data_26064
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26064
_Entry.PDB_ID 2NDL
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 26064
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.564 -0.113 26064
2 1 1 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.661 2.305 26064
3 1 1 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.562 2.734 26064
4 1 1 . 1 1 3 3 CYS N N 3 114.059 114.059 115.231 -1.172 26064
5 1 1 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.909 0.368 26064
6 1 1 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.554 0.847 26064
7 1 1 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.613 21.892 26064
8 1 1 . 1 1 3 3 CYS H H 3 8.059 8.059 7.983 0.076 26064
9 1 1 . 1 1 4 4 PHE N N 4 119.641 119.641 119.949 -0.308 26064
10 1 1 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.803 0.097 26064
11 1 1 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.260 4.180 26064
12 1 1 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.237 1.355 26064
13 1 1 . 1 1 4 4 PHE H H 4 9.066 9.066 8.555 0.511 26064
14 1 1 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.580 -0.138 26064
15 1 1 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.622 2.723 26064
16 1 1 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.761 3.841 26064
17 1 1 . 1 1 6 6 MET N N 6 116.907 116.907 121.560 -4.653 26064
18 1 1 . 1 1 6 6 MET HA H 6 4.719 4.719 4.819 -0.100 26064
19 1 1 . 1 1 6 6 MET CA C 6 56.502 56.502 55.253 1.249 26064
20 1 1 . 1 1 6 6 MET CB C 6 36.513 36.513 37.656 -1.143 26064
21 1 1 . 1 1 6 6 MET H H 6 7.776 7.776 8.831 -1.055 26064
22 1 1 . 1 1 7 7 GLY N N 7 106.999 106.999 107.659 -0.660 26064
23 1 1 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.725 2.817 26064
24 1 1 . 1 1 7 7 GLY H H 7 7.698 7.698 8.417 -0.719 26064
25 1 1 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.371 -0.244 26064
26 1 1 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.878 2.251 26064
27 1 1 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.088 1.790 26064
28 1 1 . 1 1 9 9 TRP N N 9 114.654 114.654 119.157 -4.503 26064
29 1 1 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.681 0.145 26064
30 1 1 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.367 0.568 26064
31 1 1 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.070 1.481 26064
32 1 1 . 1 1 9 9 TRP H H 9 8.039 8.039 8.341 -0.302 26064
33 1 1 . 1 1 10 10 GLY N N 10 104.947 104.947 106.255 -1.308 26064
34 1 1 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.943 1.334 26064
35 1 1 . 1 1 10 10 GLY H H 10 7.372 7.372 7.927 -0.555 26064
36 1 1 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.598 0.044 26064
37 1 1 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.136 2.622 26064
38 1 1 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.962 5.335 26064
39 1 1 . 1 1 12 12 PHE N N 12 117.526 117.526 120.909 -3.383 26064
40 1 1 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.935 -0.025 26064
41 1 1 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.816 1.716 26064
42 1 1 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.299 2.957 26064
43 1 1 . 1 1 12 12 PHE H H 12 8.446 8.446 7.897 0.549 26064
44 1 1 . 1 1 13 13 CYS N N 13 120.208 120.208 121.562 -1.354 26064
45 1 1 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.918 0.385 26064
46 1 1 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.108 1.081 26064
47 1 1 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.860 21.443 26064
48 1 1 . 1 1 13 13 CYS H H 13 8.718 8.718 8.726 -0.008 26064
49 1 1 . 1 1 14 14 ILE N N 14 124.040 124.040 119.542 4.498 26064
50 1 1 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.787 -0.417 26064
51 1 1 . 1 1 14 14 ILE CA C 14 60.756 60.756 57.999 2.757 26064
52 1 1 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.742 3.732 26064
53 1 1 . 1 1 14 14 ILE H H 14 8.358 8.358 8.004 0.354 26064
54 1 1 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.406 -0.234 26064
55 1 1 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.718 2.635 26064
56 1 1 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.125 1.882 26064
57 1 2 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.566 -0.115 26064
58 1 2 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.666 2.301 26064
59 1 2 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.565 2.732 26064
60 1 2 . 1 1 3 3 CYS N N 3 114.059 114.059 115.234 -1.175 26064
61 1 2 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.912 0.365 26064
62 1 2 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.558 0.843 26064
63 1 2 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.608 21.897 26064
64 1 2 . 1 1 3 3 CYS H H 3 8.059 8.059 7.985 0.074 26064
65 1 2 . 1 1 4 4 PHE N N 4 119.641 119.641 119.938 -0.297 26064
66 1 2 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.801 0.099 26064
67 1 2 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.267 4.173 26064
68 1 2 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.240 1.352 26064
69 1 2 . 1 1 4 4 PHE H H 4 9.066 9.066 8.558 0.508 26064
70 1 2 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.574 -0.132 26064
71 1 2 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.638 2.707 26064
72 1 2 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.765 3.837 26064
73 1 2 . 1 1 6 6 MET N N 6 116.907 116.907 121.495 -4.588 26064
74 1 2 . 1 1 6 6 MET HA H 6 4.719 4.719 4.809 -0.090 26064
75 1 2 . 1 1 6 6 MET CA C 6 56.502 56.502 55.255 1.247 26064
76 1 2 . 1 1 6 6 MET CB C 6 36.513 36.513 37.695 -1.182 26064
77 1 2 . 1 1 6 6 MET H H 6 7.776 7.776 8.844 -1.068 26064
78 1 2 . 1 1 7 7 GLY N N 7 106.999 106.999 107.693 -0.694 26064
79 1 2 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.729 2.813 26064
80 1 2 . 1 1 7 7 GLY H H 7 7.698 7.698 8.415 -0.717 26064
81 1 2 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.260 -0.133 26064
82 1 2 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.733 2.396 26064
83 1 2 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.817 2.061 26064
84 1 2 . 1 1 9 9 TRP N N 9 114.654 114.654 118.939 -4.285 26064
85 1 2 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.687 0.139 26064
86 1 2 . 1 1 9 9 TRP CA C 9 58.935 58.935 57.940 0.995 26064
87 1 2 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.911 1.640 26064
88 1 2 . 1 1 9 9 TRP H H 9 8.039 8.039 8.249 -0.210 26064
89 1 2 . 1 1 10 10 GLY N N 10 104.947 104.947 105.995 -1.048 26064
90 1 2 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.931 1.347 26064
91 1 2 . 1 1 10 10 GLY H H 10 7.372 7.372 7.953 -0.581 26064
92 1 2 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.590 0.052 26064
93 1 2 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.118 2.639 26064
94 1 2 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.934 5.363 26064
95 1 2 . 1 1 12 12 PHE N N 12 117.526 117.526 120.899 -3.373 26064
96 1 2 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.944 -0.034 26064
97 1 2 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.828 1.704 26064
98 1 2 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.312 2.944 26064
99 1 2 . 1 1 12 12 PHE H H 12 8.446 8.446 7.907 0.539 26064
100 1 2 . 1 1 13 13 CYS N N 13 120.208 120.208 121.568 -1.360 26064
101 1 2 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.923 0.380 26064
102 1 2 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.120 1.069 26064
103 1 2 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.863 21.441 26064
104 1 2 . 1 1 13 13 CYS H H 13 8.718 8.718 8.737 -0.019 26064
105 1 2 . 1 1 14 14 ILE N N 14 124.040 124.040 119.592 4.448 26064
106 1 2 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.798 -0.428 26064
107 1 2 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.027 2.729 26064
108 1 2 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.729 3.745 26064
109 1 2 . 1 1 14 14 ILE H H 14 8.358 8.358 8.013 0.345 26064
110 1 2 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.413 -0.241 26064
111 1 2 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.930 2.424 26064
112 1 2 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.190 1.817 26064
113 1 3 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.563 -0.112 26064
114 1 3 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.663 2.304 26064
115 1 3 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.561 2.735 26064
116 1 3 . 1 1 3 3 CYS N N 3 114.059 114.059 115.236 -1.177 26064
117 1 3 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.907 0.370 26064
118 1 3 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.557 0.844 26064
119 1 3 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.603 21.902 26064
120 1 3 . 1 1 3 3 CYS H H 3 8.059 8.059 7.981 0.078 26064
121 1 3 . 1 1 4 4 PHE N N 4 119.641 119.641 119.961 -0.320 26064
122 1 3 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.804 0.096 26064
123 1 3 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.263 4.178 26064
124 1 3 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.228 1.364 26064
125 1 3 . 1 1 4 4 PHE H H 4 9.066 9.066 8.564 0.502 26064
126 1 3 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.587 -0.145 26064
127 1 3 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.678 2.667 26064
128 1 3 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.841 3.761 26064
129 1 3 . 1 1 6 6 MET N N 6 116.907 116.907 121.959 -5.052 26064
130 1 3 . 1 1 6 6 MET HA H 6 4.719 4.719 4.825 -0.106 26064
131 1 3 . 1 1 6 6 MET CA C 6 56.502 56.502 54.887 1.615 26064
132 1 3 . 1 1 6 6 MET CB C 6 36.513 36.513 37.604 -1.091 26064
133 1 3 . 1 1 6 6 MET H H 6 7.776 7.776 8.907 -1.131 26064
134 1 3 . 1 1 7 7 GLY N N 7 106.999 106.999 108.202 -1.203 26064
135 1 3 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.802 2.740 26064
136 1 3 . 1 1 7 7 GLY H H 7 7.698 7.698 8.421 -0.723 26064
137 1 3 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.307 -0.180 26064
138 1 3 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.794 2.335 26064
139 1 3 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.970 1.908 26064
140 1 3 . 1 1 9 9 TRP N N 9 114.654 114.654 119.070 -4.416 26064
141 1 3 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.668 0.158 26064
142 1 3 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.110 0.825 26064
143 1 3 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.082 1.469 26064
144 1 3 . 1 1 9 9 TRP H H 9 8.039 8.039 8.298 -0.259 26064
145 1 3 . 1 1 10 10 GLY N N 10 104.947 104.947 106.052 -1.105 26064
146 1 3 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.937 1.340 26064
147 1 3 . 1 1 10 10 GLY H H 10 7.372 7.372 7.935 -0.563 26064
148 1 3 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.592 0.050 26064
149 1 3 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.122 2.636 26064
150 1 3 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.950 5.347 26064
151 1 3 . 1 1 12 12 PHE N N 12 117.526 117.526 120.903 -3.377 26064
152 1 3 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.938 -0.028 26064
153 1 3 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.825 1.707 26064
154 1 3 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.318 2.938 26064
155 1 3 . 1 1 12 12 PHE H H 12 8.446 8.446 7.899 0.547 26064
156 1 3 . 1 1 13 13 CYS N N 13 120.208 120.208 121.520 -1.312 26064
157 1 3 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.922 0.381 26064
158 1 3 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.108 1.081 26064
159 1 3 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.898 21.405 26064
