  HE21    5.50 
 29 GLN  HN     29 GLN  HB2     3.11 
 29 GLN  HN     29 GLN  HB3     3.11 
 29 GLN  HN     29 GLN  QB      2.91 
 29 GLN  HN     29 GLN  QG      5.04 
 30 HIS  HA     30 HIS  HD2     3.89 
 30 HIS  HA     31 MET  HN      2.93 
 30 HIS  HD2    31 MET  HA      4.51 
 31 MET  HB2    32 ASP- HN      4.60 
 31 MET  HB3    32 ASP- HN      4.60 
 31 MET  HN     32 ASP- HN      4.45 
 31 MET  QB     32 ASP- HN      4.39 
 32 ASP- HA     33 SER  HN      2.96 
 32 ASP- HB2    33 SER  HN      4.11 
 32 ASP- HB3    33 SER  HN      4.11 
 32 ASP- HN     32 ASP- HB2     3.61 
 32 ASP- HN     32 ASP- HB3     3.61 
 32 ASP- HN     32 ASP- QB      3.38 
 32 ASP- QB     33 SER  HN      3.90 
 33 SER  HN     34 PRO  QD      6.00 
 33 SER  QB     35 ASP- HN      5.73 
 33 SER  QB     36 LEU  HN      6.38 
 34 PRO  HA     35 ASP- HN      3.11 
 34 PRO  HB2    35 ASP- HN      3.55 
 34 PRO  HB3    35 ASP- HN      3.55 
 34 PRO  HD2    35 ASP- HN      5.50 
 34 PRO  HD3    35 ASP- HN      5.50 
 34 PRO  QB     35 ASP- HN      3.37 
 34 PRO  QD     35 ASP- HN      4.94 
 34 PRO  QG     35 ASP- HN      5.45 
 35 ASP- HA     36 LEU  HN      2.90 
 35 ASP- HB2    36 LEU  HN      4.01 
 35 ASP- HB3    36 LEU  HN      4.01 
 35 ASP- HN     36 LEU  HN      5.50 
 35 ASP- QB     36 LEU  HN      3.81 
 36 LEU  HA     36 LEU  HG      3.14 
 36 LEU  HA     37 GLY  HN      3.61 
 36 LEU  HN     36 LEU  HG      4.57 
 36 LEU  HN     36 LEU  QQD     6.58 
 36 LEU  HN     37 GLY  HN      3.45 
 36 LEU  QB     37 GLY  HN      4.92 
 36 LEU  QB     37 GLY  QA      6.11 
 36 LEU  QQD    37 GLY  QA      8.51 
 37 GLY  HN     38 THR  HN      5.00 
 37 GLY  QA     40 LEU  HN      5.60 
 38 THR  HA     38 THR  QG2     3.43 
 38 THR  HA     39 THR  HN      3.30 
 38 THR  QG2    39 THR  HN      6.53 
 39 THR  HA     40 LEU  HN      3.50 #2.99 (nhb) 
 39 THR  QG2    40 LEU  HN      4.82 
 39 THR  QG2    43 GLN  HE21    6.53 
 39 THR  QG2    43 GLN  HE22    6.53 
 39 THR  QG2    44 TYR  QD      8.67 
 39 THR  QG2    44 TYR  QE      8.66 
 40 LEU  HA     41 LEU  HN      3.61 
 40 LEU  HB2    41 LEU  HN      5.50 
 40 LEU  HB2    43 GLN  HE21    7.25 
 40 LEU  HB2    43 GLN  HE22    7.25 
 40 LEU  HB2    43 GLN  HN      5.50 
 40 LEU  HB3    41 LEU  HN      5.50 
 40 LEU  HB3    43 GLN  HE21    7.25 
 40 LEU  HB3    43 GLN  HE22    7.25 
 40 LEU  HB3    43 GLN  HN      5.50 
 40 LEU  HG     41 LEU  HN      4.72 
 40 LEU  HG     42 GLU- HN      4.42 
 40 LEU  HG     43 GLN  HE21    5.50 
 40 LEU  HG     43 GLN  HE22    5.50 
 40 LEU  HG     43 GLN  HN      5.50 
 40 LEU  HN     40 LEU  HB2     4.04 
 40 LEU  HN     40 LEU  HB3     4.04 
 40 LEU  HN     40 LEU  HG      3.40 #3.14 (nhb) 
 40 LEU  HN     40 LEU  QB      3.50 
 40 LEU  HN     40 LEU  QQD     6.02 
 40 LEU  HN     41 LEU  HN      5.50 
 40 LEU  QB     41 LEU  HN      4.94 
 40 LEU  QB     43 GLN  HN      4.66 
 40 LEU  QB     43 GLN  QE2     6.27 
 40 LEU  QQD    42 GLU- HN      7.14 
 40 LEU  QQD    43 GLN  HE21    7.63 
 40 LEU  QQD    43 GLN  HE22    7.63 
 40 LEU  QQD    43 GLN  HN      7.63 
 40 LEU  QQD    44 TYR  QD      9.77 
 40 LEU  QQD    44 TYR  QE      9.76 
 41 LEU  HA     42 GLU- HN      3.24 
 41 LEU  HG     42 GLU- HN      4.42 
 41 LEU  HN     41 LEU  HG      2.90 
 41 LEU  HN     41 LEU  QB      3.65 
 41 LEU  HN     41 LEU  QQD     6.02 
 41 LEU  HN     42 GLU- HN      2.90 
 41 LEU  QB     42 GLU- HN      4.08 
 41 LEU  QQD    44 TYR  QE      9.36 
 42 GLU- HA     43 GLN  HN      3.11 
 42 GLU- HA     44 TYR  QB      5.38 
 42 GLU- HN     42 GLU- QB      3.65 
 42 GLU- HN     42 GLU- QG      4.39 
 42 GLU- HN     43 GLN  HN      3.95 
 42 GLU- HN     64 LEU  QQD     7.63 
 42 GLU- QB     43 GLN  HN      3.99 
 42 GLU- QB     43 GLN  QE2     7.24 
 42 GLU- QG     43 GLN  HN      4.86 
