data_25804
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25804
_Entry.PDB_ID 2N7F
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 25804
_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 ASP N N 2 121.625 121.625 122.790 -1.165 25804
2 1 1 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.797 -0.019 25804
3 1 1 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.904 -1.129 25804
4 1 1 . 1 1 2 2 ASP CB C 2 37.967 37.967 39.425 -1.458 25804
5 1 1 . 1 1 2 2 ASP H H 2 8.669 8.669 8.592 0.077 25804
6 1 1 . 1 1 3 3 CYS N N 3 113.713 113.713 115.656 -1.943 25804
7 1 1 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.504 0.286 25804
8 1 1 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.056 -3.144 25804
9 1 1 . 1 1 3 3 CYS CB C 3 43.345 43.345 29.887 13.458 25804
10 1 1 . 1 1 3 3 CYS H H 3 7.661 7.661 7.835 -0.174 25804
11 1 1 . 1 1 4 4 GLN N N 4 118.330 118.330 118.482 -0.152 25804
12 1 1 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.657 -0.217 25804
13 1 1 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.994 1.100 25804
14 1 1 . 1 1 4 4 GLN H H 4 8.770 8.770 8.422 0.348 25804
15 1 1 . 1 1 5 5 GLU N N 5 120.832 120.832 121.252 -0.420 25804
16 1 1 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.158 -0.115 25804
17 1 1 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.076 -3.154 25804
18 1 1 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.507 -1.180 25804
19 1 1 . 1 1 5 5 GLU H H 5 7.629 7.629 8.824 -1.195 25804
20 1 1 . 1 1 6 6 LYS N N 6 119.543 119.543 118.933 0.610 25804
21 1 1 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.034 -0.883 25804
22 1 1 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.149 -0.134 25804
23 1 1 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.154 0.234 25804
24 1 1 . 1 1 6 6 LYS H H 6 7.670 7.670 8.600 -0.930 25804
25 1 1 . 1 1 7 7 TRP N N 7 115.545 115.545 117.824 -2.279 25804
26 1 1 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.761 -0.713 25804
27 1 1 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.234 2.483 25804
28 1 1 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.434 -1.139 25804
29 1 1 . 1 1 7 7 TRP H H 7 8.913 8.913 8.150 0.763 25804
30 1 1 . 1 1 8 8 GLU N N 8 115.184 115.184 118.956 -3.772 25804
31 1 1 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.173 0.240 25804
32 1 1 . 1 1 8 8 GLU CB C 8 29.536 29.536 29.539 -0.003 25804
33 1 1 . 1 1 8 8 GLU H H 8 7.779 7.779 7.481 0.298 25804
34 1 1 . 1 1 9 9 TYR N N 9 118.021 118.021 116.357 1.664 25804
35 1 1 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.568 0.356 25804
36 1 1 . 1 1 9 9 TYR CA C 9 59.058 59.058 59.695 -0.637 25804
37 1 1 . 1 1 9 9 TYR CB C 9 39.219 39.219 40.404 -1.185 25804
38 1 1 . 1 1 9 9 TYR H H 9 7.863 7.863 8.513 -0.650 25804
39 1 1 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.223 0.710 25804
40 1 1 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.193 -4.372 25804
41 1 1 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.859 14.710 25804
42 1 1 . 1 1 10 10 CYS H H 10 8.273 8.273 8.280 -0.007 25804
43 1 1 . 1 1 11 11 ILE N N 11 115.502 115.502 123.963 -8.461 25804
44 1 1 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.547 -0.137 25804
45 1 1 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.777 2.335 25804
46 1 1 . 1 1 11 11 ILE H H 11 8.313 8.313 8.062 0.251 25804
47 1 1 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.101 0.420 25804
48 1 1 . 1 1 12 12 VAL CA C 12 57.736 57.736 60.003 -2.267 25804
49 1 1 . 1 1 12 12 VAL CB C 12 34.704 34.704 31.457 3.247 25804
50 1 1 . 1 1 12 12 VAL H H 12 8.218 8.218 8.009 0.209 25804
51 1 1 . 1 1 13 13 PRO HA H 13 4.119 4.119 2.864 1.255 25804
52 1 1 . 1 1 13 13 PRO CA C 13 64.402 64.402 62.857 1.545 25804
53 1 1 . 1 1 13 13 PRO CB C 13 31.742 31.742 30.448 1.294 25804
54 1 1 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.462 -0.345 25804
55 1 1 . 1 1 14 14 ILE CA C 14 55.871 55.871 58.812 -2.941 25804
56 1 1 . 1 1 14 14 ILE CB C 14 42.329 42.329 40.564 1.765 25804
57 1 1 . 1 1 14 14 ILE H H 14 7.703 7.703 7.448 0.255 25804
58 1 1 . 1 1 16 16 GLY N N 16 106.027 106.027 114.502 -8.475 25804
59 1 1 . 1 1 16 16 GLY CA C 16 45.406 45.406 45.347 0.059 25804
60 1 1 . 1 1 16 16 GLY H H 16 7.983 7.983 8.625 -0.642 25804
61 1 1 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.660 -0.151 25804
62 1 1 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.881 -0.378 25804
63 1 1 . 1 1 17 17 PHE H H 17 7.690 7.690 7.568 0.122 25804
64 1 1 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.232 0.661 25804
65 1 1 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.578 -2.850 25804
66 1 1 . 1 1 18 18 VAL CB C 18 35.994 35.994 32.342 3.652 25804
67 1 1 . 1 1 18 18 VAL H H 18 7.549 7.549 8.325 -0.776 25804
68 1 1 . 1 1 19 19 TYR HA H 19 4.419 4.419 5.139 -0.720 25804
69 1 1 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.528 -0.318 25804
70 1 1 . 1 1 19 19 TYR H H 19 7.528 7.528 7.903 -0.375 25804
71 1 1 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.939 -0.027 25804
72 1 1 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.021 -1.976 25804
73 1 1 . 1 1 20 20 CYS CB C 20 40.529 40.529 27.262 13.267 25804
74 1 1 . 1 1 20 20 CYS H H 20 8.399 8.399 8.643 -0.244 25804
75 1 1 . 1 1 21 21 CYS N N 21 121.142 121.142 123.815 -2.673 25804
76 1 1 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.344 0.284 25804
77 1 1 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.604 -6.298 25804
78 1 1 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.367 11.359 25804
79 1 1 . 1 1 21 21 CYS H H 21 9.291 9.291 8.697 0.594 25804
80 1 1 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.359 -0.143 25804
81 1 1 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.434 -0.192 25804
82 1 1 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.909 -0.160 25804
83 1 1 . 1 1 23 23 GLY N N 23 111.521 111.521 109.546 1.975 25804
84 1 1 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.830 -0.211 25804
85 1 1 . 1 1 23 23 GLY H H 23 8.603 8.603 8.584 0.019 25804
86 1 1 . 1 1 24 24 LEU N N 24 119.440 119.440 120.048 -0.608 25804
87 1 1 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.987 -0.281 25804
88 1 1 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.356 -0.664 25804
89 1 1 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.836 -0.451 25804
90 1 1 . 1 1 24 24 LEU H H 24 7.774 7.774 7.402 0.372 25804
91 1 1 . 1 1 25 25 ILE N N 25 114.487 114.487 116.473 -1.986 25804
92 1 1 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.588 -0.150 25804
93 1 1 . 1 1 25 25 ILE CB C 25 42.336 42.336 39.705 2.631 25804
94 1 1 . 1 1 25 25 ILE H H 25 8.265 8.265 8.613 -0.348 25804
95 1 1 . 1 1 26 26 CYS N N 26 123.741 123.741 125.784 -2.043 25804
96 1 1 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.731 -0.107 25804
97 1 1 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.696 -2.781 25804
98 1 1 . 1 1 26 26 CYS CB C 26 39.778 39.778 26.552 13.226 25804
99 1 1 . 1 1 26 26 CYS H H 26 8.668 8.668 8.752 -0.084 25804
100 1 1 . 1 1 27 27 GLY N N 27 118.253 118.253 114.854 3.399 25804
101 1 1 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.253 -3.241 25804
102 1 1 . 1 1 27 27 GLY H H 27 8.330 8.330 8.986 -0.656 25804
103 1 1 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.348 0.142 25804
104 1 1 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.458 -2.871 25804
105 1 1 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.907 -4.039 25804
106 1 1 . 1 1 29 29 PHE N N 29 110.773 110.773 112.084 -1.311 25804
107 1 1 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.454 -0.811 25804
108 1 1 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.377 -7.016 25804
109 1 1 . 1 1 29 29 PHE CB C 29 37.549 37.549 39.732 -2.183 25804
110 1 1 . 1 1 29 29 PHE H H 29 8.257 8.257 8.131 0.126 25804
111 1 1 . 1 1 30 30 VAL N N 30 108.125 108.125 111.904 -3.779 25804
112 1 1 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.421 0.577 25804
113 1 1 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.161 -0.942 25804
114 1 1 . 1 1 30 30 VAL CB C 30 36.646 36.646 33.587 3.059 25804
115 1 1 . 1 1 30 30 VAL H H 30 6.842 6.842 7.473 -0.631 25804
116 1 1 . 1 1 31 31 CYS N N 31 121.703 121.703 117.531 4.172 25804
117 1 1 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.246 -0.315 25804
118 1 1 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.299 -4.007 25804
119 1 1 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.264 13.469 25804
120 1 1 . 1 1 31 31 CYS H H 31 8.515 8.515 8.026 0.489 25804
121 1 2 . 1 1 2 2 ASP N N 2 121.625 121.625 122.721 -1.096 25804
122 1 2 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.633 0.145 25804
123 1 2 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.892 -2.118 25804
124 1 2 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.646 -2.679 25804
125 1 2 . 1 1 2 2 ASP H H 2 8.669 8.669 8.504 0.165 25804
126 1 2 . 1 1 3 3 CYS N N 3 113.713 113.713 119.605 -5.892 25804
127 1 2 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.045 -0.255 25804
128 1 2 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.680 -2.768 25804
129 1 2 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.675 12.670 25804
130 1 2 . 1 1 3 3 CYS H H 3 7.661 7.661 8.038 -0.377 25804
131 1 2 . 1 1 4 4 GLN N N 4 118.330 118.330 118.943 -0.613 25804
132 1 2 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.659 -0.219 25804
133 1 2 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.043 1.051 25804
134 1 2 . 1 1 4 4 GLN H H 4 8.770 8.770 8.520 0.250 25804
135 1 2 . 1 1 5 5 GLU N N 5 120.832 120.832 121.019 -0.187 25804
136 1 2 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.168 -0.125 25804
137 1 2 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.215 -3.293 25804
138 1 2 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.454 -1.127 25804
139 1 2 . 1 1 5 5 GLU H H 5 7.629 7.629 8.827 -1.198 25804
140 1 2 . 1 1 6 6 LYS N N 6 119.543 119.543 120.457 -0.914 25804
141 1 2 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.046 -0.895 25804
142 1 2 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.117 -0.102 25804
143 1 2 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.286 0.102 25804
144 1 2 . 1 1 6 6 LYS H H 6 7.670 7.670 8.653 -0.983 25804
145 1 2 . 1 1 7 7 TRP N N 7 115.545 115.545 118.453 -2.908 25804
146 1 2 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.691 -0.643 25804
147 1 2 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.529 2.188 25804
148 1 2 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.817 -1.522 25804
149 1 2 . 1 1 7 7 TRP H H 7 8.913 8.913 7.967 0.946 25804
150 1 2 . 1 1 8 8 GLU N N 8 115.184 115.184 117.278 -2.094 25804
151 1 2 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.225 0.188 25804
152 1 2 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.558 -1.022 25804
153 1 2 . 1 1 8 8 GLU H H 8 7.779 7.779 7.271 0.508 25804
154 1 2 . 1 1 9 9 TYR N N 9 118.021 118.021 118.206 -0.185 25804
155 1 2 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.451 0.473 25804
156 1 2 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.051 -0.993 25804
157 1 2 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.435 0.784 25804
158 1 2 . 1 1 9 9 TYR H H 9 7.863 7.863 8.486 -0.623 25804
159 1 2 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.243 0.690 25804
160 1 2 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.091 -4.270 25804
161 1 2 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.426 14.143 25804
162 1 2 . 1 1 10 10 CYS H H 10 8.273 8.273 8.353 -0.080 25804
163 1 2 . 1 1 11 11 ILE N N 11 115.502 115.502 117.070 -1.568 25804
164 1 2 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.321 0.089 25804
165 1 2 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.529 2.583 25804
166 1 2 . 1 1 11 11 ILE H H 11 8.313 8.313 7.472 0.841 25804
167 1 2 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.266 0.255 25804
168 1 2 . 1 1 12 12 VAL CA C 12 57.736 57.736 60.129 -2.393 25804
169 1 2 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.134 2.570 25804
170 1 2 . 1 1 12 12 VAL H H 12 8.218 8.218 8.194 0.024 25804
171 1 2 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.612 -0.493 25804
172 1 2 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.302 1.100 25804
173 1 2 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.741 -0.999 25804
174 1 2 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.265 -0.148 25804
175 1 2 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.897 -4.026 25804
176 1 2 . 1 1 14 14 ILE CB C 14 42.329 42.329 41.647 0.682 25804
177 1 2 . 1 1 14 14 ILE H H 14 7.703 7.703 7.256 0.447 25804
178 1 2 . 1 1 16 16 GLY N N 16 106.027 106.027 113.137 -7.110 25804
179 1 2 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.730 0.676 25804
180 1 2 . 1 1 16 16 GLY H H 16 7.983 7.983 8.483 -0.500 25804
181 1 2 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.701 -0.192 25804
182 1 2 . 1 1 17 17 PHE CB C 17 39.503 39.503 40.328 -0.825 25804
183 1 2 . 1 1 17 17 PHE H H 17 7.690 7.690 7.396 0.294 25804
184 1 2 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.226 0.667 25804
185 1 2 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.971 -1.243 25804
186 1 2 . 1 1 18 18 VAL CB C 18 35.994 35.994 35.441 0.553 25804
187 1 2 . 1 1 18 18 VAL H H 18 7.549 7.549 8.161 -0.612 25804
188 1 2 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.423 -0.004 25804
189 1 2 . 1 1 19 19 TYR CB C 19 39.210 39.210 38.845 0.365 25804
190 1 2 . 1 1 19 19 TYR H H 19 7.528 7.528 8.093 -0.565 25804
191 1 2 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.684 0.228 25804
192 1 2 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.451 -2.406 25804
193 1 2 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.983 13.546 25804
194 1 2 . 1 1 20 20 CYS H H 20 8.399 8.399 8.790 -0.391 25804
195 1 2 . 1 1 21 21 CYS N N 21 121.142 121.142 122.374 -1.232 25804
196 1 2 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.444 0.184 25804
197 1 2 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.912 -6.606 25804
198 1 2 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.170 11.556 25804
199 1 2 . 1 1 21 21 CYS H H 21 9.291 9.291 8.843 0.448 25804
200 1 2 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.304 -0.088 25804
201 1 2 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.422 -0.180 25804
202 1 2 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.748 0.001 25804
203 1 2 . 1 1 23 23 GLY N N 23 111.521 111.521 109.919 1.602 25804
204 1 2 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.766 -0.148 25804
205 1 2 . 1 1 23 23 GLY H H 23 8.603 8.603 8.543 0.060 25804
206 1 2 . 1 1 24 24 LEU N N 24 119.440 119.440 120.720 -1.280 25804
207 1 2 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.858 -0.152 25804
208 1 2 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.614 -0.922 25804
209 1 2 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.254 0.131 25804
210 1 2 . 1 1 24 24 LEU H H 24 7.774 7.774 7.345 0.429 25804
211 1 2 . 1 1 25 25 ILE N N 25 114.487 114.487 115.651 -1.164 25804
212 1 2 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.582 -0.144 25804
213 1 2 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.885 1.451 25804
214 1 2 . 1 1 25 25 ILE H H 25 8.265 8.265 8.858 -0.593 25804
215 1 2 . 1 1 26 26 CYS N N 26 123.741 123.741 126.440 -2.699 25804
216 1 2 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.824 -0.200 25804
217 1 2 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.580 -2.666 25804
218 1 2 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.356 14.422 25804
219 1 2 . 1 1 26 26 CYS H H 26 8.668 8.668 8.724 -0.056 25804
220 1 2 . 1 1 27 27 GLY N N 27 118.253 118.253 116.078 2.175 25804
221 1 2 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.928 -2.916 25804
222 1 2 . 1 1 27 27 GLY H H 27 8.330 8.330 8.592 -0.262 25804
223 1 2 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.342 0.148 25804
224 1 2 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.720 -1.133 25804
225 1 2 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.947 -4.079 25804
226 1 2 . 1 1 29 29 PHE N N 29 110.773 110.773 115.387 -4.614 25804
227 1 2 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.628 -0.985 25804
228 1 2 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.235 -7.874 25804
229 1 2 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.294 -2.745 25804
230 1 2 . 1 1 29 29 PHE H H 29 8.257 8.257 7.984 0.273 25804
231 1 2 . 1 1 30 30 VAL N N 30 108.125 108.125 115.571 -7.446 25804
232 1 2 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.689 0.309 25804
233 1 2 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.767 -1.548 25804
234 1 2 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.360 1.286 25804
235 1 2 . 1 1 30 30 VAL H H 30 6.842 6.842 7.666 -0.824 25804
236 1 2 . 1 1 31 31 CYS N N 31 121.703 121.703 118.295 3.408 25804
237 1 2 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.277 -0.346 25804
238 1 2 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.680 -3.388 25804
239 1 2 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.317 13.416 25804
240 1 2 . 1 1 31 31 CYS H H 31 8.515 8.515 8.156 0.359 25804
241 1 3 . 1 1 2 2 ASP N N 2 121.625 121.625 123.571 -1.946 25804
242 1 3 . 1 1 2 2 ASP HA H 2 4.778 4.778 5.048 -0.270 25804
243 1 3 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.497 -0.722 25804
244 1 3 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.302 -2.335 25804
245 1 3 . 1 1 2 2 ASP H H 2 8.669 8.669 8.579 0.090 25804
246 1 3 . 1 1 3 3 CYS N N 3 113.713 113.713 117.109 -3.396 25804
247 1 3 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.681 0.109 25804
248 1 3 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.524 -3.612 25804
249 1 3 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.231 13.114 25804
250 1 3 . 1 1 3 3 CYS H H 3 7.661 7.661 7.807 -0.146 25804
251 1 3 . 1 1 4 4 GLN N N 4 118.330 118.330 119.927 -1.597 25804
252 1 3 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.617 -0.177 25804
253 1 3 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.859 1.235 25804
254 1 3 . 1 1 4 4 GLN H H 4 8.770 8.770 7.983 0.787 25804
255 1 3 . 1 1 5 5 GLU N N 5 120.832 120.832 121.789 -0.957 25804
256 1 3 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.028 0.015 25804
257 1 3 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.073 -3.151 25804
258 1 3 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.398 -1.071 25804
259 1 3 . 1 1 5 5 GLU H H 5 7.629 7.629 8.824 -1.195 25804
260 1 3 . 1 1 6 6 LYS N N 6 119.543 119.543 119.149 0.394 25804
261 1 3 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.916 -0.765 25804
262 1 3 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.735 0.280 25804
263 1 3 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.176 0.212 25804
264 1 3 . 1 1 6 6 LYS H H 6 7.670 7.670 8.519 -0.849 25804
265 1 3 . 1 1 7 7 TRP N N 7 115.545 115.545 118.532 -2.987 25804
266 1 3 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.685 -0.637 25804
267 1 3 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.141 2.576 25804
268 1 3 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.558 -1.263 25804
269 1 3 . 1 1 7 7 TRP H H 7 8.913 8.913 7.958 0.955 25804
270 1 3 . 1 1 8 8 GLU N N 8 115.184 115.184 119.241 -4.057 25804
271 1 3 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.002 0.411 25804
272 1 3 . 1 1 8 8 GLU CB C 8 29.536 29.536 29.942 -0.406 25804
273 1 3 . 1 1 8 8 GLU H H 8 7.779 7.779 7.664 0.115 25804
274 1 3 . 1 1 9 9 TYR N N 9 118.021 118.021 117.667 0.354 25804
275 1 3 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.558 0.366 25804
276 1 3 . 1 1 9 9 TYR CA C 9 59.058 59.058 59.199 -0.141 25804
277 1 3 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.918 0.301 25804
278 1 3 . 1 1 9 9 TYR H H 9 7.863 7.863 7.921 -0.058 25804
279 1 3 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.082 0.851 25804
280 1 3 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.540 -3.719 25804
281 1 3 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.362 14.207 25804
282 1 3 . 1 1 10 10 CYS H H 10 8.273 8.273 7.877 0.396 25804
283 1 3 . 1 1 11 11 ILE N N 11 115.502 115.502 127.876 -12.374 25804
284 1 3 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.314 0.096 25804
285 1 3 . 1 1 11 11 ILE CB C 11 42.112 42.112 40.422 1.690 25804
286 1 3 . 1 1 11 11 ILE H H 11 8.313 8.313 7.900 0.413 25804
287 1 3 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.775 -0.254 25804
288 1 3 . 1 1 12 12 VAL CA C 12 57.736 57.736 60.061 -2.325 25804
289 1 3 . 1 1 12 12 VAL CB C 12 34.704 34.704 31.858 2.846 25804
290 1 3 . 1 1 12 12 VAL H H 12 8.218 8.218 8.757 -0.539 25804
291 1 3 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.502 -0.383 25804
292 1 3 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.048 0.354 25804
293 1 3 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.377 -0.635 25804
294 1 3 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.413 -0.296 25804
295 1 3 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.715 -3.844 25804
296 1 3 . 1 1 14 14 ILE CB C 14 42.329 42.329 42.545 -0.216 25804
297 1 3 . 1 1 14 14 ILE H H 14 7.703 7.703 7.569 0.134 25804
298 1 3 . 1 1 16 16 GLY N N 16 106.027 106.027 111.329 -5.302 25804
299 1 3 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.840 0.566 25804
300 1 3 . 1 1 16 16 GLY H H 16 7.983 7.983 8.861 -0.878 25804
301 1 3 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.939 -0.430 25804
302 1 3 . 1 1 17 17 PHE CB C 17 39.503 39.503 42.014 -2.511 25804
303 1 3 . 1 1 17 17 PHE H H 17 7.690 7.690 7.964 -0.274 25804
304 1 3 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.600 0.293 25804
305 1 3 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.120 -0.391 25804
306 1 3 . 1 1 18 18 VAL CB C 18 35.994 35.994 34.341 1.653 25804
307 1 3 . 1 1 18 18 VAL H H 18 7.549 7.549 7.512 0.037 25804
308 1 3 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.551 -0.132 25804
309 1 3 . 1 1 19 19 TYR CB C 19 39.210 39.210 38.691 0.519 25804
310 1 3 . 1 1 19 19 TYR H H 19 7.528 7.528 8.847 -1.319 25804
311 1 3 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.524 0.388 25804