160 1 3 . 1 1 13 13 CYS H H 13 8.718 8.718 8.730 -0.012 26064
161 1 3 . 1 1 14 14 ILE N N 14 124.040 124.040 119.534 4.506 26064
162 1 3 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.795 -0.425 26064
163 1 3 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.020 2.736 26064
164 1 3 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.736 3.738 26064
165 1 3 . 1 1 14 14 ILE H H 14 8.358 8.358 8.009 0.349 26064
166 1 3 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.413 -0.241 26064
167 1 3 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.921 2.433 26064
168 1 3 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.192 1.815 26064
169 1 4 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.574 -0.123 26064
170 1 4 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.667 2.300 26064
171 1 4 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.569 2.727 26064
172 1 4 . 1 1 3 3 CYS N N 3 114.059 114.059 115.246 -1.187 26064
173 1 4 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.923 0.354 26064
174 1 4 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.568 0.833 26064
175 1 4 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.606 21.899 26064
176 1 4 . 1 1 3 3 CYS H H 3 8.059 8.059 7.991 0.068 26064
177 1 4 . 1 1 4 4 PHE N N 4 119.641 119.641 119.958 -0.317 26064
178 1 4 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.806 0.094 26064
179 1 4 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.266 4.174 26064
180 1 4 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.236 1.356 26064
181 1 4 . 1 1 4 4 PHE H H 4 9.066 9.066 8.567 0.499 26064
182 1 4 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.587 -0.145 26064
183 1 4 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.667 2.678 26064
184 1 4 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.847 3.755 26064
185 1 4 . 1 1 6 6 MET N N 6 116.907 116.907 122.034 -5.127 26064
186 1 4 . 1 1 6 6 MET HA H 6 4.719 4.719 4.817 -0.098 26064
187 1 4 . 1 1 6 6 MET CA C 6 56.502 56.502 54.864 1.638 26064
188 1 4 . 1 1 6 6 MET CB C 6 36.513 36.513 37.578 -1.065 26064
189 1 4 . 1 1 6 6 MET H H 6 7.776 7.776 8.910 -1.134 26064
190 1 4 . 1 1 7 7 GLY N N 7 106.999 106.999 108.181 -1.182 26064
191 1 4 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.741 2.801 26064
192 1 4 . 1 1 7 7 GLY H H 7 7.698 7.698 8.395 -0.697 26064
193 1 4 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.324 -0.197 26064
194 1 4 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.850 2.279 26064
195 1 4 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.719 2.159 26064
196 1 4 . 1 1 9 9 TRP N N 9 114.654 114.654 118.868 -4.214 26064
197 1 4 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.751 0.075 26064
198 1 4 . 1 1 9 9 TRP CA C 9 58.935 58.935 57.905 1.030 26064
199 1 4 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.778 1.773 26064
200 1 4 . 1 1 9 9 TRP H H 9 8.039 8.039 8.062 -0.023 26064
201 1 4 . 1 1 10 10 GLY N N 10 104.947 104.947 106.815 -1.868 26064
202 1 4 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.036 1.240 26064
203 1 4 . 1 1 10 10 GLY H H 10 7.372 7.372 7.931 -0.559 26064
204 1 4 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.597 0.045 26064
205 1 4 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.127 2.631 26064
206 1 4 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.935 5.362 26064
207 1 4 . 1 1 12 12 PHE N N 12 117.526 117.526 120.930 -3.404 26064
208 1 4 . 1 1 12 12 PHE HA H 12 4.910 4.910 5.013 -0.103 26064
209 1 4 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.880 1.652 26064
210 1 4 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.394 2.862 26064
211 1 4 . 1 1 12 12 PHE H H 12 8.446 8.446 7.921 0.525 26064
212 1 4 . 1 1 13 13 CYS N N 13 120.208 120.208 121.592 -1.384 26064
213 1 4 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.944 0.359 26064
214 1 4 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.144 1.045 26064
215 1 4 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.898 21.405 26064
216 1 4 . 1 1 13 13 CYS H H 13 8.718 8.718 8.791 -0.073 26064
217 1 4 . 1 1 14 14 ILE N N 14 124.040 124.040 119.569 4.471 26064
218 1 4 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.818 -0.448 26064
219 1 4 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.033 2.723 26064
220 1 4 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.755 3.719 26064
221 1 4 . 1 1 14 14 ILE H H 14 8.358 8.358 8.027 0.331 26064
222 1 4 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.446 -0.274 26064
223 1 4 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.840 2.514 26064
224 1 4 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.109 1.898 26064
225 1 5 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.575 -0.124 26064
226 1 5 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.670 2.297 26064
227 1 5 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.565 2.731 26064
228 1 5 . 1 1 3 3 CYS N N 3 114.059 114.059 115.239 -1.180 26064
229 1 5 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.925 0.352 26064
230 1 5 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.564 0.837 26064
231 1 5 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.637 21.868 26064
232 1 5 . 1 1 3 3 CYS H H 3 8.059 8.059 7.988 0.071 26064
233 1 5 . 1 1 4 4 PHE N N 4 119.641 119.641 119.929 -0.288 26064
234 1 5 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.785 0.115 26064
235 1 5 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.249 4.191 26064
236 1 5 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.230 1.362 26064
237 1 5 . 1 1 4 4 PHE H H 4 9.066 9.066 8.564 0.502 26064
238 1 5 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.502 -0.060 26064
239 1 5 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.574 2.771 26064
240 1 5 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.707 3.894 26064
241 1 5 . 1 1 6 6 MET N N 6 116.907 116.907 121.488 -4.581 26064
242 1 5 . 1 1 6 6 MET HA H 6 4.719 4.719 4.795 -0.076 26064
243 1 5 . 1 1 6 6 MET CA C 6 56.502 56.502 55.227 1.275 26064
244 1 5 . 1 1 6 6 MET CB C 6 36.513 36.513 37.656 -1.143 26064
245 1 5 . 1 1 6 6 MET H H 6 7.776 7.776 8.797 -1.021 26064
246 1 5 . 1 1 7 7 GLY N N 7 106.999 106.999 107.664 -0.665 26064
247 1 5 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.717 2.825 26064
248 1 5 . 1 1 7 7 GLY H H 7 7.698 7.698 8.409 -0.711 26064
249 1 5 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.387 -0.260 26064
250 1 5 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.814 2.315 26064
251 1 5 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.091 1.787 26064
252 1 5 . 1 1 9 9 TRP N N 9 114.654 114.654 120.318 -5.664 26064
253 1 5 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.684 0.142 26064
254 1 5 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.112 0.823 26064
255 1 5 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.560 0.991 26064
256 1 5 . 1 1 9 9 TRP H H 9 8.039 8.039 8.241 -0.202 26064
257 1 5 . 1 1 10 10 GLY N N 10 104.947 104.947 107.287 -2.340 26064
258 1 5 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.802 1.475 26064
259 1 5 . 1 1 10 10 GLY H H 10 7.372 7.372 7.826 -0.454 26064
260 1 5 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.488 0.154 26064
261 1 5 . 1 1 11 11 PRO CA C 11 65.758 65.758 62.924 2.834 26064
262 1 5 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.725 5.572 26064
263 1 5 . 1 1 12 12 PHE N N 12 117.526 117.526 120.773 -3.247 26064
264 1 5 . 1 1 12 12 PHE HA H 12 4.910 4.910 5.130 -0.220 26064
265 1 5 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.909 1.623 26064
266 1 5 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.500 2.756 26064
267 1 5 . 1 1 12 12 PHE H H 12 8.446 8.446 7.899 0.547 26064
268 1 5 . 1 1 13 13 CYS N N 13 120.208 120.208 121.610 -1.402 26064
269 1 5 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.959 0.344 26064
270 1 5 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.148 1.041 26064
271 1 5 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.965 21.338 26064
272 1 5 . 1 1 13 13 CYS H H 13 8.718 8.718 8.832 -0.114 26064
273 1 5 . 1 1 14 14 ILE N N 14 124.040 124.040 119.564 4.476 26064
274 1 5 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.817 -0.447 26064
275 1 5 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.030 2.726 26064
276 1 5 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.755 3.720 26064
277 1 5 . 1 1 14 14 ILE H H 14 8.358 8.358 8.032 0.326 26064
278 1 5 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.419 -0.247 26064
279 1 5 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.791 2.563 26064
280 1 5 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.162 1.845 26064
281 1 6 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.572 -0.121 26064
282 1 6 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.667 2.300 26064
283 1 6 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.567 2.729 26064
284 1 6 . 1 1 3 3 CYS N N 3 114.059 114.059 115.245 -1.186 26064
285 1 6 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.923 0.354 26064
286 1 6 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.569 0.833 26064
287 1 6 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.604 21.901 26064
288 1 6 . 1 1 3 3 CYS H H 3 8.059 8.059 7.990 0.069 26064
289 1 6 . 1 1 4 4 PHE N N 4 119.641 119.641 119.972 -0.331 26064
290 1 6 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.808 0.092 26064
291 1 6 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.262 4.178 26064
292 1 6 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.232 1.360 26064
293 1 6 . 1 1 4 4 PHE H H 4 9.066 9.066 8.574 0.492 26064
294 1 6 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.586 -0.144 26064
295 1 6 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.673 2.672 26064
296 1 6 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.844 3.758 26064
297 1 6 . 1 1 6 6 MET N N 6 116.907 116.907 122.034 -5.127 26064
298 1 6 . 1 1 6 6 MET HA H 6 4.719 4.719 4.811 -0.092 26064
299 1 6 . 1 1 6 6 MET CA C 6 56.502 56.502 54.855 1.647 26064
300 1 6 . 1 1 6 6 MET CB C 6 36.513 36.513 37.572 -1.059 26064
301 1 6 . 1 1 6 6 MET H H 6 7.776 7.776 8.911 -1.135 26064
302 1 6 . 1 1 7 7 GLY N N 7 106.999 106.999 108.145 -1.146 26064
303 1 6 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.712 2.830 26064
304 1 6 . 1 1 7 7 GLY H H 7 7.698 7.698 8.381 -0.683 26064
305 1 6 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.240 -0.113 26064
306 1 6 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.755 2.374 26064
307 1 6 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.507 2.371 26064
308 1 6 . 1 1 9 9 TRP N N 9 114.654 114.654 118.628 -3.974 26064
309 1 6 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.757 0.069 26064
310 1 6 . 1 1 9 9 TRP CA C 9 58.935 58.935 57.917 1.018 26064
311 1 6 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.746 1.805 26064
312 1 6 . 1 1 9 9 TRP H H 9 8.039 8.039 7.938 0.101 26064
313 1 6 . 1 1 10 10 GLY N N 10 104.947 104.947 106.715 -1.768 26064
314 1 6 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.049 1.228 26064
315 1 6 . 1 1 10 10 GLY H H 10 7.372 7.372 7.963 -0.591 26064
316 1 6 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.601 0.041 26064
317 1 6 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.128 2.630 26064
318 1 6 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.944 5.353 26064
319 1 6 . 1 1 12 12 PHE N N 12 117.526 117.526 120.938 -3.412 26064