 43 GLN  HA     44 TYR  QD      7.64 
 43 GLN  HN     43 GLN  HA      3.00 #2.62 (nhb) 
 43 GLN  QB     43 GLN  HE21    6.38 
 43 GLN  QB     43 GLN  HE22    6.38 
 44 TYR  QE     64 LEU  QQD     9.76 
 46 HIS  HA     46 HIS  HD2     4.88 
 46 HIS  HD2    47 ARG+ HG2     4.42 
 46 HIS  HD2    47 ARG+ HG3     4.70 #4.42 (nhb) 
 46 HIS  HD2    47 ARG+ QG      4.17 
 47 ARG+ HA     47 ARG+ HE      5.50 
 47 ARG+ HA     47 ARG+ QG      3.62 
 47 ARG+ HA     48 THR  QG2     4.39 
 47 ARG+ HG2    48 THR  HN      3.98 
 47 ARG+ HG2    49 THR  QG2     4.57 
 47 ARG+ HG2    59 TYR  QD      7.64 
 47 ARG+ HG2    59 TYR  QE      7.63 
 47 ARG+ HG3    48 THR  HN      3.98 
 47 ARG+ HG3    49 THR  QG2     4.57 
 47 ARG+ HG3    59 TYR  QD      7.64 
 47 ARG+ HG3    59 TYR  QE      7.63 
 47 ARG+ HN     47 ARG+ HG2     5.22 
 47 ARG+ HN     47 ARG+ HG3     5.22 
 47 ARG+ HN     47 ARG+ QD      6.38 
 47 ARG+ HN     47 ARG+ QG      4.61 
 47 ARG+ HN     48 THR  HN      3.14 
 47 ARG+ QB     48 THR  HA      5.35 
 47 ARG+ QB     48 THR  QG2     6.29 
 47 ARG+ QD     48 THR  HN      6.38 
 47 ARG+ QD     72 PRO  QD      7.25 
 47 ARG+ QG     59 TYR  QD      7.30 
 47 ARG+ QG     59 TYR  QE      7.34 
 48 THR  HB     50 ILE  QG1     6.38 
 48 THR  HN     48 THR  HA      2.93 
 49 THR  HA     49 THR  HB      2.80 
 49 THR  HA     49 THR  QG2     3.77 
 49 THR  HA     50 ILE  HN      2.90 
 49 THR  HB     50 ILE  HN      5.50 
 49 THR  HB     50 ILE  QD1     6.53 
 49 THR  QG2    50 ILE  HN      6.53 
 49 THR  QG2    53 PHE  QD      8.65 
 49 THR  QG2    53 PHE  QE      8.53 
 49 THR  QG2    54 SER  HA      4.88 
 49 THR  QG2    54 SER  QB      7.37 
 50 ILE  HA     50 ILE  HG12    3.60 #3.08 (nhb)  
 50 ILE  HA     50 ILE  HG13    3.75 #3.08 (nhb) 
 50 ILE  HA     50 ILE  QD1     4.33 
 50 ILE  HA     50 ILE  QG2     3.74 
 50 ILE  HB     50 ILE  QD1     3.58 
 50 ILE  HB     56 PRO  HD2     3.79 
 50 ILE  HB     56 PRO  HD3     3.79 
 50 ILE  HB     56 PRO  QD      3.42 
 50 ILE  HN     50 ILE  HB      4.00 #3.36 (nhb)
 50 ILE  HN     50 ILE  HG12    5.22 
 50 ILE  HN     50 ILE  HG13    5.22 
 50 ILE  HN     50 ILE  QD1     5.16 
 50 ILE  HN     50 ILE  QG1     4.71 
 50 ILE  QD1    53 PHE  QD      8.37 
 50 ILE  QD1    54 SER  HA      6.53 
 50 ILE  QD1    54 SER  QB      7.40 
 50 ILE  QD1    57 TYR  QE      8.66 
 50 ILE  QG1    54 SER  QB      7.25 
 50 ILE  QG2    51 GLY  HN      6.31 
 50 ILE  QG2    57 TYR  QE      7.98 
 52 ASN  HA     52 ASN  HD21    5.13 
 52 ASN  HA     52 ASN  HD22    5.13 
 52 ASN  HA     52 ASN  QD2     4.98 
 52 ASN  HN     52 ASN  QB      3.80 
 53 PHE  QD     54 SER  HA      7.62 
 54 SER  HA     55 GLY  HN      3.58 
 54 SER  QB     56 PRO  QB      7.25 
 55 GLY  QA     57 TYR  HN      5.88 
 56 PRO  HB2    57 TYR  HN      3.73 
 56 PRO  HB3    57 TYR  HN      3.73 
 56 PRO  HD2    57 TYR  HB2     7.25 
 56 PRO  HD2    57 TYR  HB3     7.25 
 56 PRO  HD2    57 TYR  HN      5.50 
 56 PRO  HD3    57 TYR  HB2     7.25 
 56 PRO  HD3    57 TYR  HB3     7.25 
 56 PRO  HD3    57 TYR  HN      5.50 
 56 PRO  QB     57 TYR  HN      3.52 
 56 PRO  QD     57 TYR  HN      5.34 
 56 PRO  QD     57 TYR  QB      6.32 
 56 PRO  QD     57 TYR  QE      8.51 
 57 TYR  HA     57 TYR  HB2     3.05 
 57 TYR  HA     57 TYR  HB3     3.05 
 57 TYR  HA     58 THR  HN      3.02 
 57 TYR  HB2    58 THR  HN      3.79 
 57 TYR  HB3    58 THR  HN      3.79 
 57 TYR  HN     57 TYR  HB2     4.10 #3.48 (nhb) 
 57 TYR  HN     57 TYR  HB3     3.48 
 57 TYR  HN     57 TYR  QB      3.17 
 57 TYR  HN     57 TYR  QE      7.63 
 57 TYR  HN     59 TYR  HN      5.75 #5.50 (NHB) 
 57 TYR  QB     58 THR  HN      3.63 
 57 TYR  QE     74 SER  HN      7.63 
 58 THR  HA     59 TYR  HN      3.60 #3.30 (nhb) 
 58 THR  HA     59 TYR  QD      7.64 