312 1 3 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.763 -2.717 25804
313 1 3 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.532 8.996 25804
314 1 3 . 1 1 20 20 CYS H H 20 8.399 8.399 7.779 0.620 25804
315 1 3 . 1 1 21 21 CYS N N 21 121.142 121.142 121.718 -0.576 25804
316 1 3 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.400 0.228 25804
317 1 3 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.804 -5.498 25804
318 1 3 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.861 10.865 25804
319 1 3 . 1 1 21 21 CYS H H 21 9.291 9.291 8.552 0.739 25804
320 1 3 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.180 0.036 25804
321 1 3 . 1 1 22 22 PRO CA C 22 64.242 64.242 63.894 0.348 25804
322 1 3 . 1 1 22 22 PRO CB C 22 31.749 31.749 32.319 -0.570 25804
323 1 3 . 1 1 23 23 GLY N N 23 111.521 111.521 110.514 1.007 25804
324 1 3 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.924 -0.306 25804
325 1 3 . 1 1 23 23 GLY H H 23 8.603 8.603 8.397 0.206 25804
326 1 3 . 1 1 24 24 LEU N N 24 119.440 119.440 120.361 -0.921 25804
327 1 3 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.766 -0.060 25804
328 1 3 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.532 -0.840 25804
329 1 3 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.810 -0.425 25804
330 1 3 . 1 1 24 24 LEU H H 24 7.774 7.774 7.266 0.508 25804
331 1 3 . 1 1 25 25 ILE N N 25 114.487 114.487 114.723 -0.236 25804
332 1 3 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.529 -0.091 25804
333 1 3 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.926 1.410 25804
334 1 3 . 1 1 25 25 ILE H H 25 8.265 8.265 8.553 -0.288 25804
335 1 3 . 1 1 26 26 CYS N N 26 123.741 123.741 125.470 -1.729 25804
336 1 3 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.820 -0.196 25804
337 1 3 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.434 -2.520 25804
338 1 3 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.591 14.187 25804
339 1 3 . 1 1 26 26 CYS H H 26 8.668 8.668 8.664 0.004 25804
340 1 3 . 1 1 27 27 GLY N N 27 118.253 118.253 117.598 0.655 25804
341 1 3 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.303 -3.291 25804
342 1 3 . 1 1 27 27 GLY H H 27 8.330 8.330 8.335 -0.005 25804
343 1 3 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.471 0.019 25804
344 1 3 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.925 -1.338 25804
345 1 3 . 1 1 28 28 PRO CB C 28 27.868 27.868 32.121 -4.253 25804
346 1 3 . 1 1 29 29 PHE N N 29 110.773 110.773 116.233 -5.460 25804
347 1 3 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.714 -1.071 25804
348 1 3 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.904 -7.543 25804
349 1 3 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.837 -3.288 25804
350 1 3 . 1 1 29 29 PHE H H 29 8.257 8.257 7.974 0.283 25804
351 1 3 . 1 1 30 30 VAL N N 30 108.125 108.125 113.043 -4.918 25804
352 1 3 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.481 0.517 25804
353 1 3 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.964 -1.745 25804
354 1 3 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.223 1.423 25804
355 1 3 . 1 1 30 30 VAL H H 30 6.842 6.842 7.570 -0.728 25804
356 1 3 . 1 1 31 31 CYS N N 31 121.703 121.703 118.690 3.013 25804
357 1 3 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.154 -0.223 25804
358 1 3 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.242 -3.950 25804
359 1 3 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.413 13.320 25804
360 1 3 . 1 1 31 31 CYS H H 31 8.515 8.515 8.165 0.350 25804
361 1 4 . 1 1 2 2 ASP N N 2 121.625 121.625 122.604 -0.979 25804
362 1 4 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.737 0.041 25804
363 1 4 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.425 -1.650 25804
364 1 4 . 1 1 2 2 ASP CB C 2 37.967 37.967 39.772 -1.805 25804
365 1 4 . 1 1 2 2 ASP H H 2 8.669 8.669 8.473 0.196 25804
366 1 4 . 1 1 3 3 CYS N N 3 113.713 113.713 120.650 -6.937 25804
367 1 4 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.777 0.013 25804
368 1 4 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.381 -2.469 25804
369 1 4 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.823 12.522 25804
370 1 4 . 1 1 3 3 CYS H H 3 7.661 7.661 7.846 -0.185 25804
371 1 4 . 1 1 4 4 GLN N N 4 118.330 118.330 119.878 -1.548 25804
372 1 4 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.684 -0.244 25804
373 1 4 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.363 0.731 25804
374 1 4 . 1 1 4 4 GLN H H 4 8.770 8.770 8.308 0.462 25804
375 1 4 . 1 1 5 5 GLU N N 5 120.832 120.832 122.045 -1.213 25804
376 1 4 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.201 -0.158 25804
377 1 4 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.540 -2.618 25804
378 1 4 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.640 -1.313 25804
379 1 4 . 1 1 5 5 GLU H H 5 7.629 7.629 8.779 -1.150 25804
380 1 4 . 1 1 6 6 LYS N N 6 119.543 119.543 119.507 0.036 25804
381 1 4 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.960 -0.809 25804
382 1 4 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.040 -0.025 25804
383 1 4 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.062 0.326 25804
384 1 4 . 1 1 6 6 LYS H H 6 7.670 7.670 8.551 -0.881 25804
385 1 4 . 1 1 7 7 TRP N N 7 115.545 115.545 118.340 -2.795 25804
386 1 4 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.693 -0.645 25804
387 1 4 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.279 2.438 25804
388 1 4 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.982 -1.687 25804
389 1 4 . 1 1 7 7 TRP H H 7 8.913 8.913 7.857 1.056 25804
390 1 4 . 1 1 8 8 GLU N N 8 115.184 115.184 117.815 -2.631 25804
391 1 4 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.381 0.032 25804
392 1 4 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.471 -0.936 25804
393 1 4 . 1 1 8 8 GLU H H 8 7.779 7.779 7.234 0.545 25804
394 1 4 . 1 1 9 9 TYR N N 9 118.021 118.021 118.443 -0.422 25804
395 1 4 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.341 0.583 25804
396 1 4 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.577 -2.518 25804
397 1 4 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.749 0.470 25804
398 1 4 . 1 1 9 9 TYR H H 9 7.863 7.863 8.752 -0.889 25804
399 1 4 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.973 0.960 25804
400 1 4 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.923 -6.102 25804
401 1 4 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.508 14.061 25804
402 1 4 . 1 1 10 10 CYS H H 10 8.273 8.273 7.876 0.397 25804
403 1 4 . 1 1 11 11 ILE N N 11 115.502 115.502 121.708 -6.206 25804
404 1 4 . 1 1 11 11 ILE HA H 11 4.410 4.410 3.368 1.042 25804
405 1 4 . 1 1 11 11 ILE CB C 11 42.112 42.112 38.325 3.787 25804
406 1 4 . 1 1 11 11 ILE H H 11 8.313 8.313 7.290 1.023 25804
407 1 4 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.689 -0.168 25804
408 1 4 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.058 -0.322 25804
409 1 4 . 1 1 12 12 VAL CB C 12 34.704 34.704 33.434 1.270 25804
410 1 4 . 1 1 12 12 VAL H H 12 8.218 8.218 7.723 0.495 25804
411 1 4 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.504 -0.385 25804
412 1 4 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.876 0.526 25804
413 1 4 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.753 -0.011 25804
414 1 4 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.283 -0.166 25804
415 1 4 . 1 1 14 14 ILE CA C 14 55.871 55.871 58.936 -3.065 25804
416 1 4 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.481 2.848 25804
417 1 4 . 1 1 14 14 ILE H H 14 7.703 7.703 7.427 0.276 25804
418 1 4 . 1 1 16 16 GLY N N 16 106.027 106.027 110.218 -4.191 25804
419 1 4 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.502 0.904 25804
420 1 4 . 1 1 16 16 GLY H H 16 7.983 7.983 8.531 -0.548 25804
421 1 4 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.971 -0.462 25804
422 1 4 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.855 -0.352 25804
423 1 4 . 1 1 17 17 PHE H H 17 7.690 7.690 7.432 0.258 25804
424 1 4 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.106 0.787 25804
425 1 4 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.011 -2.283 25804
426 1 4 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.663 2.331 25804
427 1 4 . 1 1 18 18 VAL H H 18 7.549 7.549 8.362 -0.813 25804
428 1 4 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.716 -0.297 25804
429 1 4 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.198 0.012 25804
430 1 4 . 1 1 19 19 TYR H H 19 7.528 7.528 8.157 -0.629 25804
431 1 4 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.819 0.093 25804
432 1 4 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.037 -1.992 25804
433 1 4 . 1 1 20 20 CYS CB C 20 40.529 40.529 27.779 12.750 25804
434 1 4 . 1 1 20 20 CYS H H 20 8.399 8.399 8.766 -0.367 25804
435 1 4 . 1 1 21 21 CYS N N 21 121.142 121.142 122.627 -1.485 25804
436 1 4 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.430 0.198 25804
437 1 4 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.417 -6.111 25804
438 1 4 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.268 11.458 25804
439 1 4 . 1 1 21 21 CYS H H 21 9.291 9.291 8.711 0.580 25804
440 1 4 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.301 -0.085 25804
441 1 4 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.395 -0.153 25804
442 1 4 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.635 0.114 25804
443 1 4 . 1 1 23 23 GLY N N 23 111.521 111.521 110.642 0.879 25804
444 1 4 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.706 -0.088 25804
445 1 4 . 1 1 23 23 GLY H H 23 8.603 8.603 8.541 0.062 25804
446 1 4 . 1 1 24 24 LEU N N 24 119.440 119.440 120.810 -1.370 25804
447 1 4 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.766 -0.060 25804
448 1 4 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.484 -0.792 25804
449 1 4 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.269 0.116 25804
450 1 4 . 1 1 24 24 LEU H H 24 7.774 7.774 7.364 0.410 25804
451 1 4 . 1 1 25 25 ILE N N 25 114.487 114.487 117.990 -3.503 25804
452 1 4 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.597 -0.159 25804
453 1 4 . 1 1 25 25 ILE CB C 25 42.336 42.336 39.849 2.487 25804
454 1 4 . 1 1 25 25 ILE H H 25 8.265 8.265 8.873 -0.608 25804
455 1 4 . 1 1 26 26 CYS N N 26 123.741 123.741 127.630 -3.889 25804
456 1 4 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.944 -0.320 25804
457 1 4 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.505 -2.591 25804
458 1 4 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.346 14.432 25804
459 1 4 . 1 1 26 26 CYS H H 26 8.668 8.668 9.070 -0.402 25804
460 1 4 . 1 1 27 27 GLY N N 27 118.253 118.253 116.666 1.587 25804
461 1 4 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.027 -3.015 25804
462 1 4 . 1 1 27 27 GLY H H 27 8.330 8.330 8.288 0.042 25804
463 1 4 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.343 0.147 25804
464 1 4 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.255 -2.668 25804
465 1 4 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.834 -3.966 25804
466 1 4 . 1 1 29 29 PHE N N 29 110.773 110.773 111.952 -1.179 25804
467 1 4 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.518 -0.875 25804
468 1 4 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.185 -7.824 25804
469 1 4 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.130 -2.581 25804
470 1 4 . 1 1 29 29 PHE H H 29 8.257 8.257 7.870 0.387 25804
471 1 4 . 1 1 30 30 VAL N N 30 108.125 108.125 114.118 -5.993 25804
472 1 4 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.860 0.138 25804
473 1 4 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.505 -1.286 25804
474 1 4 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.588 2.058 25804
475 1 4 . 1 1 30 30 VAL H H 30 6.842 6.842 7.644 -0.802 25804
476 1 4 . 1 1 31 31 CYS N N 31 121.703 121.703 117.696 4.007 25804
477 1 4 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.405 -0.474 25804
478 1 4 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.940 -3.648 25804
479 1 4 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.426 12.307 25804
480 1 4 . 1 1 31 31 CYS H H 31 8.515 8.515 8.020 0.495 25804
481 1 5 . 1 1 2 2 ASP N N 2 121.625 121.625 122.606 -0.981 25804
482 1 5 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.987 -0.209 25804
483 1 5 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.502 -0.727 25804
484 1 5 . 1 1 2 2 ASP CB C 2 37.967 37.967 42.229 -4.262 25804
485 1 5 . 1 1 2 2 ASP H H 2 8.669 8.669 8.545 0.124 25804
486 1 5 . 1 1 3 3 CYS N N 3 113.713 113.713 119.265 -5.552 25804
487 1 5 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.373 -0.584 25804
488 1 5 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.542 -2.630 25804
489 1 5 . 1 1 3 3 CYS CB C 3 43.345 43.345 31.287 12.058 25804
490 1 5 . 1 1 3 3 CYS H H 3 7.661 7.661 8.633 -0.972 25804
491 1 5 . 1 1 4 4 GLN N N 4 118.330 118.330 119.069 -0.739 25804
492 1 5 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.703 -0.263 25804
493 1 5 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.575 0.520 25804
494 1 5 . 1 1 4 4 GLN H H 4 8.770 8.770 8.646 0.124 25804
495 1 5 . 1 1 5 5 GLU N N 5 120.832 120.832 121.143 -0.311 25804
496 1 5 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.155 -0.113 25804
497 1 5 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.303 -3.381 25804
498 1 5 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.844 -1.517 25804
499 1 5 . 1 1 5 5 GLU H H 5 7.629 7.629 8.824 -1.195 25804
500 1 5 . 1 1 6 6 LYS N N 6 119.543 119.543 118.963 0.580 25804
501 1 5 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.005 -0.854 25804
502 1 5 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.056 -0.041 25804
503 1 5 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.087 0.301 25804
504 1 5 . 1 1 6 6 LYS H H 6 7.670 7.670 8.584 -0.914 25804
505 1 5 . 1 1 7 7 TRP N N 7 115.545 115.545 118.268 -2.723 25804
506 1 5 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.760 -0.712 25804
507 1 5 . 1 1 7 7 TRP CA C 7 58.717 58.717 55.827 2.890 25804
508 1 5 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.470 -1.175 25804
509 1 5 . 1 1 7 7 TRP H H 7 8.913 8.913 7.987 0.926 25804
510 1 5 . 1 1 8 8 GLU N N 8 115.184 115.184 118.550 -3.366 25804
511 1 5 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.308 0.105 25804
512 1 5 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.384 -0.849 25804
513 1 5 . 1 1 8 8 GLU H H 8 7.779 7.779 7.452 0.327 25804
514 1 5 . 1 1 9 9 TYR N N 9 118.021 118.021 117.630 0.391 25804
515 1 5 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.479 0.445 25804
516 1 5 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.602 -1.544 25804
517 1 5 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.762 0.457 25804
518 1 5 . 1 1 9 9 TYR H H 9 7.863 7.863 8.702 -0.839 25804
519 1 5 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.080 0.853 25804
520 1 5 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.661 -5.840 25804
521 1 5 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.864 13.704 25804
522 1 5 . 1 1 10 10 CYS H H 10 8.273 8.273 8.096 0.177 25804
523 1 5 . 1 1 11 11 ILE N N 11 115.502 115.502 120.430 -4.928 25804
524 1 5 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.716 -0.306 25804
525 1 5 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.803 2.309 25804
526 1 5 . 1 1 11 11 ILE H H 11 8.313 8.313 8.043 0.270 25804
527 1 5 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.528 -0.007 25804
528 1 5 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.094 -0.358 25804
529 1 5 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.025 2.679 25804
530 1 5 . 1 1 12 12 VAL H H 12 8.218 8.218 8.112 0.106 25804
531 1 5 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.577 -0.458 25804
532 1 5 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.035 0.367 25804
533 1 5 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.646 0.096 25804
534 1 5 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.295 -0.178 25804
535 1 5 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.340 -3.469 25804
536 1 5 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.921 2.408 25804
537 1 5 . 1 1 14 14 ILE H H 14 7.703 7.703 7.109 0.594 25804
538 1 5 . 1 1 16 16 GLY N N 16 106.027 106.027 107.636 -1.609 25804
539 1 5 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.828 0.578 25804
540 1 5 . 1 1 16 16 GLY H H 16 7.983 7.983 8.453 -0.470 25804
541 1 5 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.112 0.397 25804
542 1 5 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.165 0.338 25804
543 1 5 . 1 1 17 17 PHE H H 17 7.690 7.690 7.872 -0.182 25804
544 1 5 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.187 0.706 25804
545 1 5 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.449 -1.721 25804
546 1 5 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.083 2.911 25804
547 1 5 . 1 1 18 18 VAL H H 18 7.549 7.549 7.925 -0.376 25804
548 1 5 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.866 -0.447 25804
549 1 5 . 1 1 19 19 TYR CB C 19 39.210 39.210 41.092 -1.882 25804
550 1 5 . 1 1 19 19 TYR H H 19 7.528 7.528 8.341 -0.813 25804
551 1 5 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.761 0.151 25804
552 1 5 . 1 1 20 20 CYS CA C 20 55.045 55.045 59.524 -4.479 25804
553 1 5 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.922 13.607 25804
554 1 5 . 1 1 20 20 CYS H H 20 8.399 8.399 8.845 -0.446 25804
555 1 5 . 1 1 21 21 CYS N N 21 121.142 121.142 124.492 -3.350 25804
556 1 5 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.455 0.173 25804
557 1 5 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.929 -5.623 25804
558 1 5 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.504 11.222 25804
559 1 5 . 1 1 21 21 CYS H H 21 9.291 9.291 8.788 0.503 25804
560 1 5 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.313 -0.097 25804
561 1 5 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.374 -0.132 25804
562 1 5 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.857 -0.108 25804
563 1 5 . 1 1 23 23 GLY N N 23 111.521 111.521 109.586 1.935 25804
564 1 5 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.757 -0.139 25804
565 1 5 . 1 1 23 23 GLY H H 23 8.603 8.603 8.544 0.058 25804
566 1 5 . 1 1 24 24 LEU N N 24 119.440 119.440 120.460 -1.020 25804
567 1 5 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.830 -0.124 25804
568 1 5 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.581 -0.889 25804
569 1 5 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.833 -0.448 25804
570 1 5 . 1 1 24 24 LEU H H 24 7.774 7.774 7.347 0.427 25804
571 1 5 . 1 1 25 25 ILE N N 25 114.487 114.487 115.651 -1.164 25804
572 1 5 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.560 -0.122 25804
573 1 5 . 1 1 25 25 ILE CB C 25 42.336 42.336 41.154 1.182 25804
574 1 5 . 1 1 25 25 ILE H H 25 8.265 8.265 8.666 -0.401 25804
575 1 5 . 1 1 26 26 CYS N N 26 123.741 123.741 125.231 -1.490 25804
576 1 5 . 1 1 26 26 CYS HA H 26 4.624 4.624 5.024 -0.400 25804
577 1 5 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.039 -2.125 25804
578 1 5 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.580 14.198 25804
579 1 5 . 1 1 26 26 CYS H H 26 8.668 8.668 8.606 0.062 25804
580 1 5 . 1 1 27 27 GLY N N 27 118.253 118.253 116.809 1.444 25804
581 1 5 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.255 -3.243 25804
582 1 5 . 1 1 27 27 GLY H H 27 8.330 8.330 8.258 0.072 25804
583 1 5 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.294 0.196 25804
584 1 5 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.471 -0.884 25804
585 1 5 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.717 -3.849 25804
586 1 5 . 1 1 29 29 PHE N N 29 110.773 110.773 112.463 -1.690 25804
587 1 5 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.701 -1.058 25804
588 1 5 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.011 -7.650 25804
589 1 5 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.285 -2.736 25804
590 1 5 . 1 1 29 29 PHE H H 29 8.257 8.257 7.820 0.437 25804
591 1 5 . 1 1 30 30 VAL N N 30 108.125 108.125 113.532 -5.407 25804
592 1 5 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.531 0.467 25804
593 1 5 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.261 -1.042 25804
594 1 5 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.023 2.623 25804
595 1 5 . 1 1 30 30 VAL H H 30 6.842 6.842 7.574 -0.732 25804
596 1 5 . 1 1 31 31 CYS N N 31 121.703 121.703 118.536 3.167 25804
597 1 5 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.404 -0.473 25804
598 1 5 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.442 -3.150 25804
599 1 5 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.052 12.681 25804
600 1 5 . 1 1 31 31 CYS H H 31 8.515 8.515 8.218 0.297 25804
601 1 6 . 1 1 2 2 ASP N N 2 121.625 121.625 124.898 -3.273 25804
602 1 6 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.789 -0.011 25804
603 1 6 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.978 -1.203 25804
604 1 6 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.101 -3.134 25804
605 1 6 . 1 1 2 2 ASP H H 2 8.669 8.669 8.515 0.154 25804
606 1 6 . 1 1 3 3 CYS N N 3 113.713 113.713 119.865 -6.152 25804
607 1 6 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.123 -0.333 25804
608 1 6 . 1 1 3 3 CYS CA C 3 53.912 53.912 55.931 -2.019 25804
609 1 6 . 1 1 3 3 CYS CB C 3 43.345 43.345 31.119 12.226 25804
610 1 6 . 1 1 3 3 CYS H H 3 7.661 7.661 7.998 -0.337 25804
611 1 6 . 1 1 4 4 GLN N N 4 118.330 118.330 117.733 0.597 25804
612 1 6 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.747 -0.307 25804
613 1 6 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.919 1.175 25804
614 1 6 . 1 1 4 4 GLN H H 4 8.770 8.770 8.826 -0.056 25804
615 1 6 . 1 1 5 5 GLU N N 5 120.832 120.832 120.916 -0.084 25804
616 1 6 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.185 -0.142 25804
617 1 6 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.117 -3.195 25804
618 1 6 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.587 -1.260 25804
619 1 6 . 1 1 5 5 GLU H H 5 7.629 7.629 8.811 -1.182 25804
620 1 6 . 1 1 6 6 LYS N N 6 119.543 119.543 119.844 -0.301 25804