320 1 6 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.995 -0.085 26064
321 1 6 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.880 1.652 26064
322 1 6 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.416 2.840 26064
323 1 6 . 1 1 12 12 PHE H H 12 8.446 8.446 7.930 0.516 26064
324 1 6 . 1 1 13 13 CYS N N 13 120.208 120.208 121.572 -1.364 26064
325 1 6 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.943 0.360 26064
326 1 6 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.137 1.052 26064
327 1 6 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.907 21.396 26064
328 1 6 . 1 1 13 13 CYS H H 13 8.718 8.718 8.771 -0.053 26064
329 1 6 . 1 1 14 14 ILE N N 14 124.040 124.040 119.565 4.475 26064
330 1 6 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.819 -0.449 26064
331 1 6 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.028 2.728 26064
332 1 6 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.763 3.711 26064
333 1 6 . 1 1 14 14 ILE H H 14 8.358 8.358 8.027 0.331 26064
334 1 6 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.448 -0.276 26064
335 1 6 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.815 2.539 26064
336 1 6 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.103 1.904 26064
337 1 7 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.572 -0.121 26064
338 1 7 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.668 2.299 26064
339 1 7 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.571 2.725 26064
340 1 7 . 1 1 3 3 CYS N N 3 114.059 114.059 115.237 -1.178 26064
341 1 7 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.922 0.355 26064
342 1 7 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.569 0.832 26064
343 1 7 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.663 21.842 26064
344 1 7 . 1 1 3 3 CYS H H 3 8.059 8.059 7.992 0.067 26064
345 1 7 . 1 1 4 4 PHE N N 4 119.641 119.641 119.906 -0.265 26064
346 1 7 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.810 0.090 26064
347 1 7 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.291 4.149 26064
348 1 7 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.249 1.343 26064
349 1 7 . 1 1 4 4 PHE H H 4 9.066 9.066 8.587 0.479 26064
350 1 7 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.585 -0.143 26064
351 1 7 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.635 2.711 26064
352 1 7 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.756 3.846 26064
353 1 7 . 1 1 6 6 MET N N 6 116.907 116.907 121.480 -4.573 26064
354 1 7 . 1 1 6 6 MET HA H 6 4.719 4.719 4.815 -0.096 26064
355 1 7 . 1 1 6 6 MET CA C 6 56.502 56.502 55.242 1.260 26064
356 1 7 . 1 1 6 6 MET CB C 6 36.513 36.513 37.677 -1.164 26064
357 1 7 . 1 1 6 6 MET H H 6 7.776 7.776 8.844 -1.068 26064
358 1 7 . 1 1 7 7 GLY N N 7 106.999 106.999 107.675 -0.676 26064
359 1 7 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.724 2.818 26064
360 1 7 . 1 1 7 7 GLY H H 7 7.698 7.698 8.416 -0.718 26064
361 1 7 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.376 -0.249 26064
362 1 7 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.838 2.291 26064
363 1 7 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.084 1.794 26064
364 1 7 . 1 1 9 9 TRP N N 9 114.654 114.654 120.262 -5.608 26064
365 1 7 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.658 0.168 26064
366 1 7 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.017 0.917 26064
367 1 7 . 1 1 9 9 TRP CB C 9 31.551 31.551 31.062 0.489 26064
368 1 7 . 1 1 9 9 TRP H H 9 8.039 8.039 8.269 -0.230 26064
369 1 7 . 1 1 10 10 GLY N N 10 104.947 104.947 107.619 -2.672 26064
370 1 7 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.002 1.275 26064
371 1 7 . 1 1 10 10 GLY H H 10 7.372 7.372 7.909 -0.537 26064
372 1 7 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.639 0.003 26064
373 1 7 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.196 2.562 26064
374 1 7 . 1 1 11 11 PRO CB C 11 35.297 35.297 30.058 5.239 26064
375 1 7 . 1 1 12 12 PHE N N 12 117.526 117.526 120.889 -3.363 26064
376 1 7 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.973 -0.063 26064
377 1 7 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.856 1.676 26064
378 1 7 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.385 2.871 26064
379 1 7 . 1 1 12 12 PHE H H 12 8.446 8.446 7.945 0.501 26064
380 1 7 . 1 1 13 13 CYS N N 13 120.208 120.208 121.488 -1.280 26064
381 1 7 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.936 0.367 26064
382 1 7 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.113 1.076 26064
383 1 7 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.962 21.341 26064
384 1 7 . 1 1 13 13 CYS H H 13 8.718 8.718 8.741 -0.023 26064
385 1 7 . 1 1 14 14 ILE N N 14 124.040 124.040 119.517 4.523 26064
386 1 7 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.796 -0.426 26064
387 1 7 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.019 2.737 26064
388 1 7 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.742 3.732 26064
389 1 7 . 1 1 14 14 ILE H H 14 8.358 8.358 8.017 0.341 26064
390 1 7 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.412 -0.240 26064
391 1 7 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.922 2.432 26064
392 1 7 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.169 1.838 26064
393 1 8 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.569 -0.118 26064
394 1 8 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.663 2.304 26064
395 1 8 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.567 2.729 26064
396 1 8 . 1 1 3 3 CYS N N 3 114.059 114.059 115.240 -1.181 26064
397 1 8 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.913 0.364 26064
398 1 8 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.562 0.839 26064
399 1 8 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.616 21.889 26064
400 1 8 . 1 1 3 3 CYS H H 3 8.059 8.059 7.987 0.072 26064
401 1 8 . 1 1 4 4 PHE N N 4 119.641 119.641 119.952 -0.311 26064
402 1 8 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.804 0.096 26064
403 1 8 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.265 4.175 26064
404 1 8 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.228 1.364 26064
405 1 8 . 1 1 4 4 PHE H H 4 9.066 9.066 8.565 0.501 26064
406 1 8 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.586 -0.144 26064
407 1 8 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.681 2.663 26064
408 1 8 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.840 3.762 26064
409 1 8 . 1 1 6 6 MET N N 6 116.907 116.907 121.959 -5.052 26064
410 1 8 . 1 1 6 6 MET HA H 6 4.719 4.719 4.826 -0.107 26064
411 1 8 . 1 1 6 6 MET CA C 6 56.502 56.502 54.887 1.615 26064
412 1 8 . 1 1 6 6 MET CB C 6 36.513 36.513 37.601 -1.088 26064
413 1 8 . 1 1 6 6 MET H H 6 7.776 7.776 8.905 -1.129 26064
414 1 8 . 1 1 7 7 GLY N N 7 106.999 106.999 108.200 -1.201 26064
415 1 8 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.793 2.749 26064
416 1 8 . 1 1 7 7 GLY H H 7 7.698 7.698 8.420 -0.722 26064
417 1 8 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.462 -0.335 26064
418 1 8 . 1 1 8 8 PRO CA C 8 67.129 67.129 65.030 2.099 26064
419 1 8 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.124 1.754 26064
420 1 8 . 1 1 9 9 TRP N N 9 114.654 114.654 119.091 -4.437 26064
421 1 8 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.734 0.092 26064
422 1 8 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.043 0.892 26064
423 1 8 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.733 1.819 26064
424 1 8 . 1 1 9 9 TRP H H 9 8.039 8.039 8.316 -0.277 26064
425 1 8 . 1 1 10 10 GLY N N 10 104.947 104.947 106.608 -1.661 26064
426 1 8 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.976 1.301 26064
427 1 8 . 1 1 10 10 GLY H H 10 7.372 7.372 7.930 -0.558 26064
428 1 8 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.601 0.041 26064
429 1 8 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.143 2.615 26064
430 1 8 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.967 5.330 26064
431 1 8 . 1 1 12 12 PHE N N 12 117.526 117.526 120.915 -3.389 26064
432 1 8 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.974 -0.064 26064
433 1 8 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.838 1.694 26064
434 1 8 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.302 2.954 26064
435 1 8 . 1 1 12 12 PHE H H 12 8.446 8.446 7.903 0.543 26064
436 1 8 . 1 1 13 13 CYS N N 13 120.208 120.208 121.522 -1.314 26064
437 1 8 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.926 0.377 26064
438 1 8 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.111 1.078 26064
439 1 8 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.922 21.381 26064
440 1 8 . 1 1 13 13 CYS H H 13 8.718 8.718 8.743 -0.025 26064
441 1 8 . 1 1 14 14 ILE N N 14 124.040 124.040 119.533 4.507 26064
442 1 8 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.781 -0.411 26064
443 1 8 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.012 2.744 26064
444 1 8 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.723 3.751 26064
445 1 8 . 1 1 14 14 ILE H H 14 8.358 8.358 8.007 0.351 26064
446 1 8 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.408 -0.236 26064
447 1 8 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.896 2.458 26064
448 1 8 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.209 1.798 26064
449 1 9 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.568 -0.117 26064
450 1 9 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.666 2.301 26064
451 1 9 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.563 2.733 26064
452 1 9 . 1 1 3 3 CYS N N 3 114.059 114.059 115.236 -1.177 26064
453 1 9 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.914 0.363 26064
454 1 9 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.561 0.840 26064
455 1 9 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.623 21.882 26064
456 1 9 . 1 1 3 3 CYS H H 3 8.059 8.059 7.988 0.071 26064
457 1 9 . 1 1 4 4 PHE N N 4 119.641 119.641 119.944 -0.303 26064
458 1 9 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.804 0.096 26064
459 1 9 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.263 4.177 26064
460 1 9 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.235 1.357 26064
461 1 9 . 1 1 4 4 PHE H H 4 9.066 9.066 8.559 0.507 26064
462 1 9 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.578 -0.136 26064
463 1 9 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.628 2.717 26064
464 1 9 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.763 3.839 26064
465 1 9 . 1 1 6 6 MET N N 6 116.907 116.907 121.535 -4.628 26064
466 1 9 . 1 1 6 6 MET HA H 6 4.719 4.719 4.817 -0.098 26064
467 1 9 . 1 1 6 6 MET CA C 6 56.502 56.502 55.251 1.252 26064
468 1 9 . 1 1 6 6 MET CB C 6 36.513 36.513 37.672 -1.159 26064
469 1 9 . 1 1 6 6 MET H H 6 7.776 7.776 8.836 -1.060 26064
470 1 9 . 1 1 7 7 GLY N N 7 106.999 106.999 107.673 -0.674 26064
471 1 9 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.717 2.825 26064
472 1 9 . 1 1 7 7 GLY H H 7 7.698 7.698 8.415 -0.717 26064
473 1 9 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.457 -0.330 26064
474 1 9 . 1 1 8 8 PRO CA C 8 67.129 67.129 65.009 2.120 26064
475 1 9 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.115 1.763 26064
476 1 9 . 1 1 9 9 TRP N N 9 114.654 114.654 119.142 -4.488 26064
477 1 9 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.729 0.097 26064
478 1 9 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.097 0.838 26064