 58 THR  HB     59 TYR  HN      4.57 
 58 THR  HN     58 THR  HB      3.45 
 58 THR  HN     59 TYR  HN      4.48 
 58 THR  QG2   106 ASN  HN      6.53 
 58 THR  QG2   107 GLY  HA1     6.37 
 58 THR  QG2   107 GLY  HA2     6.37 
 58 THR  QG2    59 TYR  HN      4.70 
 58 THR  QG2    59 TYR  QE      8.66 
 59 TYR  HA    107 GLY  QA      5.42 
 59 TYR  HA     60 CYSS HN      3.21 
 59 TYR  HA     75 ALA  HA      4.11 
 59 TYR  HA     76 PRO  QD      6.38 
 59 TYR  HA     76 PRO  QG      4.98 
 59 TYR  HB2    60 CYSS HN      4.07 
 59 TYR  HB3    60 CYSS HN      4.07 
 59 TYR  HN     59 TYR  HB2     3.61 
 59 TYR  HN     59 TYR  HB3     3.61 
 59 TYR  HN     59 TYR  QB      3.39 
 59 TYR  HN     59 TYR  QE      7.63 
 59 TYR  HN     60 CYSS HN      4.57 
 59 TYR  HN     75 ALA  QB      6.53 
 59 TYR  QB     60 CYSS HN      3.75 
 59 TYR  QB     74 SER  HA      6.38 
 59 TYR  QB     74 SER  HN      6.22 
 59 TYR  QD    108 THR  QG2     8.67 
 59 TYR  QD     60 CYSS HA      7.64 
 59 TYR  QD     60 CYSS HN      6.90 
 59 TYR  QD     62 THR  HN      7.64 
 59 TYR  QD     75 ALA  HA      7.64 
 59 TYR  QD     75 ALA  HN      7.64 
 59 TYR  QD     75 ALA  QB      8.67 
 59 TYR  QE     75 ALA  QB      7.95 
 60 CYSS HA    109 TRP  HE1     5.50 
 60 CYSS HA     61 ASN  HN      3.14 
 60 CYSS HA     74 SER  HN      4.32 
 60 CYSS HB2   103 CYSS HB2     5.80 
 60 CYSS HB2   103 CYSS HB3     5.80 
 60 CYSS HB2   109 TRP  HE1     4.91 
 60 CYSS HB2    61 ASN  HN      4.01 
 60 CYSS HB2    74 SER  HN      5.50 
 60 CYSS HB3   103 CYSS HB2     5.80 
 60 CYSS HB3   103 CYSS HB3     5.80 
 60 CYSS HB3   109 TRP  HE1     4.91 
 60 CYSS HB3    61 ASN  HN      4.01 
 60 CYSS HB3    74 SER  HN      5.50 
 60 CYSS HN     60 CYSS HB2     3.52 
 60 CYSS HN     60 CYSS HB3     3.52 
 60 CYSS HN     61 ASN  HN      5.50 
 60 CYSS HN     74 SER  HN      4.04 
 60 CYSS HN     74 SER  QB      5.94 
 60 CYSS HN     76 PRO  HD2     5.50 
 60 CYSS HN     76 PRO  HD3     5.50 
 60 CYSS QB    103 CYSS QB      4.84 
 60 CYSS QB    109 TRP  HE1     4.37 
 60 CYSS QB     61 ASN  HN      3.51 
 60 CYSS QB     74 SER  HA      5.01 
 60 CYSS QB     74 SER  HN      5.28 
 61 ASN  HA     61 ASN  HD21    5.50 
 61 ASN  HA     62 THR  HN      2.90 
 61 ASN  HA     73 GLN  HN      5.20 #4.72 (nhb)
 61 ASN  HA     74 SER  HN      4.45 
 61 ASN  HB2    62 THR  HN      3.92 
 61 ASN  HB3    62 THR  HN      3.92 
 61 ASN  HN    109 TRP  HD1     5.50 
 61 ASN  HN    109 TRP  HE1     4.14 
 61 ASN  HN     61 ASN  HB2     2.90 
 61 ASN  HN     61 ASN  HB3     2.90 
 61 ASN  HN     61 ASN  QD2     6.37 
 61 ASN  HN     62 THR  HN      5.50 
 61 ASN  HN     73 GLN  HA      4.75 #4.54 (nhb) 
 61 ASN  HN     74 SER  HN      5.50 
 61 ASN  QB     62 THR  HN      3.60 
 61 ASN  QD2    73 GLN  QB      7.24 
 62 THR  HA    109 TRP  HE1     5.50 
 62 THR  HA    109 TRP  HZ2     4.85 
 62 THR  HA     63 THR  HN      3.75 #2.74 
 62 THR  HA     71 TRP  HN      4.54 
 62 THR  HA     72 PRO  HA      4.10 #3.52 
 62 THR  HA     73 GLN  HN      3.27 
 62 THR  HB     63 THR  HN      5.50 
 62 THR  HB     73 GLN  QB      6.38 
 62 THR  HN     62 THR  HB      2.71 
 62 THR  HN     62 THR  QG2     4.61 
 62 THR  HN     63 THR  HN      4.54 
 62 THR  HN     73 GLN  HN      4.11 
 62 THR  HN     73 GLN  QB      5.51 
 62 THR  HN     73 GLN  QG      5.85 
 62 THR  QG2    63 THR  HN      4.08 
 62 THR  QG2    71 TRP  HN      6.28 
 62 THR  QG2    72 PRO  HA      4.50 #4.08 
 62 THR  QG2    73 GLN  HN      4.95 
 63 THR  HA     63 THR  HB      2.99 
 63 THR  HA     64 LEU  HN      2.87 
 63 THR  HB    109 TRP  HD1     4.54 
 63 THR  HB    109 TRP  HE1     4.63 
 63 THR  HB     64 LEU  HN      4.17 
 63 THR  HN    109 TRP  HE1     5.50 
 63 THR  HN     63 THR  HB      3.48 
 63 THR  HN     63 THR  QG2     4.20 