621 1 6 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.078 -0.927 25804
622 1 6 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.012 0.003 25804
623 1 6 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.267 0.121 25804
624 1 6 . 1 1 6 6 LYS H H 6 7.670 7.670 8.601 -0.931 25804
625 1 6 . 1 1 7 7 TRP N N 7 115.545 115.545 118.305 -2.760 25804
626 1 6 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.754 -0.706 25804
627 1 6 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.147 2.570 25804
628 1 6 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.457 -1.162 25804
629 1 6 . 1 1 7 7 TRP H H 7 8.913 8.913 8.133 0.780 25804
630 1 6 . 1 1 8 8 GLU N N 8 115.184 115.184 117.650 -2.466 25804
631 1 6 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.445 -0.032 25804
632 1 6 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.749 -1.213 25804
633 1 6 . 1 1 8 8 GLU H H 8 7.779 7.779 7.629 0.150 25804
634 1 6 . 1 1 9 9 TYR N N 9 118.021 118.021 118.236 -0.215 25804
635 1 6 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.636 0.288 25804
636 1 6 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.341 -1.283 25804
637 1 6 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.802 0.417 25804
638 1 6 . 1 1 9 9 TYR H H 9 7.863 7.863 8.775 -0.912 25804
639 1 6 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.252 0.681 25804
640 1 6 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.784 -3.963 25804
641 1 6 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.153 15.416 25804
642 1 6 . 1 1 10 10 CYS H H 10 8.273 8.273 8.219 0.054 25804
643 1 6 . 1 1 11 11 ILE N N 11 115.502 115.502 116.280 -0.778 25804
644 1 6 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.441 -0.031 25804
645 1 6 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.804 2.308 25804
646 1 6 . 1 1 11 11 ILE H H 11 8.313 8.313 7.429 0.884 25804
647 1 6 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.429 0.092 25804
648 1 6 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.973 -1.237 25804
649 1 6 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.821 1.883 25804
650 1 6 . 1 1 12 12 VAL H H 12 8.218 8.218 8.217 0.001 25804
651 1 6 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.263 -0.144 25804
652 1 6 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.174 0.228 25804
653 1 6 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.534 0.208 25804
654 1 6 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.400 -0.283 25804
655 1 6 . 1 1 14 14 ILE CA C 14 55.871 55.871 58.336 -2.465 25804
656 1 6 . 1 1 14 14 ILE CB C 14 42.329 42.329 41.189 1.140 25804
657 1 6 . 1 1 14 14 ILE H H 14 7.703 7.703 7.071 0.632 25804
658 1 6 . 1 1 16 16 GLY N N 16 106.027 106.027 110.363 -4.336 25804
659 1 6 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.989 0.417 25804
660 1 6 . 1 1 16 16 GLY H H 16 7.983 7.983 8.739 -0.756 25804
661 1 6 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.632 -0.123 25804
662 1 6 . 1 1 17 17 PHE CB C 17 39.503 39.503 40.330 -0.827 25804
663 1 6 . 1 1 17 17 PHE H H 17 7.690 7.690 7.596 0.094 25804
664 1 6 . 1 1 18 18 VAL HA H 18 4.893 4.893 3.957 0.936 25804
665 1 6 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.466 -1.738 25804
666 1 6 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.466 2.528 25804
667 1 6 . 1 1 18 18 VAL H H 18 7.549 7.549 6.704 0.845 25804
668 1 6 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.811 -0.392 25804
669 1 6 . 1 1 19 19 TYR CB C 19 39.210 39.210 41.003 -1.793 25804
670 1 6 . 1 1 19 19 TYR H H 19 7.528 7.528 7.858 -0.330 25804
671 1 6 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.668 0.244 25804
672 1 6 . 1 1 20 20 CYS CA C 20 55.045 55.045 60.032 -4.987 25804
673 1 6 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.361 14.168 25804
674 1 6 . 1 1 20 20 CYS H H 20 8.399 8.399 8.942 -0.543 25804
675 1 6 . 1 1 21 21 CYS N N 21 121.142 121.142 124.250 -3.108 25804
676 1 6 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.419 0.209 25804
677 1 6 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.470 -6.164 25804
678 1 6 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.579 11.147 25804
679 1 6 . 1 1 21 21 CYS H H 21 9.291 9.291 8.818 0.473 25804
680 1 6 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.311 -0.095 25804
681 1 6 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.382 -0.140 25804
682 1 6 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.836 -0.087 25804
683 1 6 . 1 1 23 23 GLY N N 23 111.521 111.521 109.487 2.034 25804
684 1 6 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.784 -0.166 25804
685 1 6 . 1 1 23 23 GLY H H 23 8.603 8.603 8.533 0.070 25804
686 1 6 . 1 1 24 24 LEU N N 24 119.440 119.440 120.607 -1.167 25804
687 1 6 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.816 -0.110 25804
688 1 6 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.641 -0.949 25804
689 1 6 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.188 0.197 25804
690 1 6 . 1 1 24 24 LEU H H 24 7.774 7.774 7.322 0.452 25804
691 1 6 . 1 1 25 25 ILE N N 25 114.487 114.487 116.486 -1.999 25804
692 1 6 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.564 -0.126 25804
693 1 6 . 1 1 25 25 ILE CB C 25 42.336 42.336 41.119 1.217 25804
694 1 6 . 1 1 25 25 ILE H H 25 8.265 8.265 8.738 -0.473 25804
695 1 6 . 1 1 26 26 CYS N N 26 123.741 123.741 125.421 -1.680 25804
696 1 6 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.974 -0.350 25804
697 1 6 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.443 -2.529 25804
698 1 6 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.484 14.294 25804
699 1 6 . 1 1 26 26 CYS H H 26 8.668 8.668 8.815 -0.147 25804
700 1 6 . 1 1 27 27 GLY N N 27 118.253 118.253 115.450 2.803 25804
701 1 6 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.362 -2.350 25804
702 1 6 . 1 1 27 27 GLY H H 27 8.330 8.330 8.581 -0.251 25804
703 1 6 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.285 0.205 25804
704 1 6 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.552 -2.965 25804
705 1 6 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.848 -3.980 25804
706 1 6 . 1 1 29 29 PHE N N 29 110.773 110.773 113.769 -2.996 25804
707 1 6 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.579 -0.936 25804
708 1 6 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.037 -7.676 25804
709 1 6 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.407 -2.858 25804
710 1 6 . 1 1 29 29 PHE H H 29 8.257 8.257 7.850 0.407 25804
711 1 6 . 1 1 30 30 VAL N N 30 108.125 108.125 117.468 -9.343 25804
712 1 6 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.604 0.394 25804
713 1 6 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.429 -2.210 25804
714 1 6 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.394 2.252 25804
715 1 6 . 1 1 30 30 VAL H H 30 6.842 6.842 7.749 -0.907 25804
716 1 6 . 1 1 31 31 CYS N N 31 121.703 121.703 118.298 3.405 25804
717 1 6 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.430 -0.499 25804
718 1 6 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.542 -3.250 25804
719 1 6 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.631 13.102 25804
720 1 6 . 1 1 31 31 CYS H H 31 8.515 8.515 8.171 0.344 25804
721 1 7 . 1 1 2 2 ASP N N 2 121.625 121.625 124.131 -2.506 25804
722 1 7 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.840 -0.062 25804
723 1 7 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.607 -0.832 25804
724 1 7 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.653 -2.686 25804
725 1 7 . 1 1 2 2 ASP H H 2 8.669 8.669 8.583 0.086 25804
726 1 7 . 1 1 3 3 CYS N N 3 113.713 113.713 116.893 -3.180 25804
727 1 7 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.746 0.044 25804
728 1 7 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.932 -4.020 25804
729 1 7 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.111 13.234 25804
730 1 7 . 1 1 3 3 CYS H H 3 7.661 7.661 8.152 -0.491 25804
731 1 7 . 1 1 4 4 GLN N N 4 118.330 118.330 120.399 -2.069 25804
732 1 7 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.549 -0.109 25804
733 1 7 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.555 1.539 25804
734 1 7 . 1 1 4 4 GLN H H 4 8.770 8.770 7.867 0.903 25804
735 1 7 . 1 1 5 5 GLU N N 5 120.832 120.832 122.404 -1.572 25804
736 1 7 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.082 -0.039 25804
737 1 7 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.708 -2.786 25804
738 1 7 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.646 -1.319 25804
739 1 7 . 1 1 5 5 GLU H H 5 7.629 7.629 8.848 -1.220 25804
740 1 7 . 1 1 6 6 LYS N N 6 119.543 119.543 120.113 -0.570 25804
741 1 7 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.953 -0.802 25804
742 1 7 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.893 0.122 25804
743 1 7 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.265 0.123 25804
744 1 7 . 1 1 6 6 LYS H H 6 7.670 7.670 8.632 -0.962 25804
745 1 7 . 1 1 7 7 TRP N N 7 115.545 115.545 118.361 -2.816 25804
746 1 7 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.657 -0.609 25804
747 1 7 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.401 2.316 25804
748 1 7 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.835 -1.540 25804
749 1 7 . 1 1 7 7 TRP H H 7 8.913 8.913 7.881 1.032 25804
750 1 7 . 1 1 8 8 GLU N N 8 115.184 115.184 117.785 -2.601 25804
751 1 7 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.213 0.200 25804
752 1 7 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.564 -1.028 25804
753 1 7 . 1 1 8 8 GLU H H 8 7.779 7.779 7.223 0.556 25804
754 1 7 . 1 1 9 9 TYR N N 9 118.021 118.021 118.482 -0.461 25804
755 1 7 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.539 0.385 25804
756 1 7 . 1 1 9 9 TYR CA C 9 59.058 59.058 58.959 0.099 25804
757 1 7 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.501 0.718 25804
758 1 7 . 1 1 9 9 TYR H H 9 7.863 7.863 8.444 -0.581 25804
759 1 7 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.257 0.676 25804
760 1 7 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.282 -4.462 25804
761 1 7 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.226 15.343 25804
762 1 7 . 1 1 10 10 CYS H H 10 8.273 8.273 7.889 0.384 25804
763 1 7 . 1 1 11 11 ILE N N 11 115.502 115.502 122.510 -7.008 25804
764 1 7 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.336 0.074 25804
765 1 7 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.326 2.786 25804
766 1 7 . 1 1 11 11 ILE H H 11 8.313 8.313 7.976 0.337 25804
767 1 7 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.735 -0.214 25804
768 1 7 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.630 -0.894 25804
769 1 7 . 1 1 12 12 VAL CB C 12 34.704 34.704 33.419 1.285 25804
770 1 7 . 1 1 12 12 VAL H H 12 8.218 8.218 8.184 0.034 25804
771 1 7 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.430 -0.311 25804
772 1 7 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.192 0.210 25804
773 1 7 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.081 -0.339 25804
774 1 7 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.327 -0.210 25804
775 1 7 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.299 -4.428 25804
776 1 7 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.461 2.868 25804
777 1 7 . 1 1 14 14 ILE H H 14 7.703 7.703 7.611 0.092 25804
778 1 7 . 1 1 16 16 GLY N N 16 106.027 106.027 112.825 -6.798 25804
779 1 7 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.681 0.725 25804
780 1 7 . 1 1 16 16 GLY H H 16 7.983 7.983 8.568 -0.585 25804
781 1 7 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.857 -0.348 25804
782 1 7 . 1 1 17 17 PHE CB C 17 39.503 39.503 42.555 -3.052 25804
783 1 7 . 1 1 17 17 PHE H H 17 7.690 7.690 7.658 0.032 25804
784 1 7 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.294 0.599 25804
785 1 7 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.841 -3.113 25804
786 1 7 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.206 2.788 25804
787 1 7 . 1 1 18 18 VAL H H 18 7.549 7.549 8.403 -0.854 25804
788 1 7 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.777 -0.358 25804
789 1 7 . 1 1 19 19 TYR CB C 19 39.210 39.210 38.702 0.508 25804
790 1 7 . 1 1 19 19 TYR H H 19 7.528 7.528 8.583 -1.055 25804
791 1 7 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.539 0.373 25804
792 1 7 . 1 1 20 20 CYS CA C 20 55.045 55.045 55.635 -0.590 25804
793 1 7 . 1 1 20 20 CYS CB C 20 40.529 40.529 30.077 10.452 25804
794 1 7 . 1 1 20 20 CYS H H 20 8.399 8.399 7.887 0.512 25804
795 1 7 . 1 1 21 21 CYS N N 21 121.142 121.142 121.719 -0.577 25804
796 1 7 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.411 0.217 25804
797 1 7 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.567 -6.261 25804
798 1 7 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.685 11.041 25804
799 1 7 . 1 1 21 21 CYS H H 21 9.291 9.291 8.479 0.812 25804
800 1 7 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.278 -0.062 25804
801 1 7 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.442 -0.200 25804
802 1 7 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.590 0.159 25804
803 1 7 . 1 1 23 23 GLY N N 23 111.521 111.521 110.630 0.891 25804
804 1 7 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.719 -0.101 25804
805 1 7 . 1 1 23 23 GLY H H 23 8.603 8.603 8.546 0.057 25804
806 1 7 . 1 1 24 24 LEU N N 24 119.440 119.440 120.939 -1.499 25804
807 1 7 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.906 -0.200 25804
808 1 7 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.597 -0.905 25804
809 1 7 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.934 0.451 25804
810 1 7 . 1 1 24 24 LEU H H 24 7.774 7.774 7.343 0.431 25804
811 1 7 . 1 1 25 25 ILE N N 25 114.487 114.487 115.920 -1.433 25804
812 1 7 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.565 -0.127 25804
813 1 7 . 1 1 25 25 ILE CB C 25 42.336 42.336 39.984 2.352 25804
814 1 7 . 1 1 25 25 ILE H H 25 8.265 8.265 8.604 -0.339 25804
815 1 7 . 1 1 26 26 CYS N N 26 123.741 123.741 127.081 -3.340 25804
816 1 7 . 1 1 26 26 CYS HA H 26 4.624 4.624 5.047 -0.423 25804
817 1 7 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.317 -2.403 25804
818 1 7 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.912 13.866 25804
819 1 7 . 1 1 26 26 CYS H H 26 8.668 8.668 8.963 -0.295 25804
820 1 7 . 1 1 27 27 GLY N N 27 118.253 118.253 115.385 2.868 25804
821 1 7 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.480 -2.468 25804
822 1 7 . 1 1 27 27 GLY H H 27 8.330 8.330 8.506 -0.176 25804
823 1 7 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.187 0.303 25804
824 1 7 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.962 -1.375 25804
825 1 7 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.864 -3.996 25804
826 1 7 . 1 1 29 29 PHE N N 29 110.773 110.773 113.139 -2.366 25804
827 1 7 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.724 -1.081 25804
828 1 7 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.841 -7.480 25804
829 1 7 . 1 1 29 29 PHE CB C 29 37.549 37.549 41.404 -3.855 25804
830 1 7 . 1 1 29 29 PHE H H 29 8.257 8.257 7.866 0.391 25804
831 1 7 . 1 1 30 30 VAL N N 30 108.125 108.125 113.421 -5.296 25804
832 1 7 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.605 0.393 25804
833 1 7 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.107 -0.888 25804
834 1 7 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.202 2.445 25804
835 1 7 . 1 1 30 30 VAL H H 30 6.842 6.842 7.467 -0.625 25804
836 1 7 . 1 1 31 31 CYS N N 31 121.703 121.703 118.112 3.591 25804
837 1 7 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.262 -0.331 25804
838 1 7 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.845 -3.553 25804
839 1 7 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.069 12.664 25804
840 1 7 . 1 1 31 31 CYS H H 31 8.515 8.515 8.189 0.326 25804
841 1 8 . 1 1 2 2 ASP N N 2 121.625 121.625 123.452 -1.827 25804
842 1 8 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.959 -0.181 25804
843 1 8 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.032 -1.258 25804
844 1 8 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.131 -3.164 25804
845 1 8 . 1 1 2 2 ASP H H 2 8.669 8.669 8.489 0.180 25804
846 1 8 . 1 1 3 3 CYS N N 3 113.713 113.713 119.371 -5.658 25804
847 1 8 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.300 -0.510 25804
848 1 8 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.370 -2.458 25804
849 1 8 . 1 1 3 3 CYS CB C 3 43.345 43.345 31.376 11.969 25804
850 1 8 . 1 1 3 3 CYS H H 3 7.661 7.661 8.425 -0.764 25804
851 1 8 . 1 1 4 4 GLN N N 4 118.330 118.330 119.026 -0.696 25804
852 1 8 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.719 -0.279 25804
853 1 8 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.082 1.012 25804
854 1 8 . 1 1 4 4 GLN H H 4 8.770 8.770 8.652 0.118 25804
855 1 8 . 1 1 5 5 GLU N N 5 120.832 120.832 120.929 -0.097 25804
856 1 8 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.107 -0.064 25804
857 1 8 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.914 -2.992 25804
858 1 8 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.565 -1.238 25804
859 1 8 . 1 1 5 5 GLU H H 5 7.629 7.629 8.811 -1.182 25804
860 1 8 . 1 1 6 6 LYS N N 6 119.543 119.543 119.965 -0.422 25804
861 1 8 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.959 -0.808 25804
862 1 8 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.989 0.026 25804
863 1 8 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.205 0.183 25804
864 1 8 . 1 1 6 6 LYS H H 6 7.670 7.670 8.649 -0.979 25804
865 1 8 . 1 1 7 7 TRP N N 7 115.545 115.545 118.155 -2.610 25804
866 1 8 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.689 -0.641 25804
867 1 8 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.631 2.086 25804
868 1 8 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.773 -1.478 25804
869 1 8 . 1 1 7 7 TRP H H 7 8.913 8.913 7.973 0.940 25804
870 1 8 . 1 1 8 8 GLU N N 8 115.184 115.184 117.964 -2.780 25804
871 1 8 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.305 0.108 25804
872 1 8 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.392 -0.856 25804
873 1 8 . 1 1 8 8 GLU H H 8 7.779 7.779 7.224 0.555 25804
874 1 8 . 1 1 9 9 TYR N N 9 118.021 118.021 118.741 -0.720 25804
875 1 8 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.281 0.643 25804
876 1 8 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.681 -2.623 25804
877 1 8 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.649 0.570 25804
878 1 8 . 1 1 9 9 TYR H H 9 7.863 7.863 8.547 -0.684 25804
879 1 8 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.962 0.971 25804
880 1 8 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.611 -5.790 25804
881 1 8 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.744 13.825 25804
882 1 8 . 1 1 10 10 CYS H H 10 8.273 8.273 8.586 -0.313 25804
883 1 8 . 1 1 11 11 ILE N N 11 115.502 115.502 115.136 0.366 25804
884 1 8 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.264 0.146 25804
885 1 8 . 1 1 11 11 ILE CB C 11 42.112 42.112 41.398 0.714 25804
886 1 8 . 1 1 11 11 ILE H H 11 8.313 8.313 7.920 0.393 25804
887 1 8 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.445 0.076 25804
888 1 8 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.106 -0.370 25804
889 1 8 . 1 1 12 12 VAL CB C 12 34.704 34.704 35.677 -0.973 25804
890 1 8 . 1 1 12 12 VAL H H 12 8.218 8.218 7.315 0.903 25804
891 1 8 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.487 -0.368 25804
892 1 8 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.799 0.603 25804
893 1 8 . 1 1 13 13 PRO CB C 13 31.742 31.742 29.787 1.955 25804
894 1 8 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.337 -0.220 25804
895 1 8 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.023 -4.152 25804
896 1 8 . 1 1 14 14 ILE CB C 14 42.329 42.329 42.061 0.268 25804
897 1 8 . 1 1 14 14 ILE H H 14 7.703 7.703 7.996 -0.293 25804
898 1 8 . 1 1 16 16 GLY N N 16 106.027 106.027 111.337 -5.310 25804
899 1 8 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.922 0.484 25804
900 1 8 . 1 1 16 16 GLY H H 16 7.983 7.983 8.784 -0.801 25804
901 1 8 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.744 -0.235 25804
902 1 8 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.938 -0.435 25804
903 1 8 . 1 1 17 17 PHE H H 17 7.690 7.690 7.737 -0.047 25804
904 1 8 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.174 0.719 25804
905 1 8 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.551 -2.823 25804
906 1 8 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.204 2.790 25804
907 1 8 . 1 1 18 18 VAL H H 18 7.549 7.549 8.366 -0.817 25804
908 1 8 . 1 1 19 19 TYR HA H 19 4.419 4.419 5.289 -0.870 25804
909 1 8 . 1 1 19 19 TYR CB C 19 39.210 39.210 41.422 -2.212 25804
910 1 8 . 1 1 19 19 TYR H H 19 7.528 7.528 8.152 -0.624 25804
911 1 8 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.539 0.373 25804
912 1 8 . 1 1 20 20 CYS CA C 20 55.045 55.045 59.080 -4.035 25804
913 1 8 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.280 14.249 25804
914 1 8 . 1 1 20 20 CYS H H 20 8.399 8.399 7.743 0.656 25804
915 1 8 . 1 1 21 21 CYS N N 21 121.142 121.142 124.402 -3.260 25804
916 1 8 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.493 0.135 25804
917 1 8 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.771 -5.465 25804
918 1 8 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.432 11.294 25804
919 1 8 . 1 1 21 21 CYS H H 21 9.291 9.291 8.768 0.523 25804
920 1 8 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.255 -0.039 25804
921 1 8 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.064 0.178 25804
922 1 8 . 1 1 22 22 PRO CB C 22 31.749 31.749 32.039 -0.290 25804
923 1 8 . 1 1 23 23 GLY N N 23 111.521 111.521 108.665 2.856 25804
924 1 8 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.880 -0.262 25804
925 1 8 . 1 1 23 23 GLY H H 23 8.603 8.603 8.569 0.034 25804
926 1 8 . 1 1 24 24 LEU N N 24 119.440 119.440 120.698 -1.258 25804
927 1 8 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.841 -0.135 25804
928 1 8 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.544 -0.851 25804
929 1 8 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.098 0.287 25804