479 1 9 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.805 1.746 26064
480 1 9 . 1 1 9 9 TRP H H 9 8.039 8.039 8.304 -0.265 26064
481 1 9 . 1 1 10 10 GLY N N 10 104.947 104.947 106.628 -1.681 26064
482 1 9 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.974 1.303 26064
483 1 9 . 1 1 10 10 GLY H H 10 7.372 7.372 7.926 -0.554 26064
484 1 9 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.603 0.039 26064
485 1 9 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.141 2.617 26064
486 1 9 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.963 5.333 26064
487 1 9 . 1 1 12 12 PHE N N 12 117.526 117.526 120.923 -3.397 26064
488 1 9 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.982 -0.072 26064
489 1 9 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.839 1.693 26064
490 1 9 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.300 2.956 26064
491 1 9 . 1 1 12 12 PHE H H 12 8.446 8.446 7.904 0.542 26064
492 1 9 . 1 1 13 13 CYS N N 13 120.208 120.208 121.577 -1.369 26064
493 1 9 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.926 0.377 26064
494 1 9 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.123 1.065 26064
495 1 9 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.884 21.419 26064
496 1 9 . 1 1 13 13 CYS H H 13 8.718 8.718 8.752 -0.034 26064
497 1 9 . 1 1 14 14 ILE N N 14 124.040 124.040 119.554 4.486 26064
498 1 9 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.784 -0.414 26064
499 1 9 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.003 2.753 26064
500 1 9 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.734 3.740 26064
501 1 9 . 1 1 14 14 ILE H H 14 8.358 8.358 8.008 0.350 26064
502 1 9 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.427 -0.255 26064
503 1 9 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.802 2.552 26064
504 1 9 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.072 1.935 26064
505 1 10 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.582 -0.131 26064
506 1 10 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.684 2.283 26064
507 1 10 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.577 2.719 26064
508 1 10 . 1 1 3 3 CYS N N 3 114.059 114.059 115.230 -1.171 26064
509 1 10 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.941 0.336 26064
510 1 10 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.569 0.832 26064
511 1 10 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.730 21.775 26064
512 1 10 . 1 1 3 3 CYS H H 3 8.059 8.059 7.997 0.062 26064
513 1 10 . 1 1 4 4 PHE N N 4 119.641 119.641 119.833 -0.192 26064
514 1 10 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.794 0.106 26064
515 1 10 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.304 4.136 26064
516 1 10 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.261 1.331 26064
517 1 10 . 1 1 4 4 PHE H H 4 9.066 9.066 8.599 0.467 26064
518 1 10 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.535 -0.093 26064
519 1 10 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.659 2.686 26064
520 1 10 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.795 3.807 26064
521 1 10 . 1 1 6 6 MET N N 6 116.907 116.907 121.811 -4.904 26064
522 1 10 . 1 1 6 6 MET HA H 6 4.719 4.719 4.813 -0.094 26064
523 1 10 . 1 1 6 6 MET CA C 6 56.502 56.502 54.904 1.598 26064
524 1 10 . 1 1 6 6 MET CB C 6 36.513 36.513 37.639 -1.126 26064
525 1 10 . 1 1 6 6 MET H H 6 7.776 7.776 8.886 -1.110 26064
526 1 10 . 1 1 7 7 GLY N N 7 106.999 106.999 108.188 -1.189 26064
527 1 10 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.807 2.735 26064
528 1 10 . 1 1 7 7 GLY H H 7 7.698 7.698 8.424 -0.726 26064
529 1 10 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.390 -0.263 26064
530 1 10 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.829 2.300 26064
531 1 10 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.093 1.785 26064
532 1 10 . 1 1 9 9 TRP N N 9 114.654 114.654 120.147 -5.493 26064
533 1 10 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.680 0.146 26064
534 1 10 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.224 0.711 26064
535 1 10 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.500 1.051 26064
536 1 10 . 1 1 9 9 TRP H H 9 8.039 8.039 8.248 -0.209 26064
537 1 10 . 1 1 10 10 GLY N N 10 104.947 104.947 107.159 -2.212 26064
538 1 10 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.846 1.431 26064
539 1 10 . 1 1 10 10 GLY H H 10 7.372 7.372 7.850 -0.478 26064
540 1 10 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.542 0.100 26064
541 1 10 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.025 2.733 26064
542 1 10 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.834 5.463 26064
543 1 10 . 1 1 12 12 PHE N N 12 117.526 117.526 120.827 -3.301 26064
544 1 10 . 1 1 12 12 PHE HA H 12 4.910 4.910 5.113 -0.203 26064
545 1 10 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.926 1.606 26064
546 1 10 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.501 2.755 26064
547 1 10 . 1 1 12 12 PHE H H 12 8.446 8.446 7.931 0.515 26064
548 1 10 . 1 1 13 13 CYS N N 13 120.208 120.208 121.429 -1.221 26064
549 1 10 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.964 0.339 26064
550 1 10 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.184 1.005 26064
551 1 10 . 1 1 13 13 CYS CB C 13 50.303 50.303 29.024 21.279 26064
552 1 10 . 1 1 13 13 CYS H H 13 8.718 8.718 8.805 -0.087 26064
553 1 10 . 1 1 14 14 ILE N N 14 124.040 124.040 119.530 4.510 26064
554 1 10 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.807 -0.437 26064
555 1 10 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.000 2.756 26064
556 1 10 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.790 3.684 26064
557 1 10 . 1 1 14 14 ILE H H 14 8.358 8.358 8.012 0.346 26064
558 1 10 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.443 -0.271 26064
559 1 10 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.808 2.546 26064
560 1 10 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.104 1.903 26064
561 1 11 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.568 -0.117 26064
562 1 11 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.687 2.280 26064
563 1 11 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.471 2.825 26064
564 1 11 . 1 1 3 3 CYS N N 3 114.059 114.059 115.251 -1.192 26064
565 1 11 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.891 0.386 26064
566 1 11 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.582 0.819 26064
567 1 11 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.479 22.026 26064
568 1 11 . 1 1 3 3 CYS H H 3 8.059 8.059 7.988 0.071 26064
569 1 11 . 1 1 4 4 PHE N N 4 119.641 119.641 119.925 -0.284 26064
570 1 11 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.787 0.113 26064
571 1 11 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.225 4.215 26064
572 1 11 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.205 1.387 26064
573 1 11 . 1 1 4 4 PHE H H 4 9.066 9.066 8.512 0.554 26064
574 1 11 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.569 -0.127 26064
575 1 11 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.609 2.736 26064
576 1 11 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.765 3.837 26064
577 1 11 . 1 1 6 6 MET N N 6 116.907 116.907 121.511 -4.604 26064
578 1 11 . 1 1 6 6 MET HA H 6 4.719 4.719 4.809 -0.091 26064
579 1 11 . 1 1 6 6 MET CA C 6 56.502 56.502 55.270 1.232 26064
580 1 11 . 1 1 6 6 MET CB C 6 36.513 36.513 37.647 -1.134 26064
581 1 11 . 1 1 6 6 MET H H 6 7.776 7.776 8.827 -1.051 26064
582 1 11 . 1 1 7 7 GLY N N 7 106.999 106.999 107.696 -0.697 26064
583 1 11 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.741 2.801 26064
584 1 11 . 1 1 7 7 GLY H H 7 7.698 7.698 8.420 -0.722 26064
585 1 11 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.458 -0.331 26064
586 1 11 . 1 1 8 8 PRO CA C 8 67.129 67.129 65.021 2.108 26064
587 1 11 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.146 1.732 26064
588 1 11 . 1 1 9 9 TRP N N 9 114.654 114.654 119.117 -4.463 26064
589 1 11 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.727 0.099 26064
590 1 11 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.136 0.799 26064
591 1 11 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.779 1.772 26064
592 1 11 . 1 1 9 9 TRP H H 9 8.039 8.039 8.350 -0.311 26064
593 1 11 . 1 1 10 10 GLY N N 10 104.947 104.947 106.565 -1.618 26064
594 1 11 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.967 1.310 26064
595 1 11 . 1 1 10 10 GLY H H 10 7.372 7.372 7.940 -0.568 26064
596 1 11 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.591 0.051 26064
597 1 11 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.120 2.638 26064
598 1 11 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.938 5.359 26064
599 1 11 . 1 1 12 12 PHE N N 12 117.526 117.526 120.900 -3.374 26064
600 1 11 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.958 -0.048 26064
601 1 11 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.786 1.746 26064
602 1 11 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.184 3.072 26064
603 1 11 . 1 1 12 12 PHE H H 12 8.446 8.446 7.890 0.556 26064
604 1 11 . 1 1 13 13 CYS N N 13 120.208 120.208 121.966 -1.758 26064
605 1 11 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.874 0.429 26064
606 1 11 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.171 1.018 26064
607 1 11 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.516 21.787 26064
608 1 11 . 1 1 13 13 CYS H H 13 8.718 8.718 8.761 -0.043 26064
609 1 11 . 1 1 14 14 ILE N N 14 124.040 124.040 120.044 3.996 26064
610 1 11 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.786 -0.416 26064
611 1 11 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.038 2.718 26064
612 1 11 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.654 3.820 26064
613 1 11 . 1 1 14 14 ILE H H 14 8.358 8.358 8.002 0.356 26064
614 1 11 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.334 -0.162 26064
615 1 11 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.528 1.826 26064
616 1 11 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.078 1.929 26064
617 1 12 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.570 -0.119 26064
618 1 12 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.688 2.279 26064
619 1 12 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.474 2.822 26064
620 1 12 . 1 1 3 3 CYS N N 3 114.059 114.059 115.251 -1.192 26064
621 1 12 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.893 0.384 26064
622 1 12 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.578 0.823 26064
623 1 12 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.472 22.033 26064
624 1 12 . 1 1 3 3 CYS H H 3 8.059 8.059 7.990 0.069 26064
625 1 12 . 1 1 4 4 PHE N N 4 119.641 119.641 119.945 -0.304 26064
626 1 12 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.788 0.112 26064
627 1 12 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.218 4.222 26064
628 1 12 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.208 1.384 26064
629 1 12 . 1 1 4 4 PHE H H 4 9.066 9.066 8.509 0.557 26064
630 1 12 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.569 -0.127 26064
631 1 12 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.608 2.737 26064
632 1 12 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.765 3.837 26064
633 1 12 . 1 1 6 6 MET N N 6 116.907 116.907 121.537 -4.630 26064
634 1 12 . 1 1 6 6 MET HA H 6 4.719 4.719 4.811 -0.092 26064
635 1 12 . 1 1 6 6 MET CA C 6 56.502 56.502 55.271 1.231 26064
636 1 12 . 1 1 6 6 MET CB C 6 36.513 36.513 37.646 -1.133 26064