 63 THR  HN     64 LEU  HN      4.79 
 63 THR  HN     71 TRP  HN      5.50 #3.39 (nhb)
 63 THR  HN     71 TRP  QB      5.48 
 63 THR  HN     73 GLN  HN      5.50 
 63 THR  QG2   109 TRP  HD1     4.48 
 63 THR  QG2   109 TRP  HE1     5.13 
 63 THR  QG2   109 TRP  HZ2     6.43 
 63 THR  QG2    64 LEU  HN      6.31 
 63 THR  QG2    65 ASP- HN      6.53 
 63 THR  QG2    71 TRP  HD1     6.06 
 63 THR  QG2    71 TRP  HN      5.23 
 63 THR  QG2    71 TRP  QB      5.26 
 64 LEU  HA     65 ASP- HN      2.59 
 64 LEU  HA     70 CYSS HA      3.45 
 64 LEU  HA     71 TRP  HN      4.04 
 64 LEU  HB2    65 ASP- HN      4.17 
 64 LEU  HB2    68 GLY  HA1     6.17 
 64 LEU  HB2    68 GLY  HA2     6.17 
 64 LEU  HB3    65 ASP- HN      4.17 
 64 LEU  HB3    68 GLY  HA1     6.17 
 64 LEU  HB3    68 GLY  HA2     6.17 
 64 LEU  HG     65 ASP- HN      5.50 
 64 LEU  HG     70 CYSS HA      5.50 
 64 LEU  HN     64 LEU  HB2     4.04 
 64 LEU  HN     64 LEU  HB3     4.04 
 64 LEU  HN     64 LEU  HG      4.01 
 64 LEU  HN     64 LEU  QB      3.58 
 64 LEU  HN     64 LEU  QQD     7.29 
 64 LEU  HN     65 ASP- HN      4.94 
 64 LEU  QB     65 ASP- HN      3.61 
 64 LEU  QB     68 GLY  HN      5.01 
 64 LEU  QB     68 GLY  QA      4.70 
 64 LEU  QB     70 CYSS HA      6.38 
 64 LEU  QQD    65 ASP- HN      6.24 
 64 LEU  QQD    65 ASP- QB      8.51 
 64 LEU  QQD    66 GLN  HA      7.23 
 64 LEU  QQD    66 GLN  HB2     7.14 
 64 LEU  QQD    66 GLN  HB3     7.14 
 64 LEU  QQD    66 GLN  QB      6.42 
 64 LEU  QQD    66 GLN  QG      8.51 
 64 LEU  QQD    67 ILE  HB      6.95 
 64 LEU  QQD    67 ILE  HN      7.63 
 64 LEU  QQD    68 GLY  HA1     7.17 
 64 LEU  QQD    68 GLY  HA2     7.17 
 64 LEU  QQD    68 GLY  HN      6.67 
 64 LEU  QQD    68 GLY  QA      6.85 
 64 LEU  QQD    69 THR  HA      7.63 
 64 LEU  QQD    69 THR  HB      7.63 
 64 LEU  QQD    69 THR  HN      7.35 
 64 LEU  QQD    70 CYSS HA      7.63 
 64 LEU  QQD    70 CYSS HN      7.54 
 64 LEU  QQD    70 CYSS QB      8.26 
 64 LEU  QQD    71 TRP  HN      7.07 
 65 ASP- HN     65 ASP- HB2     3.95 
 65 ASP- HN     65 ASP- HB3     3.95 
 65 ASP- HN     65 ASP- QB      3.79 
 65 ASP- HN     67 ILE  HN      4.17 
 65 ASP- HN     70 CYSS HA      5.00 #4.66(nhb) 
 65 ASP- HN     71 TRP  HD1     5.50 
 65 ASP- HN     71 TRP  HE1     5.50 
 65 ASP- HN     71 TRP  HN      5.50 
 65 ASP- QB     71 TRP  HD1     5.38 
 65 ASP- QB     71 TRP  HE1     5.76 
 66 GLN  HA     67 ILE  HN      3.61 
 66 GLN  HA     68 GLY  HN      5.10 
 66 GLN  HN     66 GLN  QG      6.38 
 66 GLN  HN     67 ILE  HN      4.07 
 66 GLN  QG     67 ILE  HN      6.38 
 66 GLN  QG     67 ILE  QD1     7.40 
 66 GLN  QG     67 ILE  QG1     7.25 
 67 ILE  HA     67 ILE  QG1     3.75 #3.28 (nhb) 
 67 ILE  HA     67 ILE  QG2     3.43 
 67 ILE  HA     68 GLY  HN      3.48 
 67 ILE  HB     68 GLY  HN      4.94 
 67 ILE  HB     69 THR  HN      4.91 
 67 ILE  HG12   68 GLY  HN      5.50 
 67 ILE  HG13   68 GLY  HN      5.50 
 67 ILE  HN     67 ILE  HB      4.00 #3.61 (nhb)  
 67 ILE  HN     67 ILE  HG12    4.23 
 67 ILE  HN     67 ILE  HG13    4.23 
 67 ILE  HN     67 ILE  QD1     6.53 
 67 ILE  HN     69 THR  HN      5.50 
 67 ILE  QD1   112 ARG+ QB      7.40 
 67 ILE  QD1   115 TYR  QD      8.67 
 67 ILE  QD1   115 TYR  QE      8.66 
 67 ILE  QD1    68 GLY  HN      6.53 
 67 ILE  QD1    69 THR  HN      6.53 
 67 ILE  QD1    71 TRP  HZ2     5.38 
 67 ILE  QG1   113 VAL  HA      6.28 
 67 ILE  QG1    69 THR  HN      6.38 
 67 ILE  QG1    69 THR  QG2     5.30 
 67 ILE  QG2   112 ARG+ HA      6.53 
 67 ILE  QG2   112 ARG+ QB      7.40 
 67 ILE  QG2   112 ARG+ QG      7.22 
 67 ILE  QG2   115 TYR  QD      8.67 
 67 ILE  QG2    97 ARG+ QB      7.37 
 68 GLY  HN     69 THR  HN      4.00 #3.11 (nhb) 
 68 GLY  QA     69 THR  HA      5.91 