930 1 8 . 1 1 24 24 LEU H H 24 7.774 7.774 7.350 0.424 25804
931 1 8 . 1 1 25 25 ILE N N 25 114.487 114.487 116.029 -1.542 25804
932 1 8 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.623 -0.185 25804
933 1 8 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.465 1.871 25804
934 1 8 . 1 1 25 25 ILE H H 25 8.265 8.265 8.562 -0.297 25804
935 1 8 . 1 1 26 26 CYS N N 26 123.741 123.741 125.363 -1.622 25804
936 1 8 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.987 -0.363 25804
937 1 8 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.288 -2.374 25804
938 1 8 . 1 1 26 26 CYS CB C 26 39.778 39.778 26.077 13.701 25804
939 1 8 . 1 1 26 26 CYS H H 26 8.668 8.668 9.012 -0.344 25804
940 1 8 . 1 1 27 27 GLY N N 27 118.253 118.253 117.197 1.056 25804
941 1 8 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.834 -2.822 25804
942 1 8 . 1 1 27 27 GLY H H 27 8.330 8.330 8.315 0.015 25804
943 1 8 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.230 0.260 25804
944 1 8 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.759 -1.172 25804
945 1 8 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.824 -3.956 25804
946 1 8 . 1 1 29 29 PHE N N 29 110.773 110.773 113.426 -2.653 25804
947 1 8 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.730 -1.087 25804
948 1 8 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.892 -7.530 25804
949 1 8 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.432 -2.883 25804
950 1 8 . 1 1 29 29 PHE H H 29 8.257 8.257 7.905 0.352 25804
951 1 8 . 1 1 30 30 VAL N N 30 108.125 108.125 111.807 -3.682 25804
952 1 8 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.486 0.512 25804
953 1 8 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.525 -1.306 25804
954 1 8 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.749 1.897 25804
955 1 8 . 1 1 30 30 VAL H H 30 6.842 6.842 7.561 -0.719 25804
956 1 8 . 1 1 31 31 CYS N N 31 121.703 121.703 117.403 4.300 25804
957 1 8 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.370 -0.439 25804
958 1 8 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.157 -2.865 25804
959 1 8 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.716 13.017 25804
960 1 8 . 1 1 31 31 CYS H H 31 8.515 8.515 8.121 0.394 25804
961 1 9 . 1 1 2 2 ASP N N 2 121.625 121.625 123.431 -1.806 25804
962 1 9 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.728 0.050 25804
963 1 9 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.180 -1.405 25804
964 1 9 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.003 -3.036 25804
965 1 9 . 1 1 2 2 ASP H H 2 8.669 8.669 8.560 0.109 25804
966 1 9 . 1 1 3 3 CYS N N 3 113.713 113.713 121.019 -7.306 25804
967 1 9 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.493 0.297 25804
968 1 9 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.224 -3.312 25804
969 1 9 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.636 12.709 25804
970 1 9 . 1 1 3 3 CYS H H 3 7.661 7.661 8.232 -0.571 25804
971 1 9 . 1 1 4 4 GLN N N 4 118.330 118.330 119.206 -0.876 25804
972 1 9 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.544 -0.104 25804
973 1 9 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.166 0.928 25804
974 1 9 . 1 1 4 4 GLN H H 4 8.770 8.770 7.967 0.803 25804
975 1 9 . 1 1 5 5 GLU N N 5 120.832 120.832 121.673 -0.841 25804
976 1 9 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.139 -0.096 25804
977 1 9 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.546 -2.624 25804
978 1 9 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.928 -1.601 25804
979 1 9 . 1 1 5 5 GLU H H 5 7.629 7.629 8.768 -1.139 25804
980 1 9 . 1 1 6 6 LYS N N 6 119.543 119.543 119.846 -0.303 25804
981 1 9 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.908 -0.757 25804
982 1 9 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.793 0.222 25804
983 1 9 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.100 0.288 25804
984 1 9 . 1 1 6 6 LYS H H 6 7.670 7.670 8.600 -0.930 25804
985 1 9 . 1 1 7 7 TRP N N 7 115.545 115.545 118.321 -2.776 25804
986 1 9 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.672 -0.624 25804
987 1 9 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.336 2.381 25804
988 1 9 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.847 -1.552 25804
989 1 9 . 1 1 7 7 TRP H H 7 8.913 8.913 7.884 1.029 25804
990 1 9 . 1 1 8 8 GLU N N 8 115.184 115.184 117.804 -2.620 25804
991 1 9 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.377 0.036 25804
992 1 9 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.315 -0.779 25804
993 1 9 . 1 1 8 8 GLU H H 8 7.779 7.779 7.299 0.480 25804
994 1 9 . 1 1 9 9 TYR N N 9 118.021 118.021 119.395 -1.374 25804
995 1 9 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.443 0.481 25804
996 1 9 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.187 -1.129 25804
997 1 9 . 1 1 9 9 TYR CB C 9 39.219 39.219 39.007 0.213 25804
998 1 9 . 1 1 9 9 TYR H H 9 7.863 7.863 8.727 -0.864 25804
999 1 9 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.248 0.685 25804
1000 1 9 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.742 -3.921 25804
1001 1 9 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.061 14.508 25804
1002 1 9 . 1 1 10 10 CYS H H 10 8.273 8.273 7.946 0.327 25804
1003 1 9 . 1 1 11 11 ILE N N 11 115.502 115.502 123.062 -7.560 25804
1004 1 9 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.778 -0.368 25804
1005 1 9 . 1 1 11 11 ILE CB C 11 42.112 42.112 41.550 0.562 25804
1006 1 9 . 1 1 11 11 ILE H H 11 8.313 8.313 7.921 0.392 25804
1007 1 9 . 1 1 12 12 VAL HA H 12 4.521 4.521 5.176 -0.655 25804
1008 1 9 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.985 -1.249 25804
1009 1 9 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.140 2.564 25804
1010 1 9 . 1 1 12 12 VAL H H 12 8.218 8.218 8.443 -0.225 25804
1011 1 9 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.428 -0.309 25804
1012 1 9 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.814 -0.412 25804
1013 1 9 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.140 -0.398 25804
1014 1 9 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.383 -0.266 25804
1015 1 9 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.089 -3.218 25804
1016 1 9 . 1 1 14 14 ILE CB C 14 42.329 42.329 41.801 0.528 25804
1017 1 9 . 1 1 14 14 ILE H H 14 7.703 7.703 7.756 -0.053 25804
1018 1 9 . 1 1 16 16 GLY N N 16 106.027 106.027 112.547 -6.520 25804
1019 1 9 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.850 0.556 25804
1020 1 9 . 1 1 16 16 GLY H H 16 7.983 7.983 8.909 -0.926 25804
1021 1 9 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.889 -0.380 25804
1022 1 9 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.321 -1.818 25804
1023 1 9 . 1 1 17 17 PHE H H 17 7.690 7.690 7.989 -0.299 25804
1024 1 9 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.511 0.382 25804
1025 1 9 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.701 -0.973 25804
1026 1 9 . 1 1 18 18 VAL CB C 18 35.994 35.994 32.659 3.335 25804
1027 1 9 . 1 1 18 18 VAL H H 18 7.549 7.549 7.986 -0.437 25804
1028 1 9 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.418 0.001 25804
1029 1 9 . 1 1 19 19 TYR CB C 19 39.210 39.210 38.625 0.585 25804
1030 1 9 . 1 1 19 19 TYR H H 19 7.528 7.528 8.838 -1.310 25804
1031 1 9 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.472 0.440 25804
1032 1 9 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.710 -2.665 25804
1033 1 9 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.202 9.327 25804
1034 1 9 . 1 1 20 20 CYS H H 20 8.399 8.399 7.652 0.747 25804
1035 1 9 . 1 1 21 21 CYS N N 21 121.142 121.142 122.592 -1.450 25804
1036 1 9 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.464 0.164 25804
1037 1 9 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.567 -5.261 25804
1038 1 9 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.860 10.866 25804
1039 1 9 . 1 1 21 21 CYS H H 21 9.291 9.291 8.766 0.525 25804
1040 1 9 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.188 0.028 25804
1041 1 9 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.005 0.237 25804
1042 1 9 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.922 -0.172 25804
1043 1 9 . 1 1 23 23 GLY N N 23 111.521 111.521 110.042 1.479 25804
1044 1 9 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.816 -0.197 25804
1045 1 9 . 1 1 23 23 GLY H H 23 8.603 8.603 8.511 0.092 25804
1046 1 9 . 1 1 24 24 LEU N N 24 119.440 119.440 120.801 -1.361 25804
1047 1 9 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.738 -0.032 25804
1048 1 9 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.556 -0.863 25804
1049 1 9 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.033 0.352 25804
1050 1 9 . 1 1 24 24 LEU H H 24 7.774 7.774 7.279 0.495 25804
1051 1 9 . 1 1 25 25 ILE N N 25 114.487 114.487 116.128 -1.641 25804
1052 1 9 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.546 -0.108 25804
1053 1 9 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.866 1.470 25804
1054 1 9 . 1 1 25 25 ILE H H 25 8.265 8.265 8.630 -0.365 25804
1055 1 9 . 1 1 26 26 CYS N N 26 123.741 123.741 126.909 -3.168 25804
1056 1 9 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.877 -0.253 25804
1057 1 9 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.627 -2.713 25804
1058 1 9 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.299 14.479 25804
1059 1 9 . 1 1 26 26 CYS H H 26 8.668 8.668 8.959 -0.291 25804
1060 1 9 . 1 1 27 27 GLY N N 27 118.253 118.253 116.945 1.308 25804
1061 1 9 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.944 -2.932 25804
1062 1 9 . 1 1 27 27 GLY H H 27 8.330 8.330 8.278 0.052 25804
1063 1 9 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.020 0.470 25804
1064 1 9 . 1 1 28 28 PRO CA C 28 62.587 62.587 64.778 -2.191 25804
1065 1 9 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.621 -3.753 25804
1066 1 9 . 1 1 29 29 PHE N N 29 110.773 110.773 115.138 -4.365 25804
1067 1 9 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.776 -1.133 25804
1068 1 9 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.434 -7.073 25804
1069 1 9 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.495 -2.946 25804
1070 1 9 . 1 1 29 29 PHE H H 29 8.257 8.257 8.036 0.221 25804
1071 1 9 . 1 1 30 30 VAL N N 30 108.125 108.125 112.061 -3.936 25804
1072 1 9 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.551 0.447 25804
1073 1 9 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.794 -1.575 25804
1074 1 9 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.190 1.456 25804
1075 1 9 . 1 1 30 30 VAL H H 30 6.842 6.842 7.552 -0.710 25804
1076 1 9 . 1 1 31 31 CYS N N 31 121.703 121.703 118.178 3.525 25804
1077 1 9 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.172 -0.241 25804
1078 1 9 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.033 -3.741 25804
1079 1 9 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.753 12.980 25804
1080 1 9 . 1 1 31 31 CYS H H 31 8.515 8.515 8.155 0.360 25804
1081 1 10 . 1 1 2 2 ASP N N 2 121.625 121.625 124.922 -3.297 25804
1082 1 10 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.777 0.001 25804
1083 1 10 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.995 -1.220 25804
1084 1 10 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.282 -3.315 25804
1085 1 10 . 1 1 2 2 ASP H H 2 8.669 8.669 8.596 0.073 25804
1086 1 10 . 1 1 3 3 CYS N N 3 113.713 113.713 118.714 -5.001 25804
1087 1 10 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.015 -0.225 25804
1088 1 10 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.352 -2.440 25804
1089 1 10 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.901 12.444 25804
1090 1 10 . 1 1 3 3 CYS H H 3 7.661 7.661 7.896 -0.235 25804
1091 1 10 . 1 1 4 4 GLN N N 4 118.330 118.330 118.605 -0.275 25804
1092 1 10 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.532 -0.092 25804
1093 1 10 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.019 1.075 25804
1094 1 10 . 1 1 4 4 GLN H H 4 8.770 8.770 7.859 0.911 25804
1095 1 10 . 1 1 5 5 GLU N N 5 120.832 120.832 122.365 -1.533 25804
1096 1 10 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.148 -0.105 25804
1097 1 10 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.898 -2.976 25804
1098 1 10 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.905 -1.578 25804
1099 1 10 . 1 1 5 5 GLU H H 5 7.629 7.629 8.646 -1.017 25804
1100 1 10 . 1 1 6 6 LYS N N 6 119.543 119.543 119.792 -0.249 25804
1101 1 10 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.018 -0.867 25804
1102 1 10 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.522 0.493 25804
1103 1 10 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.038 0.349 25804
1104 1 10 . 1 1 6 6 LYS H H 6 7.670 7.670 8.554 -0.884 25804
1105 1 10 . 1 1 7 7 TRP N N 7 115.545 115.545 118.844 -3.299 25804
1106 1 10 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.762 -0.714 25804
1107 1 10 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.039 2.678 25804
1108 1 10 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.453 -1.158 25804
1109 1 10 . 1 1 7 7 TRP H H 7 8.913 8.913 8.016 0.897 25804
1110 1 10 . 1 1 8 8 GLU N N 8 115.184 115.184 119.546 -4.362 25804
1111 1 10 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.306 0.107 25804
1112 1 10 . 1 1 8 8 GLU CB C 8 29.536 29.536 29.892 -0.356 25804
1113 1 10 . 1 1 8 8 GLU H H 8 7.779 7.779 7.427 0.352 25804
1114 1 10 . 1 1 9 9 TYR N N 9 118.021 118.021 117.024 0.997 25804
1115 1 10 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.734 0.190 25804
1116 1 10 . 1 1 9 9 TYR CA C 9 59.058 59.058 58.282 0.776 25804
1117 1 10 . 1 1 9 9 TYR CB C 9 39.219 39.219 39.352 -0.133 25804
1118 1 10 . 1 1 9 9 TYR H H 9 7.863 7.863 8.612 -0.749 25804
1119 1 10 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.126 0.807 25804
1120 1 10 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.860 -4.039 25804
1121 1 10 . 1 1 10 10 CYS CB C 10 40.569 40.569 27.341 13.228 25804
1122 1 10 . 1 1 10 10 CYS H H 10 8.273 8.273 8.035 0.238 25804
1123 1 10 . 1 1 11 11 ILE N N 11 115.502 115.502 126.969 -11.467 25804
1124 1 10 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.375 0.035 25804
1125 1 10 . 1 1 11 11 ILE CB C 11 42.112 42.112 40.922 1.190 25804
1126 1 10 . 1 1 11 11 ILE H H 11 8.313 8.313 8.397 -0.084 25804
1127 1 10 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.690 -0.169 25804
1128 1 10 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.105 -0.369 25804
1129 1 10 . 1 1 12 12 VAL CB C 12 34.704 34.704 33.458 1.246 25804
1130 1 10 . 1 1 12 12 VAL H H 12 8.218 8.218 8.377 -0.159 25804
1131 1 10 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.341 -0.222 25804
1132 1 10 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.374 0.028 25804
1133 1 10 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.691 0.051 25804
1134 1 10 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.378 -0.262 25804
1135 1 10 . 1 1 14 14 ILE CA C 14 55.871 55.871 58.533 -2.662 25804
1136 1 10 . 1 1 14 14 ILE CB C 14 42.329 42.329 41.056 1.273 25804
1137 1 10 . 1 1 14 14 ILE H H 14 7.703 7.703 7.272 0.431 25804
1138 1 10 . 1 1 16 16 GLY N N 16 106.027 106.027 113.709 -7.682 25804
1139 1 10 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.902 0.504 25804
1140 1 10 . 1 1 16 16 GLY H H 16 7.983 7.983 8.726 -0.743 25804
1141 1 10 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.836 -0.327 25804
1142 1 10 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.094 -1.591 25804
1143 1 10 . 1 1 17 17 PHE H H 17 7.690 7.690 7.633 0.057 25804
1144 1 10 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.225 0.668 25804
1145 1 10 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.639 -2.911 25804
1146 1 10 . 1 1 18 18 VAL CB C 18 35.994 35.994 32.836 3.158 25804
1147 1 10 . 1 1 18 18 VAL H H 18 7.549 7.549 8.114 -0.565 25804
1148 1 10 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.791 -0.372 25804
1149 1 10 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.825 -0.615 25804
1150 1 10 . 1 1 19 19 TYR H H 19 7.528 7.528 8.613 -1.085 25804
1151 1 10 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.244 0.668 25804
1152 1 10 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.798 -2.753 25804
1153 1 10 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.178 9.351 25804
1154 1 10 . 1 1 20 20 CYS H H 20 8.399 8.399 7.850 0.549 25804
1155 1 10 . 1 1 21 21 CYS N N 21 121.142 121.142 122.310 -1.168 25804
1156 1 10 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.452 0.176 25804
1157 1 10 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.748 -5.442 25804
1158 1 10 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.786 10.940 25804
1159 1 10 . 1 1 21 21 CYS H H 21 9.291 9.291 8.690 0.601 25804
1160 1 10 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.273 -0.057 25804
1161 1 10 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.313 -0.071 25804
1162 1 10 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.710 0.039 25804
1163 1 10 . 1 1 23 23 GLY N N 23 111.521 111.521 109.879 1.642 25804
1164 1 10 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.722 -0.104 25804
1165 1 10 . 1 1 23 23 GLY H H 23 8.603 8.603 8.466 0.137 25804
1166 1 10 . 1 1 24 24 LEU N N 24 119.440 119.440 121.122 -1.682 25804
1167 1 10 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.712 -0.006 25804
1168 1 10 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.754 -1.062 25804
1169 1 10 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.551 0.834 25804
1170 1 10 . 1 1 24 24 LEU H H 24 7.774 7.774 7.315 0.459 25804
1171 1 10 . 1 1 25 25 ILE N N 25 114.487 114.487 115.370 -0.883 25804
1172 1 10 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.500 -0.062 25804
1173 1 10 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.291 2.045 25804
1174 1 10 . 1 1 25 25 ILE H H 25 8.265 8.265 8.735 -0.470 25804
1175 1 10 . 1 1 26 26 CYS N N 26 123.741 123.741 127.236 -3.495 25804
1176 1 10 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.857 -0.233 25804
1177 1 10 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.061 -2.147 25804
1178 1 10 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.586 14.192 25804
1179 1 10 . 1 1 26 26 CYS H H 26 8.668 8.668 8.803 -0.135 25804
1180 1 10 . 1 1 27 27 GLY N N 27 118.253 118.253 116.069 2.184 25804
1181 1 10 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.833 -2.821 25804
1182 1 10 . 1 1 27 27 GLY H H 27 8.330 8.330 8.549 -0.218 25804
1183 1 10 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.394 0.096 25804
1184 1 10 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.052 -2.465 25804
1185 1 10 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.842 -3.974 25804
1186 1 10 . 1 1 29 29 PHE N N 29 110.773 110.773 114.149 -3.376 25804
1187 1 10 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.546 -0.903 25804
1188 1 10 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.163 -7.802 25804
1189 1 10 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.077 -2.528 25804
1190 1 10 . 1 1 29 29 PHE H H 29 8.257 8.257 7.755 0.502 25804
1191 1 10 . 1 1 30 30 VAL N N 30 108.125 108.125 116.777 -8.652 25804
1192 1 10 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.379 0.619 25804
1193 1 10 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.555 -2.336 25804
1194 1 10 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.283 2.363 25804
1195 1 10 . 1 1 30 30 VAL H H 30 6.842 6.842 7.730 -0.888 25804
1196 1 10 . 1 1 31 31 CYS N N 31 121.703 121.703 117.884 3.819 25804
1197 1 10 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.276 -0.345 25804
1198 1 10 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.832 -3.540 25804
1199 1 10 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.233 12.500 25804
1200 1 10 . 1 1 31 31 CYS H H 31 8.515 8.515 7.970 0.545 25804
1201 1 11 . 1 1 2 2 ASP N N 2 121.625 121.625 122.404 -0.779 25804
1202 1 11 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.847 -0.069 25804
1203 1 11 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.292 -0.517 25804
1204 1 11 . 1 1 2 2 ASP CB C 2 37.967 37.967 42.479 -4.512 25804
1205 1 11 . 1 1 2 2 ASP H H 2 8.669 8.669 8.496 0.173 25804
1206 1 11 . 1 1 3 3 CYS N N 3 113.713 113.713 116.558 -2.845 25804
1207 1 11 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.736 0.054 25804
1208 1 11 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.786 -2.874 25804
1209 1 11 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.805 12.540 25804
1210 1 11 . 1 1 3 3 CYS H H 3 7.661 7.661 8.532 -0.871 25804
1211 1 11 . 1 1 4 4 GLN N N 4 118.330 118.330 118.685 -0.355 25804
1212 1 11 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.712 -0.272 25804
1213 1 11 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.028 1.066 25804
1214 1 11 . 1 1 4 4 GLN H H 4 8.770 8.770 8.355 0.415 25804
1215 1 11 . 1 1 5 5 GLU N N 5 120.832 120.832 121.241 -0.409 25804
1216 1 11 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.063 -0.020 25804
1217 1 11 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.887 -2.965 25804
1218 1 11 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.372 -1.044 25804
1219 1 11 . 1 1 5 5 GLU H H 5 7.629 7.629 8.798 -1.169 25804
1220 1 11 . 1 1 6 6 LYS N N 6 119.543 119.543 120.003 -0.460 25804
1221 1 11 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.943 -0.792 25804
1222 1 11 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.977 0.038 25804
1223 1 11 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.123 0.265 25804
1224 1 11 . 1 1 6 6 LYS H H 6 7.670 7.670 8.644 -0.974 25804
1225 1 11 . 1 1 7 7 TRP N N 7 115.545 115.545 118.095 -2.550 25804
1226 1 11 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.684 -0.636 25804
1227 1 11 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.342 2.375 25804
1228 1 11 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.907 -1.612 25804
1229 1 11 . 1 1 7 7 TRP H H 7 8.913 8.913 7.888 1.025 25804
1230 1 11 . 1 1 8 8 GLU N N 8 115.184 115.184 117.629 -2.445 25804
1231 1 11 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.135 0.278 25804
1232 1 11 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.689 -1.153 25804
1233 1 11 . 1 1 8 8 GLU H H 8 7.779 7.779 7.234 0.545 25804