637 1 12 . 1 1 6 6 MET H H 6 7.776 7.776 8.827 -1.051 26064
638 1 12 . 1 1 7 7 GLY N N 7 106.999 106.999 107.695 -0.696 26064
639 1 12 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.746 2.796 26064
640 1 12 . 1 1 7 7 GLY H H 7 7.698 7.698 8.422 -0.724 26064
641 1 12 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.441 -0.314 26064
642 1 12 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.989 2.140 26064
643 1 12 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.149 1.729 26064
644 1 12 . 1 1 9 9 TRP N N 9 114.654 114.654 119.152 -4.498 26064
645 1 12 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.714 0.112 26064
646 1 12 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.270 0.665 26064
647 1 12 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.873 1.678 26064
648 1 12 . 1 1 9 9 TRP H H 9 8.039 8.039 8.364 -0.325 26064
649 1 12 . 1 1 10 10 GLY N N 10 104.947 104.947 106.486 -1.539 26064
650 1 12 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.958 1.319 26064
651 1 12 . 1 1 10 10 GLY H H 10 7.372 7.372 7.938 -0.566 26064
652 1 12 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.592 0.050 26064
653 1 12 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.117 2.641 26064
654 1 12 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.944 5.353 26064
655 1 12 . 1 1 12 12 PHE N N 12 117.526 117.526 120.916 -3.390 26064
656 1 12 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.949 -0.039 26064
657 1 12 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.781 1.751 26064
658 1 12 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.181 3.075 26064
659 1 12 . 1 1 12 12 PHE H H 12 8.446 8.446 7.887 0.559 26064
660 1 12 . 1 1 13 13 CYS N N 13 120.208 120.208 121.992 -1.784 26064
661 1 12 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.872 0.431 26064
662 1 12 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.176 1.013 26064
663 1 12 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.503 21.800 26064
664 1 12 . 1 1 13 13 CYS H H 13 8.718 8.718 8.757 -0.039 26064
665 1 12 . 1 1 14 14 ILE N N 14 124.040 124.040 120.050 3.990 26064
666 1 12 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.787 -0.417 26064
667 1 12 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.040 2.716 26064
668 1 12 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.653 3.821 26064
669 1 12 . 1 1 14 14 ILE H H 14 8.358 8.358 8.002 0.356 26064
670 1 12 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.337 -0.165 26064
671 1 12 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.636 1.718 26064
672 1 12 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.079 1.928 26064
673 1 13 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.565 -0.114 26064
674 1 13 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.681 2.286 26064
675 1 13 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.470 2.826 26064
676 1 13 . 1 1 3 3 CYS N N 3 114.059 114.059 115.258 -1.199 26064
677 1 13 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.886 0.391 26064
678 1 13 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.579 0.822 26064
679 1 13 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.445 22.060 26064
680 1 13 . 1 1 3 3 CYS H H 3 8.059 8.059 7.984 0.075 26064
681 1 13 . 1 1 4 4 PHE N N 4 119.641 119.641 119.993 -0.352 26064
682 1 13 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.788 0.112 26064
683 1 13 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.203 4.237 26064
684 1 13 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.187 1.405 26064
685 1 13 . 1 1 4 4 PHE H H 4 9.066 9.066 8.508 0.558 26064
686 1 13 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.569 -0.127 26064
687 1 13 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.606 2.739 26064
688 1 13 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.764 3.838 26064
689 1 13 . 1 1 6 6 MET N N 6 116.907 116.907 121.517 -4.610 26064
690 1 13 . 1 1 6 6 MET HA H 6 4.719 4.719 4.810 -0.091 26064
691 1 13 . 1 1 6 6 MET CA C 6 56.502 56.502 55.272 1.230 26064
692 1 13 . 1 1 6 6 MET CB C 6 36.513 36.513 37.644 -1.131 26064
693 1 13 . 1 1 6 6 MET H H 6 7.776 7.776 8.827 -1.051 26064
694 1 13 . 1 1 7 7 GLY N N 7 106.999 106.999 107.703 -0.704 26064
695 1 13 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.752 2.790 26064
696 1 13 . 1 1 7 7 GLY H H 7 7.698 7.698 8.423 -0.725 26064
697 1 13 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.421 -0.294 26064
698 1 13 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.954 2.175 26064
699 1 13 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.139 1.739 26064
700 1 13 . 1 1 9 9 TRP N N 9 114.654 114.654 119.160 -4.506 26064
701 1 13 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.704 0.122 26064
702 1 13 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.347 0.588 26064
703 1 13 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.944 1.607 26064
704 1 13 . 1 1 9 9 TRP H H 9 8.039 8.039 8.367 -0.328 26064
705 1 13 . 1 1 10 10 GLY N N 10 104.947 104.947 106.416 -1.469 26064
706 1 13 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.952 1.325 26064
707 1 13 . 1 1 10 10 GLY H H 10 7.372 7.372 7.938 -0.566 26064
708 1 13 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.590 0.052 26064
709 1 13 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.116 2.642 26064
710 1 13 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.938 5.359 26064
711 1 13 . 1 1 12 12 PHE N N 12 117.526 117.526 120.901 -3.375 26064
712 1 13 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.939 -0.029 26064
713 1 13 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.774 1.758 26064
714 1 13 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.176 3.080 26064
715 1 13 . 1 1 12 12 PHE H H 12 8.446 8.446 7.883 0.563 26064
716 1 13 . 1 1 13 13 CYS N N 13 120.208 120.208 122.009 -1.801 26064
717 1 13 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.871 0.432 26064
718 1 13 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.169 1.020 26064
719 1 13 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.480 21.823 26064
720 1 13 . 1 1 13 13 CYS H H 13 8.718 8.718 8.753 -0.035 26064
721 1 13 . 1 1 14 14 ILE N N 14 124.040 124.040 120.070 3.970 26064
722 1 13 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.788 -0.418 26064
723 1 13 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.037 2.719 26064
724 1 13 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.658 3.816 26064
725 1 13 . 1 1 14 14 ILE H H 14 8.358 8.358 8.000 0.358 26064
726 1 13 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.343 -0.171 26064
727 1 13 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.683 1.671 26064
728 1 13 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.021 1.986 26064
729 1 14 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.569 -0.118 26064
730 1 14 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.689 2.278 26064
731 1 14 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.475 2.821 26064
732 1 14 . 1 1 3 3 CYS N N 3 114.059 114.059 115.249 -1.190 26064
733 1 14 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.894 0.383 26064
734 1 14 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.579 0.822 26064
735 1 14 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.494 22.011 26064
736 1 14 . 1 1 3 3 CYS H H 3 8.059 8.059 7.989 0.070 26064
737 1 14 . 1 1 4 4 PHE N N 4 119.641 119.641 119.918 -0.277 26064
738 1 14 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.787 0.113 26064
739 1 14 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.227 4.213 26064
740 1 14 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.215 1.377 26064
741 1 14 . 1 1 4 4 PHE H H 4 9.066 9.066 8.515 0.551 26064
742 1 14 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.569 -0.127 26064
743 1 14 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.608 2.737 26064
744 1 14 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.764 3.838 26064
745 1 14 . 1 1 6 6 MET N N 6 116.907 116.907 121.533 -4.626 26064
746 1 14 . 1 1 6 6 MET HA H 6 4.719 4.719 4.811 -0.092 26064
747 1 14 . 1 1 6 6 MET CA C 6 56.502 56.502 55.272 1.230 26064
748 1 14 . 1 1 6 6 MET CB C 6 36.513 36.513 37.638 -1.125 26064
749 1 14 . 1 1 6 6 MET H H 6 7.776 7.776 8.825 -1.049 26064
750 1 14 . 1 1 7 7 GLY N N 7 106.999 106.999 107.693 -0.694 26064
751 1 14 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.747 2.795 26064
752 1 14 . 1 1 7 7 GLY H H 7 7.698 7.698 8.422 -0.724 26064
753 1 14 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.441 -0.314 26064
754 1 14 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.987 2.142 26064
755 1 14 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.151 1.727 26064
756 1 14 . 1 1 9 9 TRP N N 9 114.654 114.654 119.138 -4.484 26064
757 1 14 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.715 0.111 26064
758 1 14 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.259 0.676 26064
759 1 14 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.856 1.695 26064
760 1 14 . 1 1 9 9 TRP H H 9 8.039 8.039 8.372 -0.333 26064
761 1 14 . 1 1 10 10 GLY N N 10 104.947 104.947 106.470 -1.523 26064
762 1 14 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.958 1.319 26064
763 1 14 . 1 1 10 10 GLY H H 10 7.372 7.372 7.939 -0.567 26064
764 1 14 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.591 0.051 26064
765 1 14 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.116 2.642 26064
766 1 14 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.940 5.357 26064
767 1 14 . 1 1 12 12 PHE N N 12 117.526 117.526 120.903 -3.377 26064
768 1 14 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.945 -0.035 26064
769 1 14 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.781 1.751 26064
770 1 14 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.180 3.076 26064
771 1 14 . 1 1 12 12 PHE H H 12 8.446 8.446 7.888 0.558 26064
772 1 14 . 1 1 13 13 CYS N N 13 120.208 120.208 121.963 -1.755 26064
773 1 14 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.873 0.430 26064
774 1 14 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.171 1.018 26064
775 1 14 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.523 21.780 26064
776 1 14 . 1 1 13 13 CYS H H 13 8.718 8.718 8.752 -0.034 26064
777 1 14 . 1 1 14 14 ILE N N 14 124.040 124.040 120.058 3.982 26064
778 1 14 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.787 -0.417 26064
779 1 14 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.050 2.707 26064
780 1 14 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.641 3.833 26064
781 1 14 . 1 1 14 14 ILE H H 14 8.358 8.358 8.003 0.355 26064
782 1 14 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.330 -0.158 26064
783 1 14 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.957 1.397 26064
784 1 14 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.240 1.767 26064
785 1 15 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.573 -0.122 26064
786 1 15 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.693 2.275 26064
787 1 15 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.476 2.820 26064
788 1 15 . 1 1 3 3 CYS N N 3 114.059 114.059 115.256 -1.197 26064
789 1 15 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.903 0.374 26064
790 1 15 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.585 0.816 26064
791 1 15 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.501 22.004 26064
792 1 15 . 1 1 3 3 CYS H H 3 8.059 8.059 7.993 0.066 26064