 69 THR  HA     70 CYSS HN      2.93 
 69 THR  HA     70 CYSS QB      6.38 
 69 THR  HB     70 CYSS HN      4.57 
 69 THR  HB     71 TRP  HE1     5.50 
 69 THR  HN     69 THR  HB      3.39 
 69 THR  HN     69 THR  HG1     5.19 
 69 THR  HN     69 THR  QG2     4.67 
 69 THR  HN     71 TRP  HE1     5.50 
 69 THR  QG2   113 VAL  QG1     7.56 
 69 THR  QG2   113 VAL  QG2     7.56 
 69 THR  QG2   113 VAL  QQG     6.90 
 69 THR  QG2   115 TYR  QE      8.01 
 69 THR  QG2    70 CYSS HA      6.53 
 69 THR  QG2    70 CYSS HN      4.30 
 69 THR  QG2    70 CYSS QB      7.40 
 69 THR  QG2    71 TRP  HD1     5.50 
 69 THR  QG2    71 TRP  HE1     6.03 
 69 THR  QG2    71 TRP  HE3     6.53 
 69 THR  QG2    71 TRP  HH2     6.53 
 69 THR  QG2    71 TRP  HN      6.53 
 69 THR  QG2    71 TRP  HZ2     4.82 
 69 THR  QG2    82 ARG+ HE      6.53 
 70 CYSS HA     71 TRP  HN      2.90 
 70 CYSS HN     70 CYSS QB      3.90 
 70 CYSS HN     71 TRP  HN      4.76 
 70 CYSS QB     71 TRP  HN      4.83 
 70 CYSS QB     72 PRO  QD      6.76 
 71 TRP  HB2   109 TRP  HZ2     4.29 
 71 TRP  HB2    71 TRP  HD1     3.89 
 71 TRP  HB3   109 TRP  HZ2     4.29 
 71 TRP  HB3    71 TRP  HD1     3.89 
 71 TRP  HE1   113 VAL  QG1     6.53 
 71 TRP  HE1   113 VAL  QG2     6.53 
 71 TRP  HE1   113 VAL  QQG     8.09 
 71 TRP  HE3   113 VAL  QQG     5.64 
 71 TRP  HE3    80 VAL  QQG     5.33 
 71 TRP  HH2   100 TYR  HN      5.50 
 71 TRP  HH2   101 ARG+ HN      5.50 
 71 TRP  HH2    99 ALA  QB      3.49 
 71 TRP  HN     71 TRP  HD1     4.38 
 71 TRP  HN     72 PRO  QD      6.38 
 71 TRP  HZ2   113 VAL  QG1     5.47 
 71 TRP  HZ2   113 VAL  QG2     5.47 
 71 TRP  HZ3   113 VAL  QQG     6.26 
 71 TRP  QB    109 TRP  HH2     6.04 
 71 TRP  QB    109 TRP  HZ2     4.09 
 71 TRP  QB     71 TRP  HZ3     5.78 
 71 TRP  QB     72 PRO  QD      6.23 
 71 TRP  QB     80 VAL  QQG     8.50 
 72 PRO  HA     73 GLN  HN      2.65 
 73 GLN  HA     73 GLN  HB2     3.25 #2.93 (nhb) 
 73 GLN  HA     73 GLN  HB3     2.93 
 73 GLN  HA     73 GLN  HE21    5.50 
 73 GLN  HA     73 GLN  HE22    5.50 
 73 GLN  HA     73 GLN  QB      2.71 
 73 GLN  HA     74 SER  HN      2.74 
 73 GLN  HB2    73 GLN  HE21    7.25 
 73 GLN  HB2    73 GLN  HE22    7.25 
 73 GLN  HB2    74 SER  HN      3.95 
 73 GLN  HB3    73 GLN  HE21    7.25 
 73 GLN  HB3    73 GLN  HE22    7.25 
 73 GLN  HB3    74 SER  HN      3.95 
 73 GLN  HN     73 GLN  QB      3.63 
 73 GLN  HN     73 GLN  QG      5.04 
 73 GLN  HN     74 SER  HN      5.10 
 73 GLN  QB     74 SER  HN      3.53 
 73 GLN  QG     74 SER  HN      6.22 
 74 SER  HA     75 ALA  HN      2.90 
 74 SER  HA     75 ALA  QB      6.34 
 74 SER  HA     78 ALA  QB      6.28 
 74 SER  HB2   109 TRP  HH2     4.72 
 74 SER  HB2    75 ALA  HN      3.11 
 74 SER  HB2    78 ALA  QB      5.01 
 74 SER  HB3   109 TRP  HH2     4.72 
 74 SER  HB3    75 ALA  HN      3.11 
 74 SER  HB3    78 ALA  QB      5.01 
 74 SER  HG     75 ALA  HN      4.54 
 74 SER  HG     80 VAL  QQG     7.62 
 74 SER  HN    109 TRP  HZ2     5.47 
 74 SER  HN     74 SER  HG      4.76 
 74 SER  HN     75 ALA  HN      4.69 
 74 SER  QB    109 TRP  HH2     4.58 
 74 SER  QB     75 ALA  HN      2.89 
 74 SER  QB     78 ALA  QB      4.69 
 75 ALA  HA     76 PRO  HG2     5.50 
 75 ALA  HA     76 PRO  HG3     5.50 
 75 ALA  HN     75 ALA  QB      3.55 
 75 ALA  HN     78 ALA  QB      5.44 
 75 ALA  QB     76 PRO  HD2     4.85 
 75 ALA  QB     76 PRO  HD3     4.85 
 75 ALA  QB     76 PRO  HG2     6.12 
 75 ALA  QB     76 PRO  HG3     6.12 
 75 ALA  QB     76 PRO  QG      5.61 
 75 ALA  QB     78 ALA  QB      7.56 
 76 PRO  HA    107 GLY  HA1     5.50 
 76 PRO  HA    107 GLY  HA2     5.50 
 76 PRO  HA    107 GLY  HN      4.94 
 76 PRO  HA    107 GLY  QA      5.26 
 76 PRO  HA    108 THR  HN      5.50 
 76 PRO  HB2   105 GLU- HA      4.91 