1234 1 11 . 1 1 9 9 TYR N N 9 118.021 118.021 118.275 -0.254 25804
1235 1 11 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.384 0.540 25804
1236 1 11 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.983 -1.925 25804
1237 1 11 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.199 1.020 25804
1238 1 11 . 1 1 9 9 TYR H H 9 7.863 7.863 8.587 -0.724 25804
1239 1 11 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.920 1.013 25804
1240 1 11 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.854 -6.033 25804
1241 1 11 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.446 14.123 25804
1242 1 11 . 1 1 10 10 CYS H H 10 8.273 8.273 8.351 -0.078 25804
1243 1 11 . 1 1 11 11 ILE N N 11 115.502 115.502 123.308 -7.806 25804
1244 1 11 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.329 0.081 25804
1245 1 11 . 1 1 11 11 ILE CB C 11 42.112 42.112 37.983 4.129 25804
1246 1 11 . 1 1 11 11 ILE H H 11 8.313 8.313 7.609 0.704 25804
1247 1 11 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.457 0.064 25804
1248 1 11 . 1 1 12 12 VAL CA C 12 57.736 57.736 59.259 -1.523 25804
1249 1 11 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.342 2.362 25804
1250 1 11 . 1 1 12 12 VAL H H 12 8.218 8.218 8.293 -0.075 25804
1251 1 11 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.505 -0.386 25804
1252 1 11 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.708 0.694 25804
1253 1 11 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.945 -0.203 25804
1254 1 11 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.298 -0.181 25804
1255 1 11 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.273 -4.402 25804
1256 1 11 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.332 2.997 25804
1257 1 11 . 1 1 14 14 ILE H H 14 7.703 7.703 7.483 0.220 25804
1258 1 11 . 1 1 16 16 GLY N N 16 106.027 106.027 110.119 -4.092 25804
1259 1 11 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.721 0.685 25804
1260 1 11 . 1 1 16 16 GLY H H 16 7.983 7.983 8.692 -0.709 25804
1261 1 11 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.794 -0.285 25804
1262 1 11 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.447 -1.944 25804
1263 1 11 . 1 1 17 17 PHE H H 17 7.690 7.690 7.434 0.256 25804
1264 1 11 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.506 0.387 25804
1265 1 11 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.621 -0.893 25804
1266 1 11 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.760 2.234 25804
1267 1 11 . 1 1 18 18 VAL H H 18 7.549 7.549 8.381 -0.832 25804
1268 1 11 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.999 -0.580 25804
1269 1 11 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.517 -0.307 25804
1270 1 11 . 1 1 19 19 TYR H H 19 7.528 7.528 7.754 -0.226 25804
1271 1 11 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.660 0.252 25804
1272 1 11 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.500 -2.455 25804
1273 1 11 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.245 14.284 25804
1274 1 11 . 1 1 20 20 CYS H H 20 8.399 8.399 8.630 -0.231 25804
1275 1 11 . 1 1 21 21 CYS N N 21 121.142 121.142 125.163 -4.021 25804
1276 1 11 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.253 0.375 25804
1277 1 11 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.317 -6.011 25804
1278 1 11 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.044 11.682 25804
1279 1 11 . 1 1 21 21 CYS H H 21 9.291 9.291 8.776 0.515 25804
1280 1 11 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.398 -0.182 25804
1281 1 11 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.512 -0.270 25804
1282 1 11 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.821 -0.072 25804
1283 1 11 . 1 1 23 23 GLY N N 23 111.521 111.521 110.329 1.192 25804
1284 1 11 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.705 -0.087 25804
1285 1 11 . 1 1 23 23 GLY H H 23 8.603 8.603 8.579 0.024 25804
1286 1 11 . 1 1 24 24 LEU N N 24 119.440 119.440 121.975 -2.535 25804
1287 1 11 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.606 0.100 25804
1288 1 11 . 1 1 24 24 LEU CA C 24 52.692 52.692 54.198 -1.506 25804
1289 1 11 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.297 1.088 25804
1290 1 11 . 1 1 24 24 LEU H H 24 7.774 7.774 7.417 0.357 25804
1291 1 11 . 1 1 25 25 ILE N N 25 114.487 114.487 115.947 -1.460 25804
1292 1 11 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.591 -0.153 25804
1293 1 11 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.773 1.563 25804
1294 1 11 . 1 1 25 25 ILE H H 25 8.265 8.265 8.648 -0.383 25804
1295 1 11 . 1 1 26 26 CYS N N 26 123.741 123.741 126.572 -2.831 25804
1296 1 11 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.853 -0.229 25804
1297 1 11 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.804 -2.890 25804
1298 1 11 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.499 14.279 25804
1299 1 11 . 1 1 26 26 CYS H H 26 8.668 8.668 8.893 -0.225 25804
1300 1 11 . 1 1 27 27 GLY N N 27 118.253 118.253 115.991 2.262 25804
1301 1 11 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.865 -2.853 25804
1302 1 11 . 1 1 27 27 GLY H H 27 8.330 8.330 8.575 -0.245 25804
1303 1 11 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.476 0.014 25804
1304 1 11 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.982 -1.395 25804
1305 1 11 . 1 1 28 28 PRO CB C 28 27.868 27.868 32.112 -4.244 25804
1306 1 11 . 1 1 29 29 PHE N N 29 110.773 110.773 113.243 -2.470 25804
1307 1 11 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.738 -1.095 25804
1308 1 11 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.905 -7.544 25804
1309 1 11 . 1 1 29 29 PHE CB C 29 37.549 37.549 41.097 -3.549 25804
1310 1 11 . 1 1 29 29 PHE H H 29 8.257 8.257 7.851 0.406 25804
1311 1 11 . 1 1 30 30 VAL N N 30 108.125 108.125 114.967 -6.842 25804
1312 1 11 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.472 0.526 25804
1313 1 11 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.116 -0.897 25804
1314 1 11 . 1 1 30 30 VAL CB C 30 36.646 36.646 33.994 2.652 25804
1315 1 11 . 1 1 30 30 VAL H H 30 6.842 6.842 7.594 -0.752 25804
1316 1 11 . 1 1 31 31 CYS N N 31 121.703 121.703 117.727 3.976 25804
1317 1 11 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.319 -0.388 25804
1318 1 11 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.387 -3.095 25804
1319 1 11 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.680 12.053 25804
1320 1 11 . 1 1 31 31 CYS H H 31 8.515 8.515 8.185 0.330 25804
1321 1 12 . 1 1 2 2 ASP N N 2 121.625 121.625 125.697 -4.072 25804
1322 1 12 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.829 -0.051 25804
1323 1 12 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.732 -1.957 25804
1324 1 12 . 1 1 2 2 ASP CB C 2 37.967 37.967 39.979 -2.012 25804
1325 1 12 . 1 1 2 2 ASP H H 2 8.669 8.669 8.524 0.145 25804
1326 1 12 . 1 1 3 3 CYS N N 3 113.713 113.713 117.901 -4.188 25804
1327 1 12 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.928 -0.138 25804
1328 1 12 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.434 -3.522 25804
1329 1 12 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.890 12.455 25804
1330 1 12 . 1 1 3 3 CYS H H 3 7.661 7.661 8.110 -0.449 25804
1331 1 12 . 1 1 4 4 GLN N N 4 118.330 118.330 119.761 -1.431 25804
1332 1 12 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.533 -0.093 25804
1333 1 12 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.816 1.278 25804
1334 1 12 . 1 1 4 4 GLN H H 4 8.770 8.770 8.035 0.735 25804
1335 1 12 . 1 1 5 5 GLU N N 5 120.832 120.832 121.314 -0.482 25804
1336 1 12 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.147 -0.104 25804
1337 1 12 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.826 -2.904 25804
1338 1 12 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.609 -1.282 25804
1339 1 12 . 1 1 5 5 GLU H H 5 7.629 7.629 8.808 -1.179 25804
1340 1 12 . 1 1 6 6 LYS N N 6 119.543 119.543 119.745 -0.202 25804
1341 1 12 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.978 -0.827 25804
1342 1 12 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.809 0.206 25804
1343 1 12 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.239 0.149 25804
1344 1 12 . 1 1 6 6 LYS H H 6 7.670 7.670 8.647 -0.977 25804
1345 1 12 . 1 1 7 7 TRP N N 7 115.545 115.545 118.403 -2.858 25804
1346 1 12 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.735 -0.687 25804
1347 1 12 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.209 2.507 25804
1348 1 12 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.761 -1.466 25804
1349 1 12 . 1 1 7 7 TRP H H 7 8.913 8.913 7.982 0.930 25804
1350 1 12 . 1 1 8 8 GLU N N 8 115.184 115.184 117.932 -2.748 25804
1351 1 12 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.486 -0.073 25804
1352 1 12 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.603 -1.067 25804
1353 1 12 . 1 1 8 8 GLU H H 8 7.779 7.779 7.549 0.230 25804
1354 1 12 . 1 1 9 9 TYR N N 9 118.021 118.021 120.363 -2.342 25804
1355 1 12 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.436 0.488 25804
1356 1 12 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.029 -1.971 25804
1357 1 12 . 1 1 9 9 TYR CB C 9 39.219 39.219 39.232 -0.013 25804
1358 1 12 . 1 1 9 9 TYR H H 9 7.863 7.863 8.769 -0.906 25804
1359 1 12 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.160 0.773 25804
1360 1 12 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.589 -3.768 25804
1361 1 12 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.997 13.572 25804
1362 1 12 . 1 1 10 10 CYS H H 10 8.273 8.273 7.980 0.293 25804
1363 1 12 . 1 1 11 11 ILE N N 11 115.502 115.502 125.674 -10.172 25804
1364 1 12 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.529 -0.119 25804
1365 1 12 . 1 1 11 11 ILE CB C 11 42.112 42.112 41.685 0.427 25804
1366 1 12 . 1 1 11 11 ILE H H 11 8.313 8.313 8.186 0.127 25804
1367 1 12 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.799 -0.278 25804
1368 1 12 . 1 1 12 12 VAL CA C 12 57.736 57.736 59.854 -2.118 25804
1369 1 12 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.861 1.843 25804
1370 1 12 . 1 1 12 12 VAL H H 12 8.218 8.218 8.712 -0.494 25804
1371 1 12 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.435 -0.316 25804
1372 1 12 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.611 -0.209 25804
1373 1 12 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.311 -0.569 25804
1374 1 12 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.426 -0.309 25804
1375 1 12 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.466 -3.595 25804
1376 1 12 . 1 1 14 14 ILE CB C 14 42.329 42.329 42.330 -0.001 25804
1377 1 12 . 1 1 14 14 ILE H H 14 7.703 7.703 7.657 0.046 25804
1378 1 12 . 1 1 16 16 GLY N N 16 106.027 106.027 110.876 -4.849 25804
1379 1 12 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.530 0.876 25804
1380 1 12 . 1 1 16 16 GLY H H 16 7.983 7.983 8.586 -0.603 25804
1381 1 12 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.732 -0.223 25804
1382 1 12 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.394 -1.891 25804
1383 1 12 . 1 1 17 17 PHE H H 17 7.690 7.690 8.073 -0.383 25804
1384 1 12 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.602 0.291 25804
1385 1 12 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.470 -0.742 25804
1386 1 12 . 1 1 18 18 VAL CB C 18 35.994 35.994 34.772 1.222 25804
1387 1 12 . 1 1 18 18 VAL H H 18 7.549 7.549 8.182 -0.633 25804
1388 1 12 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.833 -0.414 25804
1389 1 12 . 1 1 19 19 TYR CB C 19 39.210 39.210 37.811 1.399 25804
1390 1 12 . 1 1 19 19 TYR H H 19 7.528 7.528 8.648 -1.120 25804
1391 1 12 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.722 0.190 25804
1392 1 12 . 1 1 20 20 CYS CA C 20 55.045 55.045 58.468 -3.423 25804
1393 1 12 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.734 8.795 25804
1394 1 12 . 1 1 20 20 CYS H H 20 8.399 8.399 8.406 -0.007 25804
1395 1 12 . 1 1 21 21 CYS N N 21 121.142 121.142 122.813 -1.671 25804
1396 1 12 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.581 0.047 25804
1397 1 12 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.821 -5.515 25804
1398 1 12 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.930 10.796 25804
1399 1 12 . 1 1 21 21 CYS H H 21 9.291 9.291 8.892 0.399 25804
1400 1 12 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.355 -0.139 25804
1401 1 12 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.306 -0.064 25804
1402 1 12 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.791 -0.042 25804
1403 1 12 . 1 1 23 23 GLY N N 23 111.521 111.521 110.033 1.488 25804
1404 1 12 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.715 -0.097 25804
1405 1 12 . 1 1 23 23 GLY H H 23 8.603 8.603 8.505 0.098 25804
1406 1 12 . 1 1 24 24 LEU N N 24 119.440 119.440 121.576 -2.136 25804
1407 1 12 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.631 0.075 25804
1408 1 12 . 1 1 24 24 LEU CA C 24 52.692 52.692 54.026 -1.335 25804
1409 1 12 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.315 1.070 25804
1410 1 12 . 1 1 24 24 LEU H H 24 7.774 7.774 7.380 0.394 25804
1411 1 12 . 1 1 25 25 ILE N N 25 114.487 114.487 116.547 -2.060 25804
1412 1 12 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.492 -0.054 25804
1413 1 12 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.572 1.764 25804
1414 1 12 . 1 1 25 25 ILE H H 25 8.265 8.265 8.681 -0.416 25804
1415 1 12 . 1 1 26 26 CYS N N 26 123.741 123.741 127.008 -3.267 25804
1416 1 12 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.848 -0.225 25804
1417 1 12 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.529 -2.615 25804
1418 1 12 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.306 14.472 25804
1419 1 12 . 1 1 26 26 CYS H H 26 8.668 8.668 8.970 -0.302 25804
1420 1 12 . 1 1 27 27 GLY N N 27 118.253 118.253 116.660 1.593 25804
1421 1 12 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.831 -2.819 25804
1422 1 12 . 1 1 27 27 GLY H H 27 8.330 8.330 8.424 -0.094 25804
1423 1 12 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.293 0.197 25804
1424 1 12 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.365 -2.778 25804
1425 1 12 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.800 -3.932 25804
1426 1 12 . 1 1 29 29 PHE N N 29 110.773 110.773 113.114 -2.341 25804
1427 1 12 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.419 -0.776 25804
1428 1 12 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.085 -7.724 25804
1429 1 12 . 1 1 29 29 PHE CB C 29 37.549 37.549 39.959 -2.410 25804
1430 1 12 . 1 1 29 29 PHE H H 29 8.257 8.257 7.760 0.497 25804
1431 1 12 . 1 1 30 30 VAL N N 30 108.125 108.125 116.762 -8.637 25804
1432 1 12 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.405 0.593 25804
1433 1 12 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.684 -2.466 25804
1434 1 12 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.139 2.507 25804
1435 1 12 . 1 1 30 30 VAL H H 30 6.842 6.842 7.695 -0.853 25804
1436 1 12 . 1 1 31 31 CYS N N 31 121.703 121.703 117.978 3.725 25804
1437 1 12 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.262 -0.331 25804
1438 1 12 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.765 -3.473 25804
1439 1 12 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.157 12.576 25804
1440 1 12 . 1 1 31 31 CYS H H 31 8.515 8.515 8.089 0.426 25804
1441 1 13 . 1 1 2 2 ASP N N 2 121.625 121.625 120.900 0.725 25804
1442 1 13 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.934 -0.156 25804
1443 1 13 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.472 -0.697 25804
1444 1 13 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.560 -3.593 25804
1445 1 13 . 1 1 2 2 ASP H H 2 8.669 8.669 8.436 0.233 25804
1446 1 13 . 1 1 3 3 CYS N N 3 113.713 113.713 115.674 -1.961 25804
1447 1 13 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.317 -0.527 25804
1448 1 13 . 1 1 3 3 CYS CA C 3 53.912 53.912 55.826 -1.914 25804
1449 1 13 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.947 12.398 25804
1450 1 13 . 1 1 3 3 CYS H H 3 7.661 7.661 8.328 -0.667 25804
1451 1 13 . 1 1 4 4 GLN N N 4 118.330 118.330 118.680 -0.350 25804
1452 1 13 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.677 -0.237 25804
1453 1 13 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.239 0.855 25804
1454 1 13 . 1 1 4 4 GLN H H 4 8.770 8.770 8.735 0.035 25804
1455 1 13 . 1 1 5 5 GLU N N 5 120.832 120.832 120.903 -0.071 25804
1456 1 13 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.138 -0.095 25804
1457 1 13 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.791 -2.869 25804
1458 1 13 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.517 -1.190 25804
1459 1 13 . 1 1 5 5 GLU H H 5 7.629 7.629 8.793 -1.164 25804
1460 1 13 . 1 1 6 6 LYS N N 6 119.543 119.543 119.766 -0.223 25804
1461 1 13 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.965 -0.814 25804
1462 1 13 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.857 0.158 25804
1463 1 13 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.184 0.204 25804
1464 1 13 . 1 1 6 6 LYS H H 6 7.670 7.670 8.642 -0.972 25804
1465 1 13 . 1 1 7 7 TRP N N 7 115.545 115.545 118.098 -2.553 25804
1466 1 13 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.678 -0.630 25804
1467 1 13 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.394 2.323 25804
1468 1 13 . 1 1 7 7 TRP CB C 7 27.295 27.295 29.020 -1.725 25804
1469 1 13 . 1 1 7 7 TRP H H 7 8.913 8.913 7.831 1.082 25804
1470 1 13 . 1 1 8 8 GLU N N 8 115.184 115.184 117.435 -2.251 25804
1471 1 13 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.164 0.249 25804
1472 1 13 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.715 -1.179 25804
1473 1 13 . 1 1 8 8 GLU H H 8 7.779 7.779 7.203 0.576 25804
1474 1 13 . 1 1 9 9 TYR N N 9 118.021 118.021 118.271 -0.250 25804
1475 1 13 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.210 0.714 25804
1476 1 13 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.396 -2.338 25804
1477 1 13 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.286 0.933 25804
1478 1 13 . 1 1 9 9 TYR H H 9 7.863 7.863 8.668 -0.805 25804
1479 1 13 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.982 0.951 25804
1480 1 13 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.852 -6.031 25804
1481 1 13 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.657 13.912 25804
1482 1 13 . 1 1 10 10 CYS H H 10 8.273 8.273 7.940 0.333 25804
1483 1 13 . 1 1 11 11 ILE N N 11 115.502 115.502 123.286 -7.784 25804
1484 1 13 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.409 0.001 25804
1485 1 13 . 1 1 11 11 ILE CB C 11 42.112 42.112 38.147 3.965 25804
1486 1 13 . 1 1 11 11 ILE H H 11 8.313 8.313 8.117 0.196 25804
1487 1 13 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.591 -0.070 25804
1488 1 13 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.333 -0.597 25804
1489 1 13 . 1 1 12 12 VAL CB C 12 34.704 34.704 35.691 -0.987 25804
1490 1 13 . 1 1 12 12 VAL H H 12 8.218 8.218 8.516 -0.298 25804
1491 1 13 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.718 -0.599 25804
1492 1 13 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.386 1.016 25804
1493 1 13 . 1 1 13 13 PRO CB C 13 31.742 31.742 30.910 0.832 25804
1494 1 13 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.290 -0.173 25804
1495 1 13 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.743 -3.872 25804
1496 1 13 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.279 3.050 25804
1497 1 13 . 1 1 14 14 ILE H H 14 7.703 7.703 7.310 0.393 25804
1498 1 13 . 1 1 16 16 GLY N N 16 106.027 106.027 113.037 -7.010 25804
1499 1 13 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.476 0.930 25804
1500 1 13 . 1 1 16 16 GLY H H 16 7.983 7.983 8.559 -0.576 25804
1501 1 13 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.242 0.267 25804
1502 1 13 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.785 -0.282 25804
1503 1 13 . 1 1 17 17 PHE H H 17 7.690 7.690 7.812 -0.122 25804
1504 1 13 . 1 1 18 18 VAL HA H 18 4.893 4.893 3.982 0.911 25804
1505 1 13 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.353 -1.625 25804
1506 1 13 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.271 2.723 25804
1507 1 13 . 1 1 18 18 VAL H H 18 7.549 7.549 7.268 0.281 25804
1508 1 13 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.775 -0.356 25804
1509 1 13 . 1 1 19 19 TYR CB C 19 39.210 39.210 40.251 -1.041 25804
1510 1 13 . 1 1 19 19 TYR H H 19 7.528 7.528 8.408 -0.880 25804
1511 1 13 . 1 1 20 20 CYS HA H 20 4.912 4.912 5.044 -0.132 25804
1512 1 13 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.103 -2.058 25804
1513 1 13 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.903 13.626 25804
1514 1 13 . 1 1 20 20 CYS H H 20 8.399 8.399 8.683 -0.284 25804
1515 1 13 . 1 1 21 21 CYS N N 21 121.142 121.142 124.876 -3.734 25804
1516 1 13 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.424 0.204 25804
1517 1 13 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.380 -6.074 25804
1518 1 13 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.214 11.512 25804
1519 1 13 . 1 1 21 21 CYS H H 21 9.291 9.291 8.803 0.488 25804
1520 1 13 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.296 -0.080 25804
1521 1 13 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.448 -0.206 25804
1522 1 13 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.846 -0.097 25804
1523 1 13 . 1 1 23 23 GLY N N 23 111.521 111.521 108.976 2.545 25804
1524 1 13 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.832 -0.214 25804
1525 1 13 . 1 1 23 23 GLY H H 23 8.603 8.603 8.560 0.043 25804
1526 1 13 . 1 1 24 24 LEU N N 24 119.440 119.440 121.080 -1.640 25804
1527 1 13 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.668 0.038 25804
1528 1 13 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.923 -1.231 25804
1529 1 13 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.460 0.925 25804
1530 1 13 . 1 1 24 24 LEU H H 24 7.774 7.774 7.301 0.473 25804
1531 1 13 . 1 1 25 25 ILE N N 25 114.487 114.487 115.946 -1.459 25804
1532 1 13 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.596 -0.158 25804
1533 1 13 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.808 1.528 25804