793 1 15 . 1 1 4 4 PHE N N 4 119.641 119.641 119.946 -0.305 26064
794 1 15 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.795 0.105 26064
795 1 15 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.231 4.209 26064
796 1 15 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.202 1.390 26064
797 1 15 . 1 1 4 4 PHE H H 4 9.066 9.066 8.533 0.533 26064
798 1 15 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.577 -0.135 26064
799 1 15 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.650 2.695 26064
800 1 15 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.831 3.771 26064
801 1 15 . 1 1 6 6 MET N N 6 116.907 116.907 122.008 -5.101 26064
802 1 15 . 1 1 6 6 MET HA H 6 4.719 4.719 4.817 -0.098 26064
803 1 15 . 1 1 6 6 MET CA C 6 56.502 56.502 54.853 1.649 26064
804 1 15 . 1 1 6 6 MET CB C 6 36.513 36.513 37.537 -1.024 26064
805 1 15 . 1 1 6 6 MET H H 6 7.776 7.776 8.897 -1.121 26064
806 1 15 . 1 1 7 7 GLY N N 7 106.999 106.999 108.222 -1.223 26064
807 1 15 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.817 2.725 26064
808 1 15 . 1 1 7 7 GLY H H 7 7.698 7.698 8.421 -0.723 26064
809 1 15 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.380 -0.253 26064
810 1 15 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.855 2.274 26064
811 1 15 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.096 1.782 26064
812 1 15 . 1 1 9 9 TRP N N 9 114.654 114.654 120.116 -5.462 26064
813 1 15 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.655 0.171 26064
814 1 15 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.020 0.915 26064
815 1 15 . 1 1 9 9 TRP CB C 9 31.551 31.551 31.049 0.502 26064
816 1 15 . 1 1 9 9 TRP H H 9 8.039 8.039 8.287 -0.248 26064
817 1 15 . 1 1 10 10 GLY N N 10 104.947 104.947 107.415 -2.468 26064
818 1 15 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.985 1.292 26064
819 1 15 . 1 1 10 10 GLY H H 10 7.372 7.372 7.908 -0.536 26064
820 1 15 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.616 0.026 26064
821 1 15 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.156 2.602 26064
822 1 15 . 1 1 11 11 PRO CB C 11 35.297 35.297 30.004 5.293 26064
823 1 15 . 1 1 12 12 PHE N N 12 117.526 117.526 120.904 -3.378 26064
824 1 15 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.988 -0.078 26064
825 1 15 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.821 1.711 26064
826 1 15 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.273 2.983 26064
827 1 15 . 1 1 12 12 PHE H H 12 8.446 8.446 7.924 0.522 26064
828 1 15 . 1 1 13 13 CYS N N 13 120.208 120.208 121.986 -1.778 26064
829 1 15 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.890 0.413 26064
830 1 15 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.184 1.004 26064
831 1 15 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.544 21.759 26064
832 1 15 . 1 1 13 13 CYS H H 13 8.718 8.718 8.780 -0.062 26064
833 1 15 . 1 1 14 14 ILE N N 14 124.040 124.040 120.055 3.985 26064
834 1 15 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.805 -0.435 26064
835 1 15 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.060 2.696 26064
836 1 15 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.657 3.817 26064
837 1 15 . 1 1 14 14 ILE H H 14 8.358 8.358 8.015 0.343 26064
838 1 15 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.436 -0.264 26064
839 1 15 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.725 1.629 26064
840 1 15 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.191 1.816 26064
841 1 16 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.563 -0.112 26064
842 1 16 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.678 2.289 26064
843 1 16 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.472 2.824 26064
844 1 16 . 1 1 3 3 CYS N N 3 114.059 114.059 115.256 -1.197 26064
845 1 16 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.882 0.395 26064
846 1 16 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.575 0.826 26064
847 1 16 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.428 22.077 26064
848 1 16 . 1 1 3 3 CYS H H 3 8.059 8.059 7.980 0.079 26064
849 1 16 . 1 1 4 4 PHE N N 4 119.641 119.641 120.005 -0.364 26064
850 1 16 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.790 0.110 26064
851 1 16 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.202 4.238 26064
852 1 16 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.177 1.415 26064
853 1 16 . 1 1 4 4 PHE H H 4 9.066 9.066 8.514 0.552 26064
854 1 16 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.580 -0.138 26064
855 1 16 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.655 2.690 26064
856 1 16 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.839 3.763 26064
857 1 16 . 1 1 6 6 MET N N 6 116.907 116.907 122.007 -5.100 26064
858 1 16 . 1 1 6 6 MET HA H 6 4.719 4.719 4.824 -0.105 26064
859 1 16 . 1 1 6 6 MET CA C 6 56.502 56.502 54.860 1.642 26064
860 1 16 . 1 1 6 6 MET CB C 6 36.513 36.513 37.541 -1.028 26064
861 1 16 . 1 1 6 6 MET H H 6 7.776 7.776 8.894 -1.118 26064
862 1 16 . 1 1 7 7 GLY N N 7 106.999 106.999 108.219 -1.220 26064
863 1 16 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.818 2.724 26064
864 1 16 . 1 1 7 7 GLY H H 7 7.698 7.698 8.423 -0.725 26064
865 1 16 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.340 -0.213 26064
866 1 16 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.838 2.291 26064
867 1 16 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.036 1.842 26064
868 1 16 . 1 1 9 9 TRP N N 9 114.654 114.654 119.126 -4.472 26064
869 1 16 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.674 0.152 26064
870 1 16 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.255 0.680 26064
871 1 16 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.079 1.472 26064
872 1 16 . 1 1 9 9 TRP H H 9 8.039 8.039 8.330 -0.291 26064
873 1 16 . 1 1 10 10 GLY N N 10 104.947 104.947 106.157 -1.210 26064
874 1 16 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.938 1.339 26064
875 1 16 . 1 1 10 10 GLY H H 10 7.372 7.372 7.939 -0.567 26064
876 1 16 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.586 0.056 26064
877 1 16 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.108 2.650 26064
878 1 16 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.940 5.357 26064
879 1 16 . 1 1 12 12 PHE N N 12 117.526 117.526 120.916 -3.390 26064
880 1 16 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.929 -0.019 26064
881 1 16 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.776 1.756 26064
882 1 16 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.209 3.047 26064
883 1 16 . 1 1 12 12 PHE H H 12 8.446 8.446 7.880 0.566 26064
884 1 16 . 1 1 13 13 CYS N N 13 120.208 120.208 121.955 -1.747 26064
885 1 16 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.872 0.431 26064
886 1 16 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.163 1.026 26064
887 1 16 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.522 21.781 26064
888 1 16 . 1 1 13 13 CYS H H 13 8.718 8.718 8.749 -0.031 26064
889 1 16 . 1 1 14 14 ILE N N 14 124.040 124.040 120.004 4.036 26064
890 1 16 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.796 -0.426 26064
891 1 16 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.028 2.728 26064
892 1 16 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.678 3.796 26064
893 1 16 . 1 1 14 14 ILE H H 14 8.358 8.358 8.002 0.356 26064
894 1 16 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.446 -0.274 26064
895 1 16 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.555 1.799 26064
896 1 16 . 1 1 15 15 PRO CB C 15 34.007 34.007 31.916 2.091 26064
897 1 17 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.561 -0.110 26064
898 1 17 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.678 2.289 26064
899 1 17 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.464 2.832 26064
900 1 17 . 1 1 3 3 CYS N N 3 114.059 114.059 115.260 -1.201 26064
901 1 17 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.878 0.399 26064
902 1 17 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.578 0.823 26064
903 1 17 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.431 22.074 26064
904 1 17 . 1 1 3 3 CYS H H 3 8.059 8.059 7.977 0.082 26064
905 1 17 . 1 1 4 4 PHE N N 4 119.641 119.641 120.035 -0.394 26064
906 1 17 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.793 0.107 26064
907 1 17 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.196 4.245 26064
908 1 17 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.159 1.433 26064
909 1 17 . 1 1 4 4 PHE H H 4 9.066 9.066 8.532 0.534 26064
910 1 17 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.581 -0.139 26064
911 1 17 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.673 2.672 26064
912 1 17 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.823 3.779 26064
913 1 17 . 1 1 6 6 MET N N 6 116.907 116.907 121.773 -4.866 26064
914 1 17 . 1 1 6 6 MET HA H 6 4.719 4.719 4.826 -0.107 26064
915 1 17 . 1 1 6 6 MET CA C 6 56.502 56.502 54.895 1.607 26064
916 1 17 . 1 1 6 6 MET CB C 6 36.513 36.513 37.600 -1.087 26064
917 1 17 . 1 1 6 6 MET H H 6 7.776 7.776 8.882 -1.106 26064
918 1 17 . 1 1 7 7 GLY N N 7 106.999 106.999 108.168 -1.169 26064
919 1 17 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.808 2.734 26064
920 1 17 . 1 1 7 7 GLY H H 7 7.698 7.698 8.421 -0.723 26064
921 1 17 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.281 -0.154 26064
922 1 17 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.756 2.373 26064
923 1 17 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.913 1.966 26064
924 1 17 . 1 1 9 9 TRP N N 9 114.654 114.654 119.064 -4.410 26064
925 1 17 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.661 0.165 26064
926 1 17 . 1 1 9 9 TRP CA C 9 58.935 58.935 57.965 0.970 26064
927 1 17 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.101 1.450 26064
928 1 17 . 1 1 9 9 TRP H H 9 8.039 8.039 8.267 -0.228 26064
929 1 17 . 1 1 10 10 GLY N N 10 104.947 104.947 106.001 -1.054 26064
930 1 17 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.935 1.341 26064
931 1 17 . 1 1 10 10 GLY H H 10 7.372 7.372 7.944 -0.572 26064
932 1 17 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.579 0.063 26064
933 1 17 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.098 2.660 26064
934 1 17 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.930 5.367 26064
935 1 17 . 1 1 12 12 PHE N N 12 117.526 117.526 120.891 -3.365 26064
936 1 17 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.940 -0.030 26064
937 1 17 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.792 1.740 26064
938 1 17 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.233 3.023 26064
939 1 17 . 1 1 12 12 PHE H H 12 8.446 8.446 7.893 0.553 26064
940 1 17 . 1 1 13 13 CYS N N 13 120.208 120.208 121.897 -1.689 26064
941 1 17 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.876 0.427 26064
942 1 17 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.163 1.026 26064
943 1 17 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.563 21.740 26064
944 1 17 . 1 1 13 13 CYS H H 13 8.718 8.718 8.757 -0.039 26064
945 1 17 . 1 1 14 14 ILE N N 14 124.040 124.040 120.032 4.008 26064
946 1 17 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.806 -0.436 26064
947 1 17 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.058 2.698 26064
948 1 17 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.663 3.811 26064
949 1 17 . 1 1 14 14 ILE H H 14 8.358 8.358 8.008 0.350 26064
950 1 17 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.440 -0.268 26064