 76 PRO  HB2   107 GLY  HA1     5.98 
 76 PRO  HB2   107 GLY  HA2     5.98 
 76 PRO  HB2   107 GLY  HN      4.85 
 76 PRO  HB3   105 GLU- HA      4.91 
 76 PRO  HB3   107 GLY  HA1     5.98 
 76 PRO  HB3   107 GLY  HA2     5.98 
 76 PRO  HB3   107 GLY  HN      4.85 
 76 PRO  HG2   105 GLU- HA      5.50 
 76 PRO  HG2   107 GLY  HA1     5.50 
 76 PRO  HG2   107 GLY  HA2     5.50 
 76 PRO  HG2   107 GLY  HN      5.50 
 76 PRO  HG2    77 GLY  HN      5.50 
 76 PRO  HG3   105 GLU- HA      5.50 
 76 PRO  HG3   107 GLY  HA1     5.50 
 76 PRO  HG3   107 GLY  HA2     5.50 
 76 PRO  HG3   107 GLY  HN      5.50 
 76 PRO  HG3    77 GLY  HN      5.50 
 76 PRO  QB    105 GLU- HA      4.71 
 76 PRO  QB    107 GLY  HN      6.38 
 76 PRO  QB    107 GLY  QA      5.20 
 76 PRO  QB     77 GLY  HN      4.06 
 76 PRO  QG    105 GLU- HA      4.55 
 76 PRO  QG    107 GLY  QA      4.62 
 76 PRO  QG    108 THR  HN      6.04 
 76 PRO  QG     77 GLY  HN      5.21 
 77 GLY  HA1   105 GLU- HN      5.50 
 77 GLY  HA2   105 GLU- HN      5.50 
 77 GLY  HN    103 CYSS HN      4.45 
 77 GLY  HN    103 CYSS QB      6.38 
 77 GLY  HN    104 LEU  HA      3.70 
 77 GLY  HN    105 GLU- HA      4.04 
 77 GLY  HN    105 GLU- HN      4.63 
 77 GLY  HN    107 GLY  HN      4.45 
 77 GLY  HN    107 GLY  QA      4.89 
 77 GLY  HN     77 GLY  QA      2.55 
 77 GLY  HN     78 ALA  HN      3.11 
 77 GLY  HN     78 ALA  QB      6.40 
 77 GLY  QA    104 LEU  HA      6.38 
 77 GLY  QA    107 GLY  HN      5.29 
 77 GLY  QA     78 ALA  HN      3.12 
 78 ALA  HA     79 LEU  HA      5.50 
 78 ALA  HA     79 LEU  HB2     5.50 
 78 ALA  HA     79 LEU  HB3     5.50 
 78 ALA  HA     79 LEU  HN      3.50 #3.24 (nhb) 
 78 ALA  HA     79 LEU  QQD     6.61 
 78 ALA  HN    103 CYSS HA      5.10 
 78 ALA  HN    103 CYSS HB2     3.48 
 78 ALA  HN    103 CYSS HB3     3.48 
 78 ALA  HN    103 CYSS HN      4.54 
 78 ALA  HN    104 LEU  QQD     7.63 
 78 ALA  HN     78 ALA  QB      3.43 
 78 ALA  HN     79 LEU  HN      4.26 
 78 ALA  QB    103 CYSS HN      6.53 
 78 ALA  QB    103 CYSS QB      6.29 
 78 ALA  QB     79 LEU  HN      3.61 
 79 LEU  HA    102 GLU- HA      3.24 
 79 LEU  HA    102 GLU- QB      6.38 
 79 LEU  HA    103 CYSS HN      3.79 
 79 LEU  HA     80 VAL  HN      2.87 
 79 LEU  HN     79 LEU  HB2     4.04 
 79 LEU  HN     79 LEU  HB3     4.04 
 79 LEU  HN     79 LEU  QB      3.50 
 79 LEU  HN     79 LEU  QQD     6.58 
 79 LEU  HN     80 VAL  HN      4.04 
 79 LEU  QB    100 TYR  QD      7.03 
 79 LEU  QB    100 TYR  QE      8.42 
 79 LEU  QB    102 GLU- QB      4.96 
 79 LEU  QB    103 CYSS HN      6.38 
 79 LEU  QB     80 VAL  HN      4.70 
 79 LEU  QD1   102 GLU- HA      4.36 
 79 LEU  QD1   102 GLU- HB2     7.31 
 79 LEU  QD1   102 GLU- HB3     7.31 
 79 LEU  QD1   103 CYSS HB2     9.67 
 79 LEU  QD1   103 CYSS HB3     9.67 
 79 LEU  QD2   102 GLU- HA      4.36 
 79 LEU  QD2   102 GLU- HB2     7.31 
 79 LEU  QD2   102 GLU- HB3     7.31 
 79 LEU  QD2   103 CYSS HB2     9.67 
 79 LEU  QD2   103 CYSS HB3     9.67 
 79 LEU  QQD   100 TYR  HA      7.76 
 79 LEU  QQD   100 TYR  QD      8.72 
 79 LEU  QQD   102 GLU- HA      3.92 
 79 LEU  QQD   102 GLU- HN      6.80 
 79 LEU  QQD   102 GLU- QB      5.66 
 79 LEU  QQD   103 CYSS HN      8.10 
 79 LEU  QQD   103 CYSS QB      7.90 
 79 LEU  QQD    80 VAL  HN      6.24 
 80 VAL  HA    109 TRP  HH2     4.79 
 80 VAL  HA     81 GLU- HN      2.74 
 80 VAL  HB    101 ARG+ HN      4.50 #4.04 
 80 VAL  HB    101 ARG+ QG      5.48 
 80 VAL  HB    109 TRP  HH2     3.89 
 80 VAL  HB    109 TRP  HZ2     5.34 
 80 VAL  HB    109 TRP  HZ3     4.94 
 80 VAL  HB     81 GLU- HN      5.50 
 80 VAL  HB     81 GLU- QG      6.38 
 80 VAL  HB     82 ARG+ HE      5.50 
 80 VAL  HN    101 ARG+ HN      4.04 
 80 VAL  HN    102 GLU- HA      4.35 