1534 1 13 . 1 1 25 25 ILE H H 25 8.265 8.265 8.824 -0.559 25804
1535 1 13 . 1 1 26 26 CYS N N 26 123.741 123.741 126.795 -3.054 25804
1536 1 13 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.889 -0.265 25804
1537 1 13 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.655 -2.741 25804
1538 1 13 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.589 14.189 25804
1539 1 13 . 1 1 26 26 CYS H H 26 8.668 8.668 8.929 -0.261 25804
1540 1 13 . 1 1 27 27 GLY N N 27 118.253 118.253 115.567 2.686 25804
1541 1 13 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.528 -2.516 25804
1542 1 13 . 1 1 27 27 GLY H H 27 8.330 8.330 8.565 -0.235 25804
1543 1 13 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.131 0.359 25804
1544 1 13 . 1 1 28 28 PRO CA C 28 62.587 62.587 64.746 -2.159 25804
1545 1 13 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.707 -3.839 25804
1546 1 13 . 1 1 29 29 PHE N N 29 110.773 110.773 112.934 -2.161 25804
1547 1 13 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.760 -1.117 25804
1548 1 13 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.350 -6.989 25804
1549 1 13 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.493 -2.944 25804
1550 1 13 . 1 1 29 29 PHE H H 29 8.257 8.257 8.088 0.169 25804
1551 1 13 . 1 1 30 30 VAL N N 30 108.125 108.125 113.551 -5.426 25804
1552 1 13 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.534 0.464 25804
1553 1 13 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.475 -1.256 25804
1554 1 13 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.263 2.383 25804
1555 1 13 . 1 1 30 30 VAL H H 30 6.842 6.842 7.641 -0.799 25804
1556 1 13 . 1 1 31 31 CYS N N 31 121.703 121.703 117.494 4.209 25804
1557 1 13 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.250 -0.319 25804
1558 1 13 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.624 -3.332 25804
1559 1 13 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.013 12.720 25804
1560 1 13 . 1 1 31 31 CYS H H 31 8.515 8.515 7.983 0.532 25804
1561 1 14 . 1 1 2 2 ASP N N 2 121.625 121.625 123.180 -1.555 25804
1562 1 14 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.880 -0.102 25804
1563 1 14 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.692 -0.917 25804
1564 1 14 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.674 -3.707 25804
1565 1 14 . 1 1 2 2 ASP H H 2 8.669 8.669 8.550 0.119 25804
1566 1 14 . 1 1 3 3 CYS N N 3 113.713 113.713 121.804 -8.091 25804
1567 1 14 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.848 -0.058 25804
1568 1 14 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.567 -2.655 25804
1569 1 14 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.691 12.654 25804
1570 1 14 . 1 1 3 3 CYS H H 3 7.661 7.661 8.715 -1.054 25804
1571 1 14 . 1 1 4 4 GLN N N 4 118.330 118.330 119.933 -1.603 25804
1572 1 14 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.720 -0.280 25804
1573 1 14 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.573 0.521 25804
1574 1 14 . 1 1 4 4 GLN H H 4 8.770 8.770 8.251 0.519 25804
1575 1 14 . 1 1 5 5 GLU N N 5 120.832 120.832 121.949 -1.117 25804
1576 1 14 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.127 -0.084 25804
1577 1 14 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.933 -3.011 25804
1578 1 14 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.626 -1.299 25804
1579 1 14 . 1 1 5 5 GLU H H 5 7.629 7.629 8.857 -1.228 25804
1580 1 14 . 1 1 6 6 LYS N N 6 119.543 119.543 119.012 0.531 25804
1581 1 14 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.981 -0.830 25804
1582 1 14 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.014 0.001 25804
1583 1 14 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.125 0.263 25804
1584 1 14 . 1 1 6 6 LYS H H 6 7.670 7.670 8.619 -0.949 25804
1585 1 14 . 1 1 7 7 TRP N N 7 115.545 115.545 117.927 -2.382 25804
1586 1 14 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.733 -0.685 25804
1587 1 14 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.210 2.507 25804
1588 1 14 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.774 -1.479 25804
1589 1 14 . 1 1 7 7 TRP H H 7 8.913 8.913 8.028 0.885 25804
1590 1 14 . 1 1 8 8 GLU N N 8 115.184 115.184 117.765 -2.581 25804
1591 1 14 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.182 0.231 25804
1592 1 14 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.259 -0.723 25804
1593 1 14 . 1 1 8 8 GLU H H 8 7.779 7.779 7.227 0.552 25804
1594 1 14 . 1 1 9 9 TYR N N 9 118.021 118.021 118.530 -0.509 25804
1595 1 14 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.352 0.572 25804
1596 1 14 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.377 -2.319 25804
1597 1 14 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.380 0.839 25804
1598 1 14 . 1 1 9 9 TYR H H 9 7.863 7.863 8.116 -0.253 25804
1599 1 14 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.905 1.028 25804
1600 1 14 . 1 1 10 10 CYS CA C 10 54.821 54.821 60.861 -6.040 25804
1601 1 14 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.363 14.206 25804
1602 1 14 . 1 1 10 10 CYS H H 10 8.273 8.273 8.308 -0.035 25804
1603 1 14 . 1 1 11 11 ILE N N 11 115.502 115.502 123.157 -7.655 25804
1604 1 14 . 1 1 11 11 ILE HA H 11 4.410 4.410 3.696 0.714 25804
1605 1 14 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.273 2.839 25804
1606 1 14 . 1 1 11 11 ILE H H 11 8.313 8.313 7.500 0.812 25804
1607 1 14 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.257 0.264 25804
1608 1 14 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.390 -0.654 25804
1609 1 14 . 1 1 12 12 VAL CB C 12 34.704 34.704 33.318 1.386 25804
1610 1 14 . 1 1 12 12 VAL H H 12 8.218 8.218 7.887 0.331 25804
1611 1 14 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.401 -0.282 25804
1612 1 14 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.973 0.429 25804
1613 1 14 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.919 -0.177 25804
1614 1 14 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.391 -0.274 25804
1615 1 14 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.004 -4.133 25804
1616 1 14 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.907 2.422 25804
1617 1 14 . 1 1 14 14 ILE H H 14 7.703 7.703 7.287 0.416 25804
1618 1 14 . 1 1 16 16 GLY N N 16 106.027 106.027 106.346 -0.319 25804
1619 1 14 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.971 0.435 25804
1620 1 14 . 1 1 16 16 GLY H H 16 7.983 7.983 8.704 -0.721 25804
1621 1 14 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.793 -0.284 25804
1622 1 14 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.582 -2.079 25804
1623 1 14 . 1 1 17 17 PHE H H 17 7.690 7.690 7.431 0.259 25804
1624 1 14 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.577 0.316 25804
1625 1 14 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.176 -1.448 25804
1626 1 14 . 1 1 18 18 VAL CB C 18 35.994 35.994 35.178 0.816 25804
1627 1 14 . 1 1 18 18 VAL H H 18 7.549 7.549 8.239 -0.690 25804
1628 1 14 . 1 1 19 19 TYR HA H 19 4.419 4.419 5.131 -0.712 25804
1629 1 14 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.853 -0.643 25804
1630 1 14 . 1 1 19 19 TYR H H 19 7.528 7.528 8.643 -1.115 25804
1631 1 14 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.781 0.131 25804
1632 1 14 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.523 -2.478 25804
1633 1 14 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.797 13.732 25804
1634 1 14 . 1 1 20 20 CYS H H 20 8.399 8.399 8.661 -0.262 25804
1635 1 14 . 1 1 21 21 CYS N N 21 121.142 121.142 124.444 -3.302 25804
1636 1 14 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.430 0.198 25804
1637 1 14 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.369 -6.063 25804
1638 1 14 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.091 11.635 25804
1639 1 14 . 1 1 21 21 CYS H H 21 9.291 9.291 8.724 0.567 25804
1640 1 14 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.395 -0.179 25804
1641 1 14 . 1 1 22 22 PRO CA C 22 64.242 64.242 63.991 0.251 25804
1642 1 14 . 1 1 22 22 PRO CB C 22 31.749 31.749 32.142 -0.393 25804
1643 1 14 . 1 1 23 23 GLY N N 23 111.521 111.521 110.276 1.245 25804
1644 1 14 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.760 -0.142 25804
1645 1 14 . 1 1 23 23 GLY H H 23 8.603 8.603 8.386 0.217 25804
1646 1 14 . 1 1 24 24 LEU N N 24 119.440 119.440 120.326 -0.886 25804
1647 1 14 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.808 -0.102 25804
1648 1 14 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.309 -0.617 25804
1649 1 14 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.531 -0.146 25804
1650 1 14 . 1 1 24 24 LEU H H 24 7.774 7.774 7.354 0.420 25804
1651 1 14 . 1 1 25 25 ILE N N 25 114.487 114.487 116.742 -2.255 25804
1652 1 14 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.607 -0.169 25804
1653 1 14 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.615 1.721 25804
1654 1 14 . 1 1 25 25 ILE H H 25 8.265 8.265 8.753 -0.488 25804
1655 1 14 . 1 1 26 26 CYS N N 26 123.741 123.741 126.416 -2.675 25804
1656 1 14 . 1 1 26 26 CYS HA H 26 4.624 4.624 5.057 -0.433 25804
1657 1 14 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.221 -2.307 25804
1658 1 14 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.996 13.782 25804
1659 1 14 . 1 1 26 26 CYS H H 26 8.668 8.668 8.921 -0.253 25804
1660 1 14 . 1 1 27 27 GLY N N 27 118.253 118.253 115.097 3.156 25804
1661 1 14 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.584 -2.572 25804
1662 1 14 . 1 1 27 27 GLY H H 27 8.330 8.330 8.723 -0.393 25804
1663 1 14 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.350 0.140 25804
1664 1 14 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.233 -2.646 25804
1665 1 14 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.848 -3.980 25804
1666 1 14 . 1 1 29 29 PHE N N 29 110.773 110.773 111.415 -0.642 25804
1667 1 14 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.483 -0.840 25804
1668 1 14 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.260 -7.899 25804
1669 1 14 . 1 1 29 29 PHE CB C 29 37.549 37.549 39.493 -1.944 25804
1670 1 14 . 1 1 29 29 PHE H H 29 8.257 8.257 7.828 0.429 25804
1671 1 14 . 1 1 30 30 VAL N N 30 108.125 108.125 115.058 -6.933 25804
1672 1 14 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.460 0.538 25804
1673 1 14 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.627 -1.408 25804
1674 1 14 . 1 1 30 30 VAL CB C 30 36.646 36.646 33.873 2.773 25804
1675 1 14 . 1 1 30 30 VAL H H 30 6.842 6.842 7.632 -0.790 25804
1676 1 14 . 1 1 31 31 CYS N N 31 121.703 121.703 117.651 4.052 25804
1677 1 14 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.509 -0.578 25804
1678 1 14 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.787 -3.495 25804
1679 1 14 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.647 12.086 25804
1680 1 14 . 1 1 31 31 CYS H H 31 8.515 8.515 8.113 0.402 25804
1681 1 15 . 1 1 2 2 ASP N N 2 121.625 121.625 124.527 -2.902 25804
1682 1 15 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.743 0.035 25804
1683 1 15 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.916 -1.141 25804
1684 1 15 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.341 -3.374 25804
1685 1 15 . 1 1 2 2 ASP H H 2 8.669 8.669 8.588 0.081 25804
1686 1 15 . 1 1 3 3 CYS N N 3 113.713 113.713 120.236 -6.523 25804
1687 1 15 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.045 -0.255 25804
1688 1 15 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.751 -2.839 25804
1689 1 15 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.531 12.814 25804
1690 1 15 . 1 1 3 3 CYS H H 3 7.661 7.661 8.248 -0.587 25804
1691 1 15 . 1 1 4 4 GLN N N 4 118.330 118.330 118.818 -0.488 25804
1692 1 15 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.707 -0.267 25804
1693 1 15 . 1 1 4 4 GLN CB C 4 32.094 32.094 31.053 1.041 25804
1694 1 15 . 1 1 4 4 GLN H H 4 8.770 8.770 8.759 0.011 25804
1695 1 15 . 1 1 5 5 GLU N N 5 120.832 120.832 121.314 -0.482 25804
1696 1 15 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.120 -0.077 25804
1697 1 15 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.083 -3.160 25804
1698 1 15 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.410 -1.083 25804
1699 1 15 . 1 1 5 5 GLU H H 5 7.629 7.629 8.818 -1.189 25804
1700 1 15 . 1 1 6 6 LYS N N 6 119.543 119.543 119.130 0.413 25804
1701 1 15 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.921 -0.770 25804
1702 1 15 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.015 -0.000 25804
1703 1 15 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.009 0.379 25804
1704 1 15 . 1 1 6 6 LYS H H 6 7.670 7.670 8.581 -0.911 25804
1705 1 15 . 1 1 7 7 TRP N N 7 115.545 115.545 117.694 -2.149 25804
1706 1 15 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.689 -0.641 25804
1707 1 15 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.066 2.651 25804
1708 1 15 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.788 -1.493 25804
1709 1 15 . 1 1 7 7 TRP H H 7 8.913 8.913 7.994 0.919 25804
1710 1 15 . 1 1 8 8 GLU N N 8 115.184 115.184 117.156 -1.972 25804
1711 1 15 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.168 0.245 25804
1712 1 15 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.375 -0.839 25804
1713 1 15 . 1 1 8 8 GLU H H 8 7.779 7.779 7.203 0.576 25804
1714 1 15 . 1 1 9 9 TYR N N 9 118.021 118.021 119.328 -1.307 25804
1715 1 15 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.434 0.490 25804
1716 1 15 . 1 1 9 9 TYR CA C 9 59.058 59.058 61.464 -2.406 25804
1717 1 15 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.430 0.789 25804
1718 1 15 . 1 1 9 9 TYR H H 9 7.863 7.863 8.253 -0.390 25804
1719 1 15 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.069 0.864 25804
1720 1 15 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.208 -4.387 25804
1721 1 15 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.847 14.722 25804
1722 1 15 . 1 1 10 10 CYS H H 10 8.273 8.273 8.672 -0.399 25804
1723 1 15 . 1 1 11 11 ILE N N 11 115.502 115.502 115.160 0.342 25804
1724 1 15 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.131 0.279 25804
1725 1 15 . 1 1 11 11 ILE CB C 11 42.112 42.112 38.911 3.201 25804
1726 1 15 . 1 1 11 11 ILE H H 11 8.313 8.313 7.325 0.988 25804
1727 1 15 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.079 0.442 25804
1728 1 15 . 1 1 12 12 VAL CA C 12 57.736 57.736 59.950 -2.214 25804
1729 1 15 . 1 1 12 12 VAL CB C 12 34.704 34.704 30.598 4.106 25804
1730 1 15 . 1 1 12 12 VAL H H 12 8.218 8.218 8.212 0.006 25804
1731 1 15 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.415 -0.296 25804
1732 1 15 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.101 0.301 25804
1733 1 15 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.951 -0.209 25804
1734 1 15 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.391 -0.274 25804
1735 1 15 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.149 -3.278 25804
1736 1 15 . 1 1 14 14 ILE CB C 14 42.329 42.329 41.274 1.055 25804
1737 1 15 . 1 1 14 14 ILE H H 14 7.703 7.703 7.393 0.310 25804
1738 1 15 . 1 1 16 16 GLY N N 16 106.027 106.027 106.305 -0.278 25804
1739 1 15 . 1 1 16 16 GLY CA C 16 45.406 45.406 45.824 -0.418 25804
1740 1 15 . 1 1 16 16 GLY H H 16 7.983 7.983 8.521 -0.538 25804
1741 1 15 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.825 -0.316 25804
1742 1 15 . 1 1 17 17 PHE CB C 17 39.503 39.503 39.944 -0.441 25804
1743 1 15 . 1 1 17 17 PHE H H 17 7.690 7.690 7.429 0.261 25804
1744 1 15 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.240 0.653 25804
1745 1 15 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.323 -2.595 25804
1746 1 15 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.015 2.979 25804
1747 1 15 . 1 1 18 18 VAL H H 18 7.549 7.549 8.370 -0.821 25804
1748 1 15 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.931 -0.512 25804
1749 1 15 . 1 1 19 19 TYR CB C 19 39.210 39.210 42.050 -2.841 25804
1750 1 15 . 1 1 19 19 TYR H H 19 7.528 7.528 8.416 -0.888 25804
1751 1 15 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.781 0.131 25804
1752 1 15 . 1 1 20 20 CYS CA C 20 55.045 55.045 56.834 -1.789 25804
1753 1 15 . 1 1 20 20 CYS CB C 20 40.529 40.529 26.560 13.969 25804
1754 1 15 . 1 1 20 20 CYS H H 20 8.399 8.399 7.742 0.657 25804
1755 1 15 . 1 1 21 21 CYS N N 21 121.142 121.142 124.709 -3.567 25804
1756 1 15 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.407 0.221 25804
1757 1 15 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.486 -6.181 25804
1758 1 15 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.279 11.447 25804
1759 1 15 . 1 1 21 21 CYS H H 21 9.291 9.291 8.747 0.544 25804
1760 1 15 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.344 -0.128 25804
1761 1 15 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.332 -0.090 25804
1762 1 15 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.744 0.005 25804
1763 1 15 . 1 1 23 23 GLY N N 23 111.521 111.521 110.686 0.835 25804
1764 1 15 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.745 -0.127 25804
1765 1 15 . 1 1 23 23 GLY H H 23 8.603 8.603 8.555 0.048 25804
1766 1 15 . 1 1 24 24 LEU N N 24 119.440 119.440 120.356 -0.916 25804
1767 1 15 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.829 -0.123 25804
1768 1 15 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.427 -0.735 25804
1769 1 15 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.730 -0.345 25804
1770 1 15 . 1 1 24 24 LEU H H 24 7.774 7.774 7.380 0.394 25804
1771 1 15 . 1 1 25 25 ILE N N 25 114.487 114.487 116.458 -1.971 25804
1772 1 15 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.632 -0.194 25804
1773 1 15 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.969 1.367 25804
1774 1 15 . 1 1 25 25 ILE H H 25 8.265 8.265 8.768 -0.503 25804
1775 1 15 . 1 1 26 26 CYS N N 26 123.741 123.741 126.262 -2.521 25804
1776 1 15 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.803 -0.179 25804
1777 1 15 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.518 -2.604 25804
1778 1 15 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.444 14.334 25804
1779 1 15 . 1 1 26 26 CYS H H 26 8.668 8.668 8.912 -0.244 25804
1780 1 15 . 1 1 27 27 GLY N N 27 118.253 118.253 115.056 3.197 25804
1781 1 15 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.534 -2.522 25804
1782 1 15 . 1 1 27 27 GLY H H 27 8.330 8.330 8.767 -0.437 25804
1783 1 15 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.364 0.126 25804
1784 1 15 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.210 -2.623 25804
1785 1 15 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.856 -3.988 25804
1786 1 15 . 1 1 29 29 PHE N N 29 110.773 110.773 113.606 -2.833 25804
1787 1 15 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.485 -0.842 25804
1788 1 15 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.199 -7.838 25804
1789 1 15 . 1 1 29 29 PHE CB C 29 37.549 37.549 39.661 -2.112 25804
1790 1 15 . 1 1 29 29 PHE H H 29 8.257 8.257 7.764 0.492 25804
1791 1 15 . 1 1 30 30 VAL N N 30 108.125 108.125 116.169 -8.044 25804
1792 1 15 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.701 0.297 25804
1793 1 15 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.335 -2.116 25804
1794 1 15 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.465 2.181 25804
1795 1 15 . 1 1 30 30 VAL H H 30 6.842 6.842 7.750 -0.908 25804
1796 1 15 . 1 1 31 31 CYS N N 31 121.703 121.703 117.345 4.358 25804
1797 1 15 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.290 -0.359 25804
1798 1 15 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.669 -3.377 25804
1799 1 15 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.938 12.795 25804
1800 1 15 . 1 1 31 31 CYS H H 31 8.515 8.515 7.930 0.585 25804
1801 1 16 . 1 1 2 2 ASP N N 2 121.625 121.625 124.444 -2.819 25804
1802 1 16 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.856 -0.078 25804
1803 1 16 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.686 -1.911 25804
1804 1 16 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.087 -2.120 25804
1805 1 16 . 1 1 2 2 ASP H H 2 8.669 8.669 8.661 0.008 25804
1806 1 16 . 1 1 3 3 CYS N N 3 113.713 113.713 116.953 -3.240 25804
1807 1 16 . 1 1 3 3 CYS HA H 3 4.790 4.790 5.029 -0.239 25804
1808 1 16 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.585 -2.673 25804
1809 1 16 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.805 12.540 25804
1810 1 16 . 1 1 3 3 CYS H H 3 7.661 7.661 7.871 -0.210 25804
1811 1 16 . 1 1 4 4 GLN N N 4 118.330 118.330 120.128 -1.798 25804
1812 1 16 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.547 -0.107 25804
1813 1 16 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.264 1.830 25804
1814 1 16 . 1 1 4 4 GLN H H 4 8.770 8.770 8.153 0.617 25804
1815 1 16 . 1 1 5 5 GLU N N 5 120.832 120.832 122.590 -1.758 25804
1816 1 16 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.109 -0.066 25804
1817 1 16 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.691 -2.769 25804
1818 1 16 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.732 -1.405 25804
1819 1 16 . 1 1 5 5 GLU H H 5 7.629 7.629 8.824 -1.195 25804
1820 1 16 . 1 1 6 6 LYS N N 6 119.543 119.543 120.074 -0.531 25804
1821 1 16 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.914 -0.763 25804
1822 1 16 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.844 0.171 25804
1823 1 16 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.140 0.248 25804
1824 1 16 . 1 1 6 6 LYS H H 6 7.670 7.670 8.632 -0.962 25804
1825 1 16 . 1 1 7 7 TRP N N 7 115.545 115.545 117.997 -2.452 25804
1826 1 16 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.640 -0.592 25804
1827 1 16 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.385 2.332 25804
1828 1 16 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.857 -1.562 25804
1829 1 16 . 1 1 7 7 TRP H H 7 8.913 8.913 7.886 1.027 25804
1830 1 16 . 1 1 8 8 GLU N N 8 115.184 115.184 117.203 -2.019 25804
1831 1 16 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.214 0.199 25804
1832 1 16 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.572 -1.036 25804
1833 1 16 . 1 1 8 8 GLU H H 8 7.779 7.779 7.231 0.548 25804
1834 1 16 . 1 1 9 9 TYR N N 9 118.021 118.021 117.832 0.189 25804
1835 1 16 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.534 0.390 25804