951 1 17 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.722 1.632 26064
952 1 17 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.220 1.787 26064
953 1 18 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.578 -0.127 26064
954 1 18 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.689 2.278 26064
955 1 18 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.482 2.814 26064
956 1 18 . 1 1 3 3 CYS N N 3 114.059 114.059 115.408 -1.349 26064
957 1 18 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.926 0.351 26064
958 1 18 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.659 0.742 26064
959 1 18 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.056 22.449 26064
960 1 18 . 1 1 3 3 CYS H H 3 8.059 8.059 8.004 0.055 26064
961 1 18 . 1 1 4 4 PHE N N 4 119.641 119.641 120.259 -0.618 26064
962 1 18 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.792 0.108 26064
963 1 18 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.193 4.247 26064
964 1 18 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.162 1.430 26064
965 1 18 . 1 1 4 4 PHE H H 4 9.066 9.066 8.509 0.557 26064
966 1 18 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.626 -0.184 26064
967 1 18 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.598 2.747 26064
968 1 18 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.676 3.926 26064
969 1 18 . 1 1 6 6 MET N N 6 116.907 116.907 121.308 -4.401 26064
970 1 18 . 1 1 6 6 MET HA H 6 4.719 4.719 4.856 -0.137 26064
971 1 18 . 1 1 6 6 MET CA C 6 56.502 56.502 55.073 1.429 26064
972 1 18 . 1 1 6 6 MET CB C 6 36.513 36.513 37.538 -1.024 26064
973 1 18 . 1 1 6 6 MET H H 6 7.776 7.776 8.612 -0.836 26064
974 1 18 . 1 1 7 7 GLY N N 7 106.999 106.999 107.539 -0.540 26064
975 1 18 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.883 2.659 26064
976 1 18 . 1 1 7 7 GLY H H 7 7.698 7.698 8.481 -0.783 26064
977 1 18 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.370 -0.243 26064
978 1 18 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.888 2.241 26064
979 1 18 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.058 1.820 26064
980 1 18 . 1 1 9 9 TRP N N 9 114.654 114.654 120.286 -5.632 26064
981 1 18 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.608 0.218 26064
982 1 18 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.412 0.523 26064
983 1 18 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.455 1.096 26064
984 1 18 . 1 1 9 9 TRP H H 9 8.039 8.039 8.343 -0.304 26064
985 1 18 . 1 1 10 10 GLY N N 10 104.947 104.947 107.165 -2.218 26064
986 1 18 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.002 1.275 26064
987 1 18 . 1 1 10 10 GLY H H 10 7.372 7.372 7.964 -0.592 26064
988 1 18 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.567 0.075 26064
989 1 18 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.180 2.578 26064
990 1 18 . 1 1 11 11 PRO CB C 11 35.297 35.297 30.068 5.229 26064
991 1 18 . 1 1 12 12 PHE N N 12 117.526 117.526 120.666 -3.140 26064
992 1 18 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.923 -0.013 26064
993 1 18 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.546 1.986 26064
994 1 18 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.162 3.094 26064
995 1 18 . 1 1 12 12 PHE H H 12 8.446 8.446 7.672 0.774 26064
996 1 18 . 1 1 13 13 CYS N N 13 120.208 120.208 121.691 -1.483 26064
997 1 18 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.895 0.408 26064
998 1 18 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.391 0.798 26064
999 1 18 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.032 22.271 26064
1000 1 18 . 1 1 13 13 CYS H H 13 8.718 8.718 8.775 -0.057 26064
1001 1 18 . 1 1 14 14 ILE N N 14 124.040 124.040 120.260 3.780 26064
1002 1 18 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.794 -0.424 26064
1003 1 18 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.046 2.710 26064
1004 1 18 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.649 3.825 26064
1005 1 18 . 1 1 14 14 ILE H H 14 8.358 8.358 8.019 0.339 26064
1006 1 18 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.348 -0.176 26064
1007 1 18 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.672 1.682 26064
1008 1 18 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.005 2.002 26064
1009 1 19 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.569 -0.118 26064
1010 1 19 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.693 2.274 26064
1011 1 19 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.484 2.812 26064
1012 1 19 . 1 1 3 3 CYS N N 3 114.059 114.059 115.224 -1.165 26064
1013 1 19 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.889 0.388 26064
1014 1 19 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.602 0.799 26064
1015 1 19 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.616 21.890 26064
1016 1 19 . 1 1 3 3 CYS H H 3 8.059 8.059 7.990 0.069 26064
1017 1 19 . 1 1 4 4 PHE N N 4 119.641 119.641 119.810 -0.169 26064
1018 1 19 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.809 0.091 26064
1019 1 19 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.261 4.179 26064
1020 1 19 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.230 1.362 26064
1021 1 19 . 1 1 4 4 PHE H H 4 9.066 9.066 8.565 0.501 26064
1022 1 19 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.615 -0.173 26064
1023 1 19 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.694 2.651 26064
1024 1 19 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.767 3.835 26064
1025 1 19 . 1 1 6 6 MET N N 6 116.907 116.907 121.011 -4.104 26064
1026 1 19 . 1 1 6 6 MET HA H 6 4.719 4.719 4.768 -0.049 26064
1027 1 19 . 1 1 6 6 MET CA C 6 56.502 56.502 55.270 1.232 26064
1028 1 19 . 1 1 6 6 MET CB C 6 36.513 36.513 37.661 -1.148 26064
1029 1 19 . 1 1 6 6 MET H H 6 7.776 7.776 8.919 -1.143 26064
1030 1 19 . 1 1 7 7 GLY N N 7 106.999 106.999 107.472 -0.473 26064
1031 1 19 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.399 3.143 26064
1032 1 19 . 1 1 7 7 GLY H H 7 7.698 7.698 8.294 -0.596 26064
1033 1 19 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.168 -0.041 26064
1034 1 19 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.397 2.732 26064
1035 1 19 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.382 2.496 26064
1036 1 19 . 1 1 9 9 TRP N N 9 114.654 114.654 117.331 -2.677 26064
1037 1 19 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.917 -0.091 26064
1038 1 19 . 1 1 9 9 TRP CA C 9 58.935 58.935 57.511 1.424 26064
1039 1 19 . 1 1 9 9 TRP CB C 9 31.551 31.551 29.811 1.740 26064
1040 1 19 . 1 1 9 9 TRP H H 9 8.039 8.039 7.182 0.857 26064
1041 1 19 . 1 1 10 10 GLY N N 10 104.947 104.947 108.240 -3.293 26064
1042 1 19 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.074 1.203 26064
1043 1 19 . 1 1 10 10 GLY H H 10 7.372 7.372 7.997 -0.625 26064
1044 1 19 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.631 0.011 26064
1045 1 19 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.198 2.560 26064
1046 1 19 . 1 1 11 11 PRO CB C 11 35.297 35.297 30.062 5.235 26064
1047 1 19 . 1 1 12 12 PHE N N 12 117.526 117.526 121.102 -3.576 26064
1048 1 19 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.944 -0.034 26064
1049 1 19 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.954 1.578 26064
1050 1 19 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.726 2.530 26064
1051 1 19 . 1 1 12 12 PHE H H 12 8.446 8.446 7.892 0.554 26064
1052 1 19 . 1 1 13 13 CYS N N 13 120.208 120.208 121.916 -1.708 26064
1053 1 19 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.897 0.406 26064
1054 1 19 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.082 1.107 26064
1055 1 19 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.903 21.400 26064
1056 1 19 . 1 1 13 13 CYS H H 13 8.718 8.718 8.761 -0.043 26064
1057 1 19 . 1 1 14 14 ILE N N 14 124.040 124.040 120.041 3.999 26064
1058 1 19 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.823 -0.453 26064
1059 1 19 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.100 2.656 26064
1060 1 19 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.658 3.816 26064
1061 1 19 . 1 1 14 14 ILE H H 14 8.358 8.358 8.025 0.333 26064
1062 1 19 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.344 -0.172 26064
1063 1 19 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.950 1.405 26064
1064 1 19 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.273 1.734 26064
1065 1 20 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.589 -0.138 26064
1066 1 20 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.712 2.255 26064
1067 1 20 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.574 2.722 26064
1068 1 20 . 1 1 3 3 CYS N N 3 114.059 114.059 115.069 -1.010 26064
1069 1 20 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.931 0.346 26064
1070 1 20 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.500 0.901 26064
1071 1 20 . 1 1 3 3 CYS CB C 3 50.505 50.505 29.179 21.326 26064
1072 1 20 . 1 1 3 3 CYS H H 3 8.059 8.059 8.015 0.044 26064
1073 1 20 . 1 1 4 4 PHE N N 4 119.641 119.641 119.236 0.405 26064
1074 1 20 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.785 0.115 26064
1075 1 20 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.428 4.012 26064
1076 1 20 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.356 1.236 26064
1077 1 20 . 1 1 4 4 PHE H H 4 9.066 9.066 8.618 0.448 26064
1078 1 20 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.579 -0.137 26064
1079 1 20 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.670 2.675 26064
1080 1 20 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.759 3.843 26064
1081 1 20 . 1 1 6 6 MET N N 6 116.907 116.907 121.225 -4.318 26064
1082 1 20 . 1 1 6 6 MET HA H 6 4.719 4.719 4.821 -0.102 26064
1083 1 20 . 1 1 6 6 MET CA C 6 56.502 56.502 55.231 1.271 26064
1084 1 20 . 1 1 6 6 MET CB C 6 36.513 36.513 37.733 -1.220 26064
1085 1 20 . 1 1 6 6 MET H H 6 7.776 7.776 8.844 -1.068 26064
1086 1 20 . 1 1 7 7 GLY N N 7 106.999 106.999 107.719 -0.720 26064
1087 1 20 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.762 2.780 26064
1088 1 20 . 1 1 7 7 GLY H H 7 7.698 7.698 8.431 -0.733 26064
1089 1 20 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.436 -0.309 26064
1090 1 20 . 1 1 8 8 PRO CA C 8 67.129 67.129 65.055 2.074 26064
1091 1 20 . 1 1 8 8 PRO CB C 8 33.878 33.878 32.234 1.644 26064
1092 1 20 . 1 1 9 9 TRP N N 9 114.654 114.654 118.933 -4.279 26064
1093 1 20 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.666 0.160 26064
1094 1 20 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.042 0.893 26064
1095 1 20 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.726 0.825 26064
1096 1 20 . 1 1 9 9 TRP H H 9 8.039 8.039 8.442 -0.403 26064
1097 1 20 . 1 1 10 10 GLY N N 10 104.947 104.947 106.421 -1.474 26064
1098 1 20 . 1 1 10 10 GLY CA C 10 46.277 46.277 45.041 1.236 26064
1099 1 20 . 1 1 10 10 GLY H H 10 7.372 7.372 7.957 -0.585 26064
1100 1 20 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.595 0.047 26064
1101 1 20 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.134 2.624 26064
1102 1 20 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.991 5.306 26064
1103 1 20 . 1 1 12 12 PHE N N 12 117.526 117.526 120.837 -3.311 26064
1104 1 20 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.972 -0.062 26064
1105 1 20 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.847 1.685 26064
1106 1 20 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.359 2.897 26064