 80 VAL  HN    109 TRP  HZ3     5.50 
 80 VAL  HN     80 VAL  HB      2.87 
 80 VAL  HN     81 GLU- HN      4.54 
 80 VAL  QQG   103 CYSS HN      6.32 
 80 VAL  QQG   109 TRP  HE3     6.35 
 80 VAL  QQG   109 TRP  HH2     5.02 
 80 VAL  QQG   109 TRP  HZ2     6.07 
 80 VAL  QQG   109 TRP  HZ3     5.30 
 80 VAL  QQG   113 VAL  HA      6.63 
 80 VAL  QQG    81 GLU- HA      7.62 
 80 VAL  QQG    81 GLU- HN      4.96 
 80 VAL  QQG    81 GLU- QB      8.19 
 80 VAL  QQG    82 ARG+ HN      7.62 
 81 GLU- HA    100 TYR  HA      3.73 
 81 GLU- HA    100 TYR  QD      6.21 
 81 GLU- HA    100 TYR  QE      7.63 
 81 GLU- HA    101 ARG+ HN      5.04 
 81 GLU- HA     82 ARG+ HN      2.62 
 81 GLU- HB2   100 TYR  QD      7.64 
 81 GLU- HB2   100 TYR  QE      6.39 
 81 GLU- HB2    82 ARG+ HN      4.17 
 81 GLU- HB3   100 TYR  QD      7.64 
 81 GLU- HB3   100 TYR  QE      6.39 
 81 GLU- HB3    82 ARG+ HN      4.17 
 81 GLU- HN    101 ARG+ HN      4.42 
 81 GLU- HN     81 GLU- HB2     3.61 
 81 GLU- HN     81 GLU- HB3     3.61 
 81 GLU- HN     81 GLU- QB      3.03 
 81 GLU- QB    100 TYR  HA      5.42 
 81 GLU- QB    100 TYR  QD      7.19 
 81 GLU- QB    100 TYR  QE      6.24 
 81 GLU- QB     82 ARG+ HN      3.87 
 81 GLU- QG    100 TYR  HA      6.38 
 81 GLU- QG    100 TYR  QD      8.05 
 81 GLU- QG    100 TYR  QE      7.24 
 81 GLU- QG     82 ARG+ HN      6.38 
 82 ARG+ HA    113 VAL  QQG     7.19 
 82 ARG+ HA     83 PRO  HD2     3.58 
 82 ARG+ HA     83 PRO  HD3     3.58 
 82 ARG+ HA     83 PRO  QD      3.00 
 82 ARG+ HN    100 TYR  HA      4.60 
 82 ARG+ HN    100 TYR  QD      7.64 
 82 ARG+ HN    113 VAL  QQG     7.16 
 82 ARG+ HN    115 TYR  QE      7.63 
 82 ARG+ HN     82 ARG+ QG      6.38 
 82 ARG+ HN     98 ASN  QB      6.38 
 82 ARG+ HN     99 ALA  HN      3.61 
 82 ARG+ QG     99 ALA  HA      6.38 
 83 PRO  HA     84 CYSS HN      2.74 
 83 PRO  HA     98 ASN  HA      5.50 
 83 PRO  HA     99 ALA  HN      3.73 
 83 PRO  QB    115 TYR  QD      8.52 
 83 PRO  QD     84 CYSS HA      6.38 
 83 PRO  QG     84 CYSS HA      6.38 
 84 CYSS HB2    89 ASN  HD21    6.76 
 84 CYSS HB2    89 ASN  HD22    6.76 
 84 CYSS HB3    89 ASN  HD21    6.76 
 84 CYSS HB3    89 ASN  HD22    6.76 
 84 CYSS HN     84 CYSS HA      2.80 
 84 CYSS HN     84 CYSS QB      3.42 
 84 CYSS HN     85 PRO  QD      6.38 
 84 CYSS HN     98 ASN  HA      4.45 
 84 CYSS HN     98 ASN  HN      4.97 
 84 CYSS HN     99 ALA  HN      4.54 
 84 CYSS QB     88 PHE  HZ      6.28 
 84 CYSS QB     88 PHE  QD      8.50 
 84 CYSS QB     89 ASN  QD2     5.50 
 84 CYSS QB     93 TYR  QD      8.52 
 84 CYSS QB     93 TYR  QE      8.51 
 85 PRO  HA     94 ASN  QD2     6.37 
 85 PRO  QB     86 GLU- HN      4.20 
 86 GLU- HA     86 GLU- QG      3.99 
 86 GLU- HA     87 TYR  HN      2.96 
 86 GLU- HN     86 GLU- QG      6.38 
 86 GLU- HN     93 TYR  HA      5.60 #4.94 (nhb) 
 86 GLU- HN     93 TYR  HB2     5.13 
 86 GLU- HN     93 TYR  HB3     5.13 
 86 GLU- HN     93 TYR  QB      4.75 
 86 GLU- QG     87 TYR  HA      6.07 
 86 GLU- QG     87 TYR  HN      5.73 
 87 TYR  HN     87 TYR  HB2     3.36 
 87 TYR  HN     87 TYR  HB3     3.36 
 87 TYR  HN     87 TYR  QB      3.10 
 88 PHE  HZ    121 ILE  QD1     4.73 
 88 PHE  HZ     91 ILE  QG2     6.00 #5.50 (nhb) 
 88 PHE  HZ     93 TYR  QB      6.38 
 88 PHE  QB     89 ASN  QB      4.65 
 88 PHE  QD     89 ASN  QB      7.72 
 88 PHE  QD     91 ILE  QD1     7.41 
 88 PHE  QD     91 ILE  QG2     8.65 
 88 PHE  QE    121 ILE  QD1     7.84 
 88 PHE  QE     91 ILE  QD1     6.76 
 88 PHE  QE     91 ILE  QG2     8.49 
 89 ASN  HN     91 ILE  HN      5.10 
 90 GLY  HN     91 ILE  HN      3.42 
 91 ILE  HA     91 ILE  HG12    4.07 
 91 ILE  HA     91 ILE  HG13    4.07 
 91 ILE  HA     91 ILE  QD1     4.45 
 91 ILE  HA     92 LYS+ HN      3.61 