1836 1 16 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.194 -1.136 25804
1837 1 16 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.215 1.004 25804
1838 1 16 . 1 1 9 9 TYR H H 9 7.863 7.863 8.408 -0.545 25804
1839 1 16 . 1 1 10 10 CYS HA H 10 4.933 4.933 3.950 0.983 25804
1840 1 16 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.550 -4.729 25804
1841 1 16 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.426 15.143 25804
1842 1 16 . 1 1 10 10 CYS H H 10 8.273 8.273 8.215 0.058 25804
1843 1 16 . 1 1 11 11 ILE N N 11 115.502 115.502 120.750 -5.248 25804
1844 1 16 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.185 0.225 25804
1845 1 16 . 1 1 11 11 ILE CB C 11 42.112 42.112 38.986 3.127 25804
1846 1 16 . 1 1 11 11 ILE H H 11 8.313 8.313 7.633 0.680 25804
1847 1 16 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.632 -0.111 25804
1848 1 16 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.083 -0.347 25804
1849 1 16 . 1 1 12 12 VAL CB C 12 34.704 34.704 31.577 3.127 25804
1850 1 16 . 1 1 12 12 VAL H H 12 8.218 8.218 8.041 0.177 25804
1851 1 16 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.590 -0.471 25804
1852 1 16 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.573 0.829 25804
1853 1 16 . 1 1 13 13 PRO CB C 13 31.742 31.742 29.790 1.952 25804
1854 1 16 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.259 -0.142 25804
1855 1 16 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.265 -4.394 25804
1856 1 16 . 1 1 14 14 ILE CB C 14 42.329 42.329 40.999 1.329 25804
1857 1 16 . 1 1 14 14 ILE H H 14 7.703 7.703 7.851 -0.148 25804
1858 1 16 . 1 1 16 16 GLY N N 16 106.027 106.027 113.176 -7.149 25804
1859 1 16 . 1 1 16 16 GLY CA C 16 45.406 45.406 45.291 0.115 25804
1860 1 16 . 1 1 16 16 GLY H H 16 7.983 7.983 8.937 -0.954 25804
1861 1 16 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.827 -0.318 25804
1862 1 16 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.004 -1.501 25804
1863 1 16 . 1 1 17 17 PHE H H 17 7.690 7.690 7.516 0.174 25804
1864 1 16 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.378 0.515 25804
1865 1 16 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.746 -2.018 25804
1866 1 16 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.998 1.996 25804
1867 1 16 . 1 1 18 18 VAL H H 18 7.549 7.549 7.752 -0.203 25804
1868 1 16 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.770 -0.351 25804
1869 1 16 . 1 1 19 19 TYR CB C 19 39.210 39.210 40.369 -1.159 25804
1870 1 16 . 1 1 19 19 TYR H H 19 7.528 7.528 7.684 -0.156 25804
1871 1 16 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.934 -0.022 25804
1872 1 16 . 1 1 20 20 CYS CA C 20 55.045 55.045 56.014 -0.969 25804
1873 1 16 . 1 1 20 20 CYS CB C 20 40.529 40.529 30.531 9.998 25804
1874 1 16 . 1 1 20 20 CYS H H 20 8.399 8.399 8.033 0.366 25804
1875 1 16 . 1 1 21 21 CYS N N 21 121.142 121.142 122.113 -0.971 25804
1876 1 16 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.587 0.041 25804
1877 1 16 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.383 -6.077 25804
1878 1 16 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.424 11.302 25804
1879 1 16 . 1 1 21 21 CYS H H 21 9.291 9.291 8.788 0.503 25804
1880 1 16 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.362 -0.146 25804
1881 1 16 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.175 0.066 25804
1882 1 16 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.890 -0.141 25804
1883 1 16 . 1 1 23 23 GLY N N 23 111.521 111.521 109.327 2.194 25804
1884 1 16 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.761 -0.143 25804
1885 1 16 . 1 1 23 23 GLY H H 23 8.603 8.603 8.527 0.076 25804
1886 1 16 . 1 1 24 24 LEU N N 24 119.440 119.440 121.354 -1.914 25804
1887 1 16 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.606 0.100 25804
1888 1 16 . 1 1 24 24 LEU CA C 24 52.692 52.692 54.016 -1.324 25804
1889 1 16 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.312 1.073 25804
1890 1 16 . 1 1 24 24 LEU H H 24 7.774 7.774 7.291 0.483 25804
1891 1 16 . 1 1 25 25 ILE N N 25 114.487 114.487 115.815 -1.328 25804
1892 1 16 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.547 -0.109 25804
1893 1 16 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.962 1.373 25804
1894 1 16 . 1 1 25 25 ILE H H 25 8.265 8.265 8.795 -0.530 25804
1895 1 16 . 1 1 26 26 CYS N N 26 123.741 123.741 126.511 -2.770 25804
1896 1 16 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.782 -0.158 25804
1897 1 16 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.861 -2.947 25804
1898 1 16 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.371 14.407 25804
1899 1 16 . 1 1 26 26 CYS H H 26 8.668 8.668 8.840 -0.172 25804
1900 1 16 . 1 1 27 27 GLY N N 27 118.253 118.253 116.027 2.226 25804
1901 1 16 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.763 -2.751 25804
1902 1 16 . 1 1 27 27 GLY H H 27 8.330 8.330 8.755 -0.425 25804
1903 1 16 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.476 0.014 25804
1904 1 16 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.873 -1.286 25804
1905 1 16 . 1 1 28 28 PRO CB C 28 27.868 27.868 32.109 -4.241 25804
1906 1 16 . 1 1 29 29 PHE N N 29 110.773 110.773 116.312 -5.539 25804
1907 1 16 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.704 -1.061 25804
1908 1 16 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.976 -7.615 25804
1909 1 16 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.807 -3.258 25804
1910 1 16 . 1 1 29 29 PHE H H 29 8.257 8.257 7.919 0.338 25804
1911 1 16 . 1 1 30 30 VAL N N 30 108.125 108.125 114.193 -6.068 25804
1912 1 16 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.645 0.353 25804
1913 1 16 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.025 -1.806 25804
1914 1 16 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.142 1.504 25804
1915 1 16 . 1 1 30 30 VAL H H 30 6.842 6.842 7.584 -0.742 25804
1916 1 16 . 1 1 31 31 CYS N N 31 121.703 121.703 118.218 3.485 25804
1917 1 16 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.334 -0.403 25804
1918 1 16 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.294 -4.002 25804
1919 1 16 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.994 12.739 25804
1920 1 16 . 1 1 31 31 CYS H H 31 8.515 8.515 8.079 0.436 25804
1921 1 17 . 1 1 2 2 ASP N N 2 121.625 121.625 123.007 -1.382 25804
1922 1 17 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.743 0.035 25804
1923 1 17 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.022 -1.247 25804
1924 1 17 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.987 -3.020 25804
1925 1 17 . 1 1 2 2 ASP H H 2 8.669 8.669 8.537 0.132 25804
1926 1 17 . 1 1 3 3 CYS N N 3 113.713 113.713 119.613 -5.900 25804
1927 1 17 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.971 -0.181 25804
1928 1 17 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.212 -3.300 25804
1929 1 17 . 1 1 3 3 CYS CB C 3 43.345 43.345 31.132 12.213 25804
1930 1 17 . 1 1 3 3 CYS H H 3 7.661 7.661 8.345 -0.684 25804
1931 1 17 . 1 1 4 4 GLN N N 4 118.330 118.330 119.897 -1.567 25804
1932 1 17 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.598 -0.158 25804
1933 1 17 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.602 1.492 25804
1934 1 17 . 1 1 4 4 GLN H H 4 8.770 8.770 8.167 0.603 25804
1935 1 17 . 1 1 5 5 GLU N N 5 120.832 120.832 121.474 -0.642 25804
1936 1 17 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.122 -0.079 25804
1937 1 17 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.956 -3.034 25804
1938 1 17 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.790 -1.463 25804
1939 1 17 . 1 1 5 5 GLU H H 5 7.629 7.629 8.787 -1.158 25804
1940 1 17 . 1 1 6 6 LYS N N 6 119.543 119.543 120.147 -0.604 25804
1941 1 17 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.994 -0.843 25804
1942 1 17 . 1 1 6 6 LYS CA C 6 59.015 59.015 59.002 0.013 25804
1943 1 17 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.257 0.131 25804
1944 1 17 . 1 1 6 6 LYS H H 6 7.670 7.670 8.678 -1.008 25804
1945 1 17 . 1 1 7 7 TRP N N 7 115.545 115.545 118.139 -2.594 25804
1946 1 17 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.726 -0.678 25804
1947 1 17 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.451 2.266 25804
1948 1 17 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.645 -1.350 25804
1949 1 17 . 1 1 7 7 TRP H H 7 8.913 8.913 7.922 0.991 25804
1950 1 17 . 1 1 8 8 GLU N N 8 115.184 115.184 118.145 -2.961 25804
1951 1 17 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.231 0.182 25804
1952 1 17 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.504 -0.968 25804
1953 1 17 . 1 1 8 8 GLU H H 8 7.779 7.779 7.285 0.494 25804
1954 1 17 . 1 1 9 9 TYR N N 9 118.021 118.021 118.712 -0.691 25804
1955 1 17 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.506 0.418 25804
1956 1 17 . 1 1 9 9 TYR CA C 9 59.058 59.058 59.719 -0.661 25804
1957 1 17 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.705 0.514 25804
1958 1 17 . 1 1 9 9 TYR H H 9 7.863 7.863 8.125 -0.262 25804
1959 1 17 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.291 0.642 25804
1960 1 17 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.122 -4.301 25804
1961 1 17 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.877 14.692 25804
1962 1 17 . 1 1 10 10 CYS H H 10 8.273 8.273 8.059 0.214 25804
1963 1 17 . 1 1 11 11 ILE N N 11 115.502 115.502 128.295 -12.793 25804
1964 1 17 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.296 0.114 25804
1965 1 17 . 1 1 11 11 ILE CB C 11 42.112 42.112 40.160 1.952 25804
1966 1 17 . 1 1 11 11 ILE H H 11 8.313 8.313 7.986 0.328 25804
1967 1 17 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.982 -0.461 25804
1968 1 17 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.922 -1.187 25804
1969 1 17 . 1 1 12 12 VAL CB C 12 34.704 34.704 30.879 3.825 25804
1970 1 17 . 1 1 12 12 VAL H H 12 8.218 8.218 8.518 -0.300 25804
1971 1 17 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.369 -0.250 25804
1972 1 17 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.207 0.195 25804
1973 1 17 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.045 -0.303 25804
1974 1 17 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.377 -0.260 25804
1975 1 17 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.038 -3.167 25804
1976 1 17 . 1 1 14 14 ILE CB C 14 42.329 42.329 38.575 3.754 25804
1977 1 17 . 1 1 14 14 ILE H H 14 7.703 7.703 8.077 -0.374 25804
1978 1 17 . 1 1 16 16 GLY N N 16 106.027 106.027 111.717 -5.690 25804
1979 1 17 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.511 0.894 25804
1980 1 17 . 1 1 16 16 GLY H H 16 7.983 7.983 8.792 -0.809 25804
1981 1 17 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.681 -0.172 25804
1982 1 17 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.680 -2.177 25804
1983 1 17 . 1 1 17 17 PHE H H 17 7.690 7.690 7.558 0.132 25804
1984 1 17 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.329 0.564 25804
1985 1 17 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.904 -2.176 25804
1986 1 17 . 1 1 18 18 VAL CB C 18 35.994 35.994 32.888 3.107 25804
1987 1 17 . 1 1 18 18 VAL H H 18 7.549 7.549 8.247 -0.698 25804
1988 1 17 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.776 -0.357 25804
1989 1 17 . 1 1 19 19 TYR CB C 19 39.210 39.210 37.809 1.401 25804
1990 1 17 . 1 1 19 19 TYR H H 19 7.528 7.528 8.298 -0.770 25804
1991 1 17 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.778 0.134 25804
1992 1 17 . 1 1 20 20 CYS CA C 20 55.045 55.045 56.745 -1.700 25804
1993 1 17 . 1 1 20 20 CYS CB C 20 40.529 40.529 30.108 10.421 25804
1994 1 17 . 1 1 20 20 CYS H H 20 8.399 8.399 8.101 0.298 25804
1995 1 17 . 1 1 21 21 CYS N N 21 121.142 121.142 122.332 -1.190 25804
1996 1 17 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.525 0.103 25804
1997 1 17 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.390 -6.084 25804
1998 1 17 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.527 11.198 25804
1999 1 17 . 1 1 21 21 CYS H H 21 9.291 9.291 8.850 0.441 25804
2000 1 17 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.316 -0.100 25804
2001 1 17 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.223 0.019 25804
2002 1 17 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.889 -0.140 25804
2003 1 17 . 1 1 23 23 GLY N N 23 111.521 111.521 109.266 2.255 25804
2004 1 17 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.767 -0.150 25804
2005 1 17 . 1 1 23 23 GLY H H 23 8.603 8.603 8.534 0.069 25804
2006 1 17 . 1 1 24 24 LEU N N 24 119.440 119.440 121.241 -1.801 25804
2007 1 17 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.668 0.038 25804
2008 1 17 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.868 -1.176 25804
2009 1 17 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.663 0.722 25804
2010 1 17 . 1 1 24 24 LEU H H 24 7.774 7.774 7.295 0.479 25804
2011 1 17 . 1 1 25 25 ILE N N 25 114.487 114.487 114.920 -0.433 25804
2012 1 17 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.555 -0.117 25804
2013 1 17 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.845 1.491 25804
2014 1 17 . 1 1 25 25 ILE H H 25 8.265 8.265 8.568 -0.303 25804
2015 1 17 . 1 1 26 26 CYS N N 26 123.741 123.741 125.209 -1.468 25804
2016 1 17 . 1 1 26 26 CYS HA H 26 4.624 4.624 5.031 -0.407 25804
2017 1 17 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.242 -2.328 25804
2018 1 17 . 1 1 26 26 CYS CB C 26 39.778 39.778 26.018 13.760 25804
2019 1 17 . 1 1 26 26 CYS H H 26 8.668 8.668 8.738 -0.070 25804
2020 1 17 . 1 1 27 27 GLY N N 27 118.253 118.253 115.567 2.686 25804
2021 1 17 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.536 -2.524 25804
2022 1 17 . 1 1 27 27 GLY H H 27 8.330 8.330 8.507 -0.177 25804
2023 1 17 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.374 0.116 25804
2024 1 17 . 1 1 28 28 PRO CA C 28 62.587 62.587 64.443 -1.856 25804
2025 1 17 . 1 1 28 28 PRO CB C 28 27.868 27.868 32.100 -4.232 25804
2026 1 17 . 1 1 29 29 PHE N N 29 110.773 110.773 116.090 -5.317 25804
2027 1 17 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.694 -1.051 25804
2028 1 17 . 1 1 29 29 PHE CA C 29 50.361 50.361 58.092 -7.731 25804
2029 1 17 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.962 -3.413 25804
2030 1 17 . 1 1 29 29 PHE H H 29 8.257 8.257 7.940 0.317 25804
2031 1 17 . 1 1 30 30 VAL N N 30 108.125 108.125 114.048 -5.923 25804
2032 1 17 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.474 0.524 25804
2033 1 17 . 1 1 30 30 VAL CA C 30 58.219 58.219 60.264 -2.045 25804
2034 1 17 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.074 1.572 25804
2035 1 17 . 1 1 30 30 VAL H H 30 6.842 6.842 7.629 -0.787 25804
2036 1 17 . 1 1 31 31 CYS N N 31 121.703 121.703 118.032 3.671 25804
2037 1 17 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.355 -0.424 25804
2038 1 17 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.217 -3.925 25804
2039 1 17 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.569 13.164 25804
2040 1 17 . 1 1 31 31 CYS H H 31 8.515 8.515 8.155 0.360 25804
2041 1 18 . 1 1 2 2 ASP N N 2 121.625 121.625 122.845 -1.220 25804
2042 1 18 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.888 -0.110 25804
2043 1 18 . 1 1 2 2 ASP CA C 2 52.775 52.775 54.142 -1.367 25804
2044 1 18 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.584 -2.617 25804
2045 1 18 . 1 1 2 2 ASP H H 2 8.669 8.669 8.453 0.216 25804
2046 1 18 . 1 1 3 3 CYS N N 3 113.713 113.713 118.364 -4.651 25804
2047 1 18 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.905 -0.115 25804
2048 1 18 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.809 -3.897 25804
2049 1 18 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.585 12.760 25804
2050 1 18 . 1 1 3 3 CYS H H 3 7.661 7.661 8.594 -0.933 25804
2051 1 18 . 1 1 4 4 GLN N N 4 118.330 118.330 119.801 -1.471 25804
2052 1 18 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.475 -0.035 25804
2053 1 18 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.843 1.250 25804
2054 1 18 . 1 1 4 4 GLN H H 4 8.770 8.770 8.018 0.752 25804
2055 1 18 . 1 1 5 5 GLU N N 5 120.832 120.832 121.220 -0.388 25804
2056 1 18 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.165 -0.122 25804
2057 1 18 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.976 -3.054 25804
2058 1 18 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.462 -1.135 25804
2059 1 18 . 1 1 5 5 GLU H H 5 7.629 7.629 8.797 -1.168 25804
2060 1 18 . 1 1 6 6 LYS N N 6 119.543 119.543 118.527 1.016 25804
2061 1 18 . 1 1 6 6 LYS HA H 6 3.151 3.151 4.025 -0.874 25804
2062 1 18 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.951 0.064 25804
2063 1 18 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.110 0.278 25804
2064 1 18 . 1 1 6 6 LYS H H 6 7.670 7.670 8.561 -0.891 25804
2065 1 18 . 1 1 7 7 TRP N N 7 115.545 115.545 118.321 -2.776 25804
2066 1 18 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.743 -0.695 25804
2067 1 18 . 1 1 7 7 TRP CA C 7 58.717 58.717 55.866 2.851 25804
2068 1 18 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.696 -1.401 25804
2069 1 18 . 1 1 7 7 TRP H H 7 8.913 8.913 7.957 0.956 25804
2070 1 18 . 1 1 8 8 GLU N N 8 115.184 115.184 117.294 -2.110 25804
2071 1 18 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.253 0.160 25804
2072 1 18 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.529 -0.993 25804
2073 1 18 . 1 1 8 8 GLU H H 8 7.779 7.779 7.305 0.474 25804
2074 1 18 . 1 1 9 9 TYR N N 9 118.021 118.021 120.142 -2.121 25804
2075 1 18 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.382 0.542 25804
2076 1 18 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.173 -1.115 25804
2077 1 18 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.456 0.763 25804
2078 1 18 . 1 1 9 9 TYR H H 9 7.863 7.863 8.330 -0.467 25804
2079 1 18 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.277 0.656 25804
2080 1 18 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.800 -3.979 25804
2081 1 18 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.107 15.462 25804
2082 1 18 . 1 1 10 10 CYS H H 10 8.273 8.273 8.328 -0.055 25804
2083 1 18 . 1 1 11 11 ILE N N 11 115.502 115.502 116.819 -1.317 25804
2084 1 18 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.433 -0.023 25804
2085 1 18 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.115 2.997 25804
2086 1 18 . 1 1 11 11 ILE H H 11 8.313 8.313 7.642 0.671 25804
2087 1 18 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.661 -0.140 25804
2088 1 18 . 1 1 12 12 VAL CA C 12 57.736 57.736 59.881 -2.145 25804
2089 1 18 . 1 1 12 12 VAL CB C 12 34.704 34.704 34.733 -0.029 25804
2090 1 18 . 1 1 12 12 VAL H H 12 8.218 8.218 8.273 -0.055 25804
2091 1 18 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.496 -0.377 25804
2092 1 18 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.537 -0.135 25804
2093 1 18 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.921 -0.179 25804
2094 1 18 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.298 -0.181 25804
2095 1 18 . 1 1 14 14 ILE CA C 14 55.871 55.871 60.260 -4.389 25804
2096 1 18 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.883 2.446 25804
2097 1 18 . 1 1 14 14 ILE H H 14 7.703 7.703 7.609 0.094 25804
2098 1 18 . 1 1 16 16 GLY N N 16 106.027 106.027 109.892 -3.865 25804
2099 1 18 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.816 0.590 25804
2100 1 18 . 1 1 16 16 GLY H H 16 7.983 7.983 8.731 -0.748 25804
2101 1 18 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.761 -0.252 25804
2102 1 18 . 1 1 17 17 PHE CB C 17 39.503 39.503 42.465 -2.962 25804
2103 1 18 . 1 1 17 17 PHE H H 17 7.690 7.690 7.632 0.058 25804
2104 1 18 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.365 0.528 25804
2105 1 18 . 1 1 18 18 VAL CA C 18 58.728 58.728 62.160 -3.433 25804
2106 1 18 . 1 1 18 18 VAL CB C 18 35.994 35.994 34.414 1.580 25804
2107 1 18 . 1 1 18 18 VAL H H 18 7.549 7.549 7.849 -0.300 25804
2108 1 18 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.816 -0.397 25804
2109 1 18 . 1 1 19 19 TYR CB C 19 39.210 39.210 40.458 -1.248 25804
2110 1 18 . 1 1 19 19 TYR H H 19 7.528 7.528 8.666 -1.138 25804
2111 1 18 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.757 0.155 25804
2112 1 18 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.762 -2.717 25804
2113 1 18 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.459 9.070 25804
2114 1 18 . 1 1 20 20 CYS H H 20 8.399 8.399 8.456 -0.057 25804
2115 1 18 . 1 1 21 21 CYS N N 21 121.142 121.142 122.809 -1.667 25804
2116 1 18 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.606 0.022 25804
2117 1 18 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.425 -5.119 25804
2118 1 18 . 1 1 21 21 CYS CB C 21 37.726 37.726 27.031 10.695 25804
2119 1 18 . 1 1 21 21 CYS H H 21 9.291 9.291 8.946 0.345 25804
2120 1 18 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.225 -0.009 25804
2121 1 18 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.273 -0.031 25804
2122 1 18 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.782 -0.033 25804
2123 1 18 . 1 1 23 23 GLY N N 23 111.521 111.521 111.249 0.272 25804
2124 1 18 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.733 -0.115 25804
2125 1 18 . 1 1 23 23 GLY H H 23 8.603 8.603 8.521 0.082 25804
2126 1 18 . 1 1 24 24 LEU N N 24 119.440 119.440 121.489 -2.049 25804
2127 1 18 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.677 0.029 25804
2128 1 18 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.958 -1.266 25804
2129 1 18 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.612 0.773 25804
2130 1 18 . 1 1 24 24 LEU H H 24 7.774 7.774 7.425 0.349 25804
2131 1 18 . 1 1 25 25 ILE N N 25 114.487 114.487 115.164 -0.677 25804
2132 1 18 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.560 -0.122 25804
2133 1 18 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.529 1.807 25804
2134 1 18 . 1 1 25 25 ILE H H 25 8.265 8.265 8.713 -0.448 25804
2135 1 18 . 1 1 26 26 CYS N N 26 123.741 123.741 126.546 -2.805 25804
2136 1 18 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.799 -0.175 25804
2137 1 18 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.712 -2.798 25804
2138 1 18 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.543 14.235 25804