1107 1 20 . 1 1 12 12 PHE H H 12 8.446 8.446 7.908 0.538 26064
1108 1 20 . 1 1 13 13 CYS N N 13 120.208 120.208 121.033 -0.825 26064
1109 1 20 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.890 0.413 26064
1110 1 20 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.243 0.946 26064
1111 1 20 . 1 1 13 13 CYS CB C 13 50.303 50.303 29.083 21.220 26064
1112 1 20 . 1 1 13 13 CYS H H 13 8.718 8.718 8.725 -0.007 26064
1113 1 20 . 1 1 14 14 ILE N N 14 124.040 124.040 118.775 5.265 26064
1114 1 20 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.852 -0.482 26064
1115 1 20 . 1 1 14 14 ILE CA C 14 60.756 60.756 57.723 3.033 26064
1116 1 20 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.939 3.535 26064
1117 1 20 . 1 1 14 14 ILE H H 14 8.358 8.358 8.375 -0.017 26064
1118 1 20 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.515 -0.343 26064
1119 1 20 . 1 1 15 15 PRO CA C 15 66.354 66.354 63.428 2.926 26064
1120 1 20 . 1 1 15 15 PRO CB C 15 34.007 34.007 31.056 2.951 26064
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 9 2.964 1.427 2.755 26064
2 1 1 "Average Difference" HA 16 0.314 -0.079 0.314 26064
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26064
4 1 1 "Average Difference" CA 14 2.285 -2.078 0.988 26064
5 1 1 "Average Difference" CB 12 9.240 -5.608 7.670 26064
6 1 1 "Average Difference" HN 9 0.550 0.128 0.567 26064
7 1 2 "Average Difference" N 9 2.896 1.375 2.703 26064
8 1 2 "Average Difference" HA 16 0.313 -0.087 0.310 26064
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26064
10 1 2 "Average Difference" CA 14 2.285 -2.099 0.937 26064
11 1 2 "Average Difference" CB 12 9.248 -5.637 7.657 26064
12 1 2 "Average Difference" HN 9 0.549 0.126 0.567 26064
13 1 3 "Average Difference" N 9 3.030 1.495 2.795 26064
14 1 3 "Average Difference" HA 16 0.313 -0.083 0.312 26064
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26064
16 1 3 "Average Difference" CA 14 2.284 -2.103 0.926 26064
17 1 3 "Average Difference" CB 12 9.232 -5.607 7.660 26064
18 1 3 "Average Difference" HN 9 0.564 0.135 0.581 26064
19 1 4 "Average Difference" N 9 3.054 1.579 2.772 26064
20 1 4 "Average Difference" HA 16 0.323 -0.072 0.325 26064
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26064
22 1 4 "Average Difference" CA 14 2.289 -2.110 0.922 26064
23 1 4 "Average Difference" CB 12 9.239 -5.654 7.632 26064
24 1 4 "Average Difference" HN 9 0.551 0.118 0.570 26064
25 1 5 "Average Difference" N 9 3.215 1.655 2.923 26064
26 1 5 "Average Difference" HA 16 0.335 -0.086 0.334 26064
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26064
28 1 5 "Average Difference" CA 14 2.311 -2.114 0.970 26064
29 1 5 "Average Difference" CB 12 9.217 -5.560 7.678 26064
30 1 5 "Average Difference" HN 9 0.524 0.117 0.542 26064
31 1 6 "Average Difference" N 9 3.010 1.537 2.745 26064
32 1 6 "Average Difference" HA 16 0.326 -0.082 0.326 26064
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26064
34 1 6 "Average Difference" CA 14 2.301 -2.120 0.928 26064
35 1 6 "Average Difference" CB 12 9.242 -5.672 7.621 26064
36 1 6 "Average Difference" HN 9 0.552 0.106 0.574 26064
37 1 7 "Average Difference" N 9 3.246 1.677 2.948 26064
38 1 7 "Average Difference" HA 16 0.321 -0.077 0.322 26064
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26064
40 1 7 "Average Difference" CA 14 2.263 -2.074 0.941 26064
41 1 7 "Average Difference" CB 12 9.194 -5.491 7.702 26064
42 1 7 "Average Difference" HN 9 0.537 0.132 0.553 26064
43 1 8 "Average Difference" N 9 3.063 1.560 2.796 26064
44 1 8 "Average Difference" HA 16 0.318 -0.066 0.321 26064
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26064
46 1 8 "Average Difference" CA 14 2.268 -2.088 0.921 26064
47 1 8 "Average Difference" CB 12 9.228 -5.620 7.644 26064
48 1 8 "Average Difference" HN 9 0.563 0.138 0.579 26064
49 1 9 "Average Difference" N 9 2.979 1.470 2.748 26064
50 1 9 "Average Difference" HA 16 0.319 -0.067 0.323 26064
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26064
52 1 9 "Average Difference" CA 14 2.271 -2.075 0.958 26064
53 1 9 "Average Difference" CB 12 9.238 -5.629 7.651 26064
54 1 9 "Average Difference" HN 9 0.547 0.129 0.564 26064
55 1 10 "Average Difference" N 9 3.243 1.686 2.939 26064
56 1 10 "Average Difference" HA 16 0.328 -0.074 0.330 26064
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26064
58 1 10 "Average Difference" CA 14 2.287 -2.097 0.948 26064
59 1 10 "Average Difference" CB 12 9.178 -5.535 7.646 26064
60 1 10 "Average Difference" HN 9 0.542 0.135 0.557 26064
61 1 11 "Average Difference" N 9 2.909 1.555 2.608 26064
62 1 11 "Average Difference" HA 16 0.319 -0.080 0.319 26064
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26064
64 1 11 "Average Difference" CA 14 2.221 -2.018 0.963 26064
65 1 11 "Average Difference" CB 12 9.347 -5.701 7.736 26064
66 1 11 "Average Difference" HN 9 0.557 0.129 0.575 26064
67 1 12 "Average Difference" N 9 2.918 1.560 2.615 26064
68 1 12 "Average Difference" HA 16 0.318 -0.081 0.317 26064
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26064
70 1 12 "Average Difference" CA 14 2.215 -2.004 0.980 26064
71 1 12 "Average Difference" CB 12 9.349 -5.694 7.745 26064
72 1 12 "Average Difference" HN 9 0.559 0.129 0.577 26064
73 1 13 "Average Difference" N 9 2.909 1.561 2.604 26064
74 1 13 "Average Difference" HA 16 0.317 -0.084 0.316 26064
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26064
76 1 13 "Average Difference" CA 14 2.217 -2.000 0.991 26064
77 1 13 "Average Difference" CB 12 9.359 -5.701 7.753 26064
78 1 13 "Average Difference" HN 9 0.560 0.128 0.578 26064
79 1 14 "Average Difference" N 9 2.909 1.549 2.611 26064
80 1 14 "Average Difference" HA 16 0.317 -0.081 0.317 26064
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26064
82 1 14 "Average Difference" CA 14 2.197 -1.980 0.987 26064
83 1 14 "Average Difference" CB 12 9.339 -5.680 7.743 26064
84 1 14 "Average Difference" HN 9 0.558 0.130 0.576 26064
85 1 15 "Average Difference" N 9 3.256 1.881 2.819 26064
86 1 15 "Average Difference" HA 16 0.327 -0.080 0.327 26064
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26064
88 1 15 "Average Difference" CA 14 2.224 -2.035 0.932 26064
89 1 15 "Average Difference" CB 12 9.314 -5.576 7.792 26064
90 1 15 "Average Difference" HN 9 0.559 0.136 0.575 26064
91 1 16 "Average Difference" N 9 3.007 1.629 2.680 26064
92 1 16 "Average Difference" HA 16 0.319 -0.083 0.319 26064
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 26064
94 1 16 "Average Difference" CA 14 2.245 -2.048 0.954 26064
95 1 16 "Average Difference" CB 12 9.351 -5.703 7.740 26064
96 1 16 "Average Difference" HN 9 0.572 0.131 0.590 26064
97 1 17 "Average Difference" N 9 2.933 1.571 2.627 26064
98 1 17 "Average Difference" HA 16 0.321 -0.089 0.318 26064
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 26064
100 1 17 "Average Difference" CA 14 2.246 -2.058 0.933 26064
101 1 17 "Average Difference" CB 12 9.341 -5.681 7.744 26064
102 1 17 "Average Difference" HN 9 0.562 0.128 0.581 26064
103 1 18 "Average Difference" N 9 3.070 1.733 2.688 26064
104 1 18 "Average Difference" HA 16 0.314 -0.081 0.313 26064
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 26064
106 1 18 "Average Difference" CA 14 2.216 -1.992 1.007 26064
107 1 18 "Average Difference" CB 12 9.515 -5.744 7.923 26064
108 1 18 "Average Difference" HN 9 0.556 0.094 0.582 26064
109 1 19 "Average Difference" N 9 2.752 1.463 2.472 26064
110 1 19 "Average Difference" HA 16 0.351 -0.105 0.346 26064
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 26064
112 1 19 "Average Difference" CA 14 2.267 -2.067 0.965 26064
113 1 19 "Average Difference" CB 12 9.236 -5.642 7.637 26064
114 1 19 "Average Difference" HN 9 0.620 0.010 0.658 26064
115 1 20 "Average Difference" N 9 2.985 1.141 2.926 26064
116 1 20 "Average Difference" HA 16 0.331 -0.063 0.336 26064
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 26064
118 1 20 "Average Difference" CA 14 2.291 -2.094 0.966 26064
119 1 20 "Average Difference" CB 12 9.089 -5.524 7.539 26064
120 1 20 "Average Difference" HN 9 0.545 0.198 0.539 26064
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 26064
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PRO HA H 2 4.451 4.451 4.570 -0.120 26064
2 1 . 1 1 2 2 PRO CA C 2 64.967 64.967 62.678 2.289 26064
3 1 . 1 1 2 2 PRO CB C 2 35.296 35.296 32.525 2.771 26064
4 1 . 1 1 3 3 CYS N N 3 114.059 114.059 115.243 -1.184 26064
5 1 . 1 1 3 3 CYS HA H 3 5.277 5.277 4.908 0.369 26064
6 1 . 1 1 3 3 CYS CA C 3 58.401 58.401 57.572 0.829 26064
7 1 . 1 1 3 3 CYS CB C 3 50.505 50.505 28.570 21.935 26064
8 1 . 1 1 3 3 CYS H H 3 8.059 8.059 7.990 0.069 26064
9 1 . 1 1 4 4 PHE N N 4 119.641 119.641 119.921 -0.280 26064
10 1 . 1 1 4 4 PHE HA H 4 4.900 4.900 4.797 0.103 26064
11 1 . 1 1 4 4 PHE CA C 4 59.440 59.440 55.254 4.186 26064
12 1 . 1 1 4 4 PHE CB C 4 43.592 43.592 42.224 1.368 26064
13 1 . 1 1 4 4 PHE H H 4 9.066 9.066 8.550 0.516 26064
14 1 . 1 1 5 5 PRO HA H 5 4.442 4.442 4.577 -0.135 26064
15 1 . 1 1 5 5 PRO CA C 5 66.345 66.345 63.641 2.704 26064
16 1 . 1 1 5 5 PRO CB C 5 34.602 34.602 30.784 3.818 26064
17 1 . 1 1 6 6 MET N N 6 116.907 116.907 121.639 -4.732 26064
18 1 . 1 1 6 6 MET HA H 6 4.719 4.719 4.815 -0.096 26064
19 1 . 1 1 6 6 MET CA C 6 56.502 56.502 55.095 1.407 26064
20 1 . 1 1 6 6 MET CB C 6 36.513 36.513 37.627 -1.114 26064
21 1 . 1 1 6 6 MET H H 6 7.776 7.776 8.851 -1.075 26064
22 1 . 1 1 7 7 GLY N N 7 106.999 106.999 107.870 -0.871 26064
23 1 . 1 1 7 7 GLY CA C 7 47.542 47.542 44.747 2.795 26064
24 1 . 1 1 7 7 GLY H H 7 7.698 7.698 8.414 -0.716 26064
25 1 . 1 1 8 8 PRO HA H 8 4.127 4.127 4.366 -0.239 26064
26 1 . 1 1 8 8 PRO CA C 8 67.129 67.129 64.863 2.265 26064
27 1 . 1 1 8 8 PRO CB C 8 33.878 33.878 31.996 1.882 26064
28 1 . 1 1 9 9 TRP N N 9 114.654 114.654 119.252 -4.598 26064
29 1 . 1 1 9 9 TRP HA H 9 4.826 4.826 4.704 0.122 26064
30 1 . 1 1 9 9 TRP CA C 9 58.935 58.935 58.097 0.837 26064
31 1 . 1 1 9 9 TRP CB C 9 31.551 31.551 30.146 1.405 26064
32 1 . 1 1 9 9 TRP H H 9 8.039 8.039 8.229 -0.190 26064
33 1 . 1 1 10 10 GLY N N 10 104.947 104.947 106.723 -1.776 26064
34 1 . 1 1 10 10 GLY CA C 10 46.277 46.277 44.965 1.312 26064
35 1 . 1 1 10 10 GLY H H 10 7.372 7.372 7.931 -0.559 26064
36 1 . 1 1 11 11 PRO HA H 11 4.642 4.642 4.589 0.053 26064
37 1 . 1 1 11 11 PRO CA C 11 65.758 65.758 63.120 2.638 26064
38 1 . 1 1 11 11 PRO CB C 11 35.297 35.297 29.951 5.346 26064
39 1 . 1 1 12 12 PHE N N 12 117.526 117.526 120.892 -3.366 26064
40 1 . 1 1 12 12 PHE HA H 12 4.910 4.910 4.974 -0.064 26064
41 1 . 1 1 12 12 PHE CA C 12 57.532 57.532 55.823 1.709 26064
42 1 . 1 1 12 12 PHE CB C 12 44.256 44.256 41.320 2.935 26064
43 1 . 1 1 12 12 PHE H H 12 8.446 8.446 7.893 0.553 26064
44 1 . 1 1 13 13 CYS N N 13 120.208 120.208 121.692 -1.484 26064
45 1 . 1 1 13 13 CYS HA H 13 5.303 5.303 4.909 0.394 26064
46 1 . 1 1 13 13 CYS CA C 13 58.189 58.189 57.160 1.028 26064
47 1 . 1 1 13 13 CYS CB C 13 50.303 50.303 28.743 21.560 26064
48 1 . 1 1 13 13 CYS H H 13 8.718 8.718 8.760 -0.042 26064
49 1 . 1 1 14 14 ILE N N 14 124.040 124.040 119.744 4.296 26064
50 1 . 1 1 14 14 ILE HA H 14 4.370 4.370 4.801 -0.431 26064
51 1 . 1 1 14 14 ILE CA C 14 60.756 60.756 58.018 2.739 26064
52 1 . 1 1 14 14 ILE CB C 14 42.474 42.474 38.716 3.758 26064
53 1 . 1 1 14 14 ILE H H 14 8.358 8.358 8.030 0.328 26064
54 1 . 1 1 15 15 PRO HA H 15 4.172 4.172 4.405 -0.233 26064
55 1 . 1 1 15 15 PRO CA C 15 66.354 66.354 64.215 2.139 26064
56 1 . 1 1 15 15 PRO CB C 15 34.007 34.007 32.076 1.931 26064
stop_
save_