 91 ILE  HB     92 LYS+ HN      4.85 
 91 ILE  HG12   92 LYS+ HN      5.16 
 91 ILE  HG13   92 LYS+ HN      5.16 
 91 ILE  HN    123 ASP- QB      6.38 
 91 ILE  HN     91 ILE  HB      3.61 
 91 ILE  HN     91 ILE  HG12    5.19 
 91 ILE  HN     91 ILE  HG13    5.19 
 91 ILE  HN     91 ILE  QD1     4.98 
 91 ILE  HN     91 ILE  QG1     4.75 
 91 ILE  HN     92 LYS+ HN      4.57 
 91 ILE  QD1    92 LYS+ HN      4.26 
 91 ILE  QD1    93 TYR  QD      8.67 
 91 ILE  QD1    93 TYR  QE      8.66 
 91 ILE  QG1    92 LYS+ HN      4.76 
 91 ILE  QG2    92 LYS+ HN      5.10 
 91 ILE  QG2    93 TYR  QD      8.67 
 91 ILE  QG2    93 TYR  QE      8.66 
 92 LYS+ HB2    93 TYR  HN      4.69 
 92 LYS+ HB3    93 TYR  HN      4.69 
 92 LYS+ HN     92 LYS+ HB2     4.01 
 92 LYS+ HN     92 LYS+ HB3     4.01 
 92 LYS+ HN     92 LYS+ QB      3.37 
 92 LYS+ HN     92 LYS+ QG      5.45 
 92 LYS+ HN     93 TYR  HN      4.54 
 92 LYS+ HN     93 TYR  QE      7.63 
 92 LYS+ HN     94 ASN  QD2     5.96 
 92 LYS+ QB     92 LYS+ QE      6.79 
 92 LYS+ QB     93 TYR  HN      4.16 
 92 LYS+ QB     93 TYR  QD      8.52 
 92 LYS+ QB     93 TYR  QE      6.62 
 92 LYS+ QD     93 TYR  QE      8.51 
 92 LYS+ QG     93 TYR  HN      6.38 
 92 LYS+ QG     93 TYR  QD      8.52 
 92 LYS+ QG     93 TYR  QE      8.51 
 93 TYR  HA     93 TYR  QB      2.65 
 93 TYR  HA     94 ASN  QD2     6.37 
 93 TYR  HB2    94 ASN  HN      4.69 
 93 TYR  HB3    94 ASN  HN      4.69 
 93 TYR  QB     94 ASN  HN      4.23 
 93 TYR  QD     94 ASN  HA      7.05 
 93 TYR  QD     95 THR  QG2     8.42 
 93 TYR  QE     95 THR  QG2     7.58 
 94 ASN  HN     94 ASN  QD2     5.59 
 95 THR  HA     97 ARG+ HN      5.10 
 95 THR  HB     96 THR  HN      5.50 
 95 THR  HN     95 THR  QG2     4.42 
 95 THR  HN     96 THR  HN      4.57 
 95 THR  QG2    96 THR  HN      6.09 
 96 THR  HA     96 THR  QG2     3.58 
 96 THR  HN     96 THR  QG2     4.39 
 96 THR  HN     97 ARG+ HN      3.45 
 97 ARG+ HA     97 ARG+ QD      4.98 
 97 ARG+ HA     98 ASN  HA      5.34 
 97 ARG+ HA     98 ASN  HN      2.62 
 97 ARG+ HB2    98 ASN  HN      4.60 
 97 ARG+ HB3    98 ASN  HN      4.60 
 97 ARG+ HN     97 ARG+ HB2     4.04 
 97 ARG+ HN     97 ARG+ HB3     4.04 
 97 ARG+ HN     97 ARG+ QB      3.76 
 97 ARG+ HN     97 ARG+ QG      6.38 
 97 ARG+ HN     98 ASN  HN      4.48 
 97 ARG+ QB     98 ASN  HN      4.44 
 97 ARG+ QD     98 ASN  HN      5.45 
 97 ARG+ QG     98 ASN  HN      6.31 
 98 ASN  HA     99 ALA  HN      2.77 
 98 ASN  HB2    99 ALA  HN      3.98 
 98 ASN  HB3    99 ALA  HN      3.98 
 98 ASN  HN     98 ASN  HD21    4.91 
 98 ASN  HN     98 ASN  HD22    4.91 
 98 ASN  HN     98 ASN  QB      3.43 
 98 ASN  HN     98 ASN  QD2     4.74 
 98 ASN  HN     99 ALA  HN      5.10 
 98 ASN  QB     99 ALA  HN      3.40 
 98 ASN  QD2    99 ALA  HN      6.37 
 99 ALA  HA    100 TYR  HN      2.77 
 99 ALA  HA    113 VAL  QQG     7.19 
 99 ALA  HA    115 TYR  QB      5.94 
 99 ALA  HN    100 TYR  HN      4.57 
 99 ALA  QB    100 TYR  HN      4.17 
 99 ALA  QB    100 TYR  QD      7.89 
 99 ALA  QB    113 VAL  QQG     8.43 
 99 ALA  QB    114 ASN  HD21    6.53 
 99 ALA  QB    114 ASN  HD22    6.53 
 99 ALA  QB    114 ASN  HN      6.47 
 99 ALA  QB    115 TYR  HA      6.53 
 99 ALA  QB    115 TYR  QD      6.59 
 99 ALA  QB    115 TYR  QE      7.76 
 45 CYSS SG     70 CYSS SG      2.10
 45 CYSS CB     70 CYSS SG      3.10
 45 CYSS SG     70 CYSS CB      3.10
 60 CYSS SG    103 CYSS SG      2.10
 60 CYSS CB    103 CYSS SG      3.10
 60 CYSS SG    103 CYSS CB      3.10
 84 CYSS SG    118 CYSS SG      2.10
 84 CYSS CB    118 CYSS SG      3.10
 84 CYSS SG    118 CYSS CB      3.10


Please acknowledge these references in publications where the data from this site have been utilized.

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