2139 1 18 . 1 1 26 26 CYS H H 26 8.668 8.668 8.901 -0.233 25804
2140 1 18 . 1 1 27 27 GLY N N 27 118.253 118.253 117.714 0.539 25804
2141 1 18 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.072 -3.060 25804
2142 1 18 . 1 1 27 27 GLY H H 27 8.330 8.330 8.627 -0.297 25804
2143 1 18 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.202 0.288 25804
2144 1 18 . 1 1 28 28 PRO CA C 28 62.587 62.587 63.872 -1.285 25804
2145 1 18 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.757 -3.889 25804
2146 1 18 . 1 1 29 29 PHE N N 29 110.773 110.773 112.275 -1.502 25804
2147 1 18 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.667 -1.024 25804
2148 1 18 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.590 -7.229 25804
2149 1 18 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.834 -3.285 25804
2150 1 18 . 1 1 29 29 PHE H H 29 8.257 8.257 7.757 0.500 25804
2151 1 18 . 1 1 30 30 VAL N N 30 108.125 108.125 112.815 -4.690 25804
2152 1 18 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.599 0.399 25804
2153 1 18 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.089 -0.870 25804
2154 1 18 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.084 2.562 25804
2155 1 18 . 1 1 30 30 VAL H H 30 6.842 6.842 7.477 -0.635 25804
2156 1 18 . 1 1 31 31 CYS N N 31 121.703 121.703 118.428 3.275 25804
2157 1 18 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.383 -0.452 25804
2158 1 18 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.764 -3.472 25804
2159 1 18 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.830 12.903 25804
2160 1 18 . 1 1 31 31 CYS H H 31 8.515 8.515 8.045 0.470 25804
2161 1 19 . 1 1 2 2 ASP N N 2 121.625 121.625 122.816 -1.191 25804
2162 1 19 . 1 1 2 2 ASP HA H 2 4.778 4.778 5.018 -0.240 25804
2163 1 19 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.346 -0.570 25804
2164 1 19 . 1 1 2 2 ASP CB C 2 37.967 37.967 42.019 -4.051 25804
2165 1 19 . 1 1 2 2 ASP H H 2 8.669 8.669 8.526 0.143 25804
2166 1 19 . 1 1 3 3 CYS N N 3 113.713 113.713 121.866 -8.153 25804
2167 1 19 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.344 0.446 25804
2168 1 19 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.134 -3.222 25804
2169 1 19 . 1 1 3 3 CYS CB C 3 43.345 43.345 28.907 14.438 25804
2170 1 19 . 1 1 3 3 CYS H H 3 7.661 7.661 8.502 -0.841 25804
2171 1 19 . 1 1 4 4 GLN N N 4 118.330 118.330 121.131 -2.801 25804
2172 1 19 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.481 -0.041 25804
2173 1 19 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.379 1.715 25804
2174 1 19 . 1 1 4 4 GLN H H 4 8.770 8.770 7.739 1.031 25804
2175 1 19 . 1 1 5 5 GLU N N 5 120.832 120.832 121.458 -0.626 25804
2176 1 19 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.027 0.016 25804
2177 1 19 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.063 -3.141 25804
2178 1 19 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.624 -1.297 25804
2179 1 19 . 1 1 5 5 GLU H H 5 7.629 7.629 8.766 -1.137 25804
2180 1 19 . 1 1 6 6 LYS N N 6 119.543 119.543 119.502 0.041 25804
2181 1 19 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.892 -0.741 25804
2182 1 19 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.737 0.278 25804
2183 1 19 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.191 0.197 25804
2184 1 19 . 1 1 6 6 LYS H H 6 7.670 7.670 8.551 -0.881 25804
2185 1 19 . 1 1 7 7 TRP N N 7 115.545 115.545 118.559 -3.014 25804
2186 1 19 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.681 -0.633 25804
2187 1 19 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.190 2.527 25804
2188 1 19 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.515 -1.220 25804
2189 1 19 . 1 1 7 7 TRP H H 7 8.913 8.913 8.052 0.862 25804
2190 1 19 . 1 1 8 8 GLU N N 8 115.184 115.184 119.186 -4.002 25804
2191 1 19 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.159 0.254 25804
2192 1 19 . 1 1 8 8 GLU CB C 8 29.536 29.536 29.709 -0.173 25804
2193 1 19 . 1 1 8 8 GLU H H 8 7.779 7.779 7.683 0.096 25804
2194 1 19 . 1 1 9 9 TYR N N 9 118.021 118.021 116.450 1.571 25804
2195 1 19 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.602 0.322 25804
2196 1 19 . 1 1 9 9 TYR CA C 9 59.058 59.058 58.926 0.132 25804
2197 1 19 . 1 1 9 9 TYR CB C 9 39.219 39.219 40.384 -1.165 25804
2198 1 19 . 1 1 9 9 TYR H H 9 7.863 7.863 8.260 -0.397 25804
2199 1 19 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.047 0.886 25804
2200 1 19 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.092 -4.271 25804
2201 1 19 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.037 14.532 25804
2202 1 19 . 1 1 10 10 CYS H H 10 8.273 8.273 8.471 -0.198 25804
2203 1 19 . 1 1 11 11 ILE N N 11 115.502 115.502 127.629 -12.127 25804
2204 1 19 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.539 -0.129 25804
2205 1 19 . 1 1 11 11 ILE CB C 11 42.112 42.112 41.737 0.375 25804
2206 1 19 . 1 1 11 11 ILE H H 11 8.313 8.313 8.063 0.250 25804
2207 1 19 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.918 -0.397 25804
2208 1 19 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.398 -0.661 25804
2209 1 19 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.553 2.151 25804
2210 1 19 . 1 1 12 12 VAL H H 12 8.218 8.218 8.631 -0.413 25804
2211 1 19 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.447 -0.328 25804
2212 1 19 . 1 1 13 13 PRO CA C 13 64.402 64.402 64.426 -0.024 25804
2213 1 19 . 1 1 13 13 PRO CB C 13 31.742 31.742 32.227 -0.485 25804
2214 1 19 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.336 -0.219 25804
2215 1 19 . 1 1 14 14 ILE CA C 14 55.871 55.871 58.942 -3.071 25804
2216 1 19 . 1 1 14 14 ILE CB C 14 42.329 42.329 39.740 2.589 25804
2217 1 19 . 1 1 14 14 ILE H H 14 7.703 7.703 7.664 0.039 25804
2218 1 19 . 1 1 16 16 GLY N N 16 106.027 106.027 112.678 -6.651 25804
2219 1 19 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.938 0.468 25804
2220 1 19 . 1 1 16 16 GLY H H 16 7.983 7.983 8.782 -0.799 25804
2221 1 19 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.912 -0.403 25804
2222 1 19 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.341 -1.838 25804
2223 1 19 . 1 1 17 17 PHE H H 17 7.690 7.690 8.136 -0.446 25804
2224 1 19 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.434 0.459 25804
2225 1 19 . 1 1 18 18 VAL CA C 18 58.728 58.728 59.734 -1.006 25804
2226 1 19 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.262 2.732 25804
2227 1 19 . 1 1 18 18 VAL H H 18 7.549 7.549 7.852 -0.303 25804
2228 1 19 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.487 -0.068 25804
2229 1 19 . 1 1 19 19 TYR CB C 19 39.210 39.210 38.417 0.793 25804
2230 1 19 . 1 1 19 19 TYR H H 19 7.528 7.528 8.769 -1.241 25804
2231 1 19 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.274 0.638 25804
2232 1 19 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.716 -2.671 25804
2233 1 19 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.517 9.012 25804
2234 1 19 . 1 1 20 20 CYS H H 20 8.399 8.399 7.786 0.613 25804
2235 1 19 . 1 1 21 21 CYS N N 21 121.142 121.142 122.366 -1.224 25804
2236 1 19 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.422 0.206 25804
2237 1 19 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.629 -5.323 25804
2238 1 19 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.794 10.932 25804
2239 1 19 . 1 1 21 21 CYS H H 21 9.291 9.291 8.705 0.586 25804
2240 1 19 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.298 -0.082 25804
2241 1 19 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.270 -0.028 25804
2242 1 19 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.784 -0.035 25804
2243 1 19 . 1 1 23 23 GLY N N 23 111.521 111.521 109.992 1.529 25804
2244 1 19 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.694 -0.076 25804
2245 1 19 . 1 1 23 23 GLY H H 23 8.603 8.603 8.495 0.108 25804
2246 1 19 . 1 1 24 24 LEU N N 24 119.440 119.440 121.021 -1.581 25804
2247 1 19 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.799 -0.093 25804
2248 1 19 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.726 -1.034 25804
2249 1 19 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.268 0.117 25804
2250 1 19 . 1 1 24 24 LEU H H 24 7.774 7.774 7.281 0.493 25804
2251 1 19 . 1 1 25 25 ILE N N 25 114.487 114.487 114.854 -0.367 25804
2252 1 19 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.527 -0.089 25804
2253 1 19 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.372 1.964 25804
2254 1 19 . 1 1 25 25 ILE H H 25 8.265 8.265 8.532 -0.267 25804
2255 1 19 . 1 1 26 26 CYS N N 26 123.741 123.741 124.984 -1.243 25804
2256 1 19 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.867 -0.243 25804
2257 1 19 . 1 1 26 26 CYS CA C 26 55.914 55.914 57.924 -2.010 25804
2258 1 19 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.551 14.227 25804
2259 1 19 . 1 1 26 26 CYS H H 26 8.668 8.668 8.614 0.054 25804
2260 1 19 . 1 1 27 27 GLY N N 27 118.253 118.253 115.277 2.976 25804
2261 1 19 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.631 -2.619 25804
2262 1 19 . 1 1 27 27 GLY H H 27 8.330 8.330 8.485 -0.155 25804
2263 1 19 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.376 0.114 25804
2264 1 19 . 1 1 28 28 PRO CA C 28 62.587 62.587 65.295 -2.708 25804
2265 1 19 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.886 -4.018 25804
2266 1 19 . 1 1 29 29 PHE N N 29 110.773 110.773 114.430 -3.657 25804
2267 1 19 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.598 -0.955 25804
2268 1 19 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.948 -7.587 25804
2269 1 19 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.282 -2.733 25804
2270 1 19 . 1 1 29 29 PHE H H 29 8.257 8.257 7.899 0.358 25804
2271 1 19 . 1 1 30 30 VAL N N 30 108.125 108.125 114.087 -5.962 25804
2272 1 19 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.407 0.591 25804
2273 1 19 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.989 -1.770 25804
2274 1 19 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.796 1.850 25804
2275 1 19 . 1 1 30 30 VAL H H 30 6.842 6.842 7.625 -0.783 25804
2276 1 19 . 1 1 31 31 CYS N N 31 121.703 121.703 117.736 3.967 25804
2277 1 19 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.132 -0.201 25804
2278 1 19 . 1 1 31 31 CYS CA C 31 55.292 55.292 59.992 -4.700 25804
2279 1 19 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.360 13.373 25804
2280 1 19 . 1 1 31 31 CYS H H 31 8.515 8.515 8.056 0.459 25804
2281 1 20 . 1 1 2 2 ASP N N 2 121.625 121.625 122.087 -0.462 25804
2282 1 20 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.829 -0.051 25804
2283 1 20 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.801 -1.026 25804
2284 1 20 . 1 1 2 2 ASP CB C 2 37.967 37.967 41.141 -3.174 25804
2285 1 20 . 1 1 2 2 ASP H H 2 8.669 8.669 8.417 0.252 25804
2286 1 20 . 1 1 3 3 CYS N N 3 113.713 113.713 120.598 -6.885 25804
2287 1 20 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.903 -0.113 25804
2288 1 20 . 1 1 3 3 CYS CA C 3 53.912 53.912 57.239 -3.327 25804
2289 1 20 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.799 12.546 25804
2290 1 20 . 1 1 3 3 CYS H H 3 7.661 7.661 8.475 -0.814 25804
2291 1 20 . 1 1 4 4 GLN N N 4 118.330 118.330 119.820 -1.490 25804
2292 1 20 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.580 -0.140 25804
2293 1 20 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.723 1.371 25804
2294 1 20 . 1 1 4 4 GLN H H 4 8.770 8.770 8.161 0.609 25804
2295 1 20 . 1 1 5 5 GLU N N 5 120.832 120.832 121.580 -0.748 25804
2296 1 20 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.098 -0.055 25804
2297 1 20 . 1 1 5 5 GLU CA C 5 53.922 53.922 57.030 -3.108 25804
2298 1 20 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.750 -1.423 25804
2299 1 20 . 1 1 5 5 GLU H H 5 7.629 7.629 8.776 -1.147 25804
2300 1 20 . 1 1 6 6 LYS N N 6 119.543 119.543 119.149 0.394 25804
2301 1 20 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.955 -0.804 25804
2302 1 20 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.843 0.172 25804
2303 1 20 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.145 0.243 25804
2304 1 20 . 1 1 6 6 LYS H H 6 7.670 7.670 8.572 -0.902 25804
2305 1 20 . 1 1 7 7 TRP N N 7 115.545 115.545 117.970 -2.425 25804
2306 1 20 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.724 -0.676 25804
2307 1 20 . 1 1 7 7 TRP CA C 7 58.717 58.717 55.898 2.819 25804
2308 1 20 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.894 -1.599 25804
2309 1 20 . 1 1 7 7 TRP H H 7 8.913 8.913 7.963 0.950 25804
2310 1 20 . 1 1 8 8 GLU N N 8 115.184 115.184 117.507 -2.323 25804
2311 1 20 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.233 0.180 25804
2312 1 20 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.420 -0.884 25804
2313 1 20 . 1 1 8 8 GLU H H 8 7.779 7.779 7.200 0.579 25804
2314 1 20 . 1 1 9 9 TYR N N 9 118.021 118.021 118.854 -0.833 25804
2315 1 20 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.464 0.460 25804
2316 1 20 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.384 -1.326 25804
2317 1 20 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.529 0.690 25804
2318 1 20 . 1 1 9 9 TYR H H 9 7.863 7.863 8.480 -0.617 25804
2319 1 20 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.185 0.748 25804
2320 1 20 . 1 1 10 10 CYS CA C 10 54.821 54.821 58.426 -3.605 25804
2321 1 20 . 1 1 10 10 CYS CB C 10 40.569 40.569 25.848 14.721 25804
2322 1 20 . 1 1 10 10 CYS H H 10 8.273 8.273 8.242 0.031 25804
2323 1 20 . 1 1 11 11 ILE N N 11 115.502 115.502 117.626 -2.124 25804
2324 1 20 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.317 0.093 25804
2325 1 20 . 1 1 11 11 ILE CB C 11 42.112 42.112 38.693 3.419 25804
2326 1 20 . 1 1 11 11 ILE H H 11 8.313 8.313 7.640 0.673 25804
2327 1 20 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.608 -0.087 25804
2328 1 20 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.719 -0.983 25804
2329 1 20 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.747 1.957 25804
2330 1 20 . 1 1 12 12 VAL H H 12 8.218 8.218 8.170 0.048 25804
2331 1 20 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.553 -0.434 25804
2332 1 20 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.693 0.709 25804
2333 1 20 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.784 -0.042 25804
2334 1 20 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.455 -0.338 25804
2335 1 20 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.597 -3.726 25804
2336 1 20 . 1 1 14 14 ILE CB C 14 42.329 42.329 40.031 2.298 25804
2337 1 20 . 1 1 14 14 ILE H H 14 7.703 7.703 7.373 0.330 25804
2338 1 20 . 1 1 16 16 GLY N N 16 106.027 106.027 111.246 -5.219 25804
2339 1 20 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.754 0.652 25804
2340 1 20 . 1 1 16 16 GLY H H 16 7.983 7.983 8.783 -0.800 25804
2341 1 20 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.700 -0.191 25804
2342 1 20 . 1 1 17 17 PHE CB C 17 39.503 39.503 41.405 -1.902 25804
2343 1 20 . 1 1 17 17 PHE H H 17 7.690 7.690 7.485 0.205 25804
2344 1 20 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.380 0.513 25804
2345 1 20 . 1 1 18 18 VAL CA C 18 58.728 58.728 61.493 -2.765 25804
2346 1 20 . 1 1 18 18 VAL CB C 18 35.994 35.994 32.994 3.000 25804
2347 1 20 . 1 1 18 18 VAL H H 18 7.549 7.549 8.187 -0.638 25804
2348 1 20 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.819 -0.400 25804
2349 1 20 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.842 -0.632 25804
2350 1 20 . 1 1 19 19 TYR H H 19 7.528 7.528 8.659 -1.131 25804
2351 1 20 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.769 0.143 25804
2352 1 20 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.942 -2.897 25804
2353 1 20 . 1 1 20 20 CYS CB C 20 40.529 40.529 31.499 9.030 25804
2354 1 20 . 1 1 20 20 CYS H H 20 8.399 8.399 8.301 0.098 25804
2355 1 20 . 1 1 21 21 CYS N N 21 121.142 121.142 122.733 -1.591 25804
2356 1 20 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.573 0.055 25804
2357 1 20 . 1 1 21 21 CYS CA C 21 53.306 53.306 58.737 -5.431 25804
2358 1 20 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.986 10.740 25804
2359 1 20 . 1 1 21 21 CYS H H 21 9.291 9.291 8.827 0.464 25804
2360 1 20 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.293 -0.077 25804
2361 1 20 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.135 0.107 25804
2362 1 20 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.686 0.063 25804
2363 1 20 . 1 1 23 23 GLY N N 23 111.521 111.521 110.938 0.583 25804
2364 1 20 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.826 -0.208 25804
2365 1 20 . 1 1 23 23 GLY H H 23 8.603 8.603 8.587 0.016 25804
2366 1 20 . 1 1 24 24 LEU N N 24 119.440 119.440 121.265 -1.825 25804
2367 1 20 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.928 -0.222 25804
2368 1 20 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.630 -0.938 25804
2369 1 20 . 1 1 24 24 LEU CB C 24 44.385 44.385 43.873 0.512 25804
2370 1 20 . 1 1 24 24 LEU H H 24 7.774 7.774 7.272 0.502 25804
2371 1 20 . 1 1 25 25 ILE N N 25 114.487 114.487 114.961 -0.474 25804
2372 1 20 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.557 -0.119 25804
2373 1 20 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.156 2.180 25804
2374 1 20 . 1 1 25 25 ILE H H 25 8.265 8.265 8.596 -0.331 25804
2375 1 20 . 1 1 26 26 CYS N N 26 123.741 123.741 127.126 -3.385 25804
2376 1 20 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.893 -0.269 25804
2377 1 20 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.533 -2.619 25804
2378 1 20 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.355 14.423 25804
2379 1 20 . 1 1 26 26 CYS H H 26 8.668 8.668 9.014 -0.346 25804
2380 1 20 . 1 1 27 27 GLY N N 27 118.253 118.253 116.902 1.351 25804
2381 1 20 . 1 1 27 27 GLY CA C 27 43.012 43.012 46.175 -3.163 25804
2382 1 20 . 1 1 27 27 GLY H H 27 8.330 8.330 8.284 0.046 25804
2383 1 20 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.388 0.102 25804
2384 1 20 . 1 1 28 28 PRO CA C 28 62.587 62.587 64.969 -2.382 25804
2385 1 20 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.876 -4.008 25804
2386 1 20 . 1 1 29 29 PHE N N 29 110.773 110.773 115.674 -4.901 25804
2387 1 20 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.739 -1.096 25804
2388 1 20 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.597 -7.236 25804
2389 1 20 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.608 -3.059 25804
2390 1 20 . 1 1 29 29 PHE H H 29 8.257 8.257 8.152 0.105 25804
2391 1 20 . 1 1 30 30 VAL N N 30 108.125 108.125 112.362 -4.237 25804
2392 1 20 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.498 0.500 25804
2393 1 20 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.963 -1.744 25804
2394 1 20 . 1 1 30 30 VAL CB C 30 36.646 36.646 35.147 1.500 25804
2395 1 20 . 1 1 30 30 VAL H H 30 6.842 6.842 7.582 -0.740 25804
2396 1 20 . 1 1 31 31 CYS N N 31 121.703 121.703 117.767 3.936 25804
2397 1 20 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.292 -0.361 25804
2398 1 20 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.500 -3.208 25804
2399 1 20 . 1 1 31 31 CYS CB C 31 40.733 40.733 28.485 12.248 25804
2400 1 20 . 1 1 31 31 CYS H H 31 8.515 8.515 8.131 0.384 25804
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 19 3.523 1.434 3.306 25804
2 1 1 "Average Difference" HA 32 0.479 0.006 0.487 25804
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25804
4 1 1 "Average Difference" CA 23 3.006 2.032 2.265 25804
5 1 1 "Average Difference" CB 26 6.617 -3.320 5.837 25804
6 1 1 "Average Difference" HN 26 0.506 0.107 0.504 25804
7 1 2 "Average Difference" N 19 3.328 1.780 2.890 25804
8 1 2 "Average Difference" HA 32 0.404 0.028 0.410 25804
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25804
10 1 2 "Average Difference" CA 23 3.059 2.045 2.327 25804
11 1 2 "Average Difference" CB 26 6.572 -2.935 5.996 25804
12 1 2 "Average Difference" HN 26 0.553 0.078 0.559 25804
13 1 3 "Average Difference" N 19 3.936 2.160 3.381 25804
14 1 3 "Average Difference" HA 32 0.409 0.050 0.412 25804
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25804
16 1 3 "Average Difference" CA 23 2.933 1.893 2.291 25804
17 1 3 "Average Difference" CB 26 6.250 -2.654 5.771 25804
18 1 3 "Average Difference" HN 26 0.588 0.025 0.599 25804
19 1 4 "Average Difference" N 19 3.341 1.991 2.756 25804
20 1 4 "Average Difference" HA 32 0.463 0.030 0.470 25804
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25804
22 1 4 "Average Difference" CA 23 3.107 2.059 2.380 25804
23 1 4 "Average Difference" CB 26 6.445 -3.132 5.745 25804
24 1 4 "Average Difference" HN 26 0.612 0.023 0.624 25804
25 1 5 "Average Difference" N 19 2.737 1.411 2.409 25804
26 1 5 "Average Difference" HA 32 0.456 0.076 0.457 25804
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25804
28 1 5 "Average Difference" CA 23 3.073 1.967 2.414 25804
29 1 5 "Average Difference" CB 26 6.478 -2.941 5.886 25804
30 1 5 "Average Difference" HN 26 0.557 0.109 0.557 25804
31 1 6 "Average Difference" N 19 3.402 1.675 3.042 25804
32 1 6 "Average Difference" HA 32 0.430 0.069 0.431 25804
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25804
34 1 6 "Average Difference" CA 23 3.018 2.055 2.259 25804
35 1 6 "Average Difference" CB 26 6.665 -2.980 6.080 25804
36 1 6 "Average Difference" HN 26 0.575 0.057 0.584 25804
37 1 7 "Average Difference" N 19 3.285 1.934 2.728 25804
38 1 7 "Average Difference" HA 32 0.415 0.049 0.418 25804
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25804
40 1 7 "Average Difference" CA 23 2.979 1.882 2.361 25804
41 1 7 "Average Difference" CB 26 6.467 -2.954 5.866 25804
42 1 7 "Average Difference" HN 26 0.609 0.046 0.619 25804
43 1 8 "Average Difference" N 19 2.762 1.345 2.479 25804
44 1 8 "Average Difference" HA 32 0.481 0.073 0.483 25804
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25804
46 1 8 "Average Difference" CA 23 3.063 2.077 2.302 25804
47 1 8 "Average Difference" CB 26 6.467 -2.774 5.958 25804
48 1 8 "Average Difference" HN 26 0.601 0.091 0.606 25804
49 1 9 "Average Difference" N 19 3.568 2.189 2.895 25804
50 1 9 "Average Difference" HA 32 0.426 0.052 0.430 25804
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25804
52 1 9 "Average Difference" CA 23 2.785 1.916 2.067 25804
53 1 9 "Average Difference" CB 26 6.264 -2.734 5.748 25804
54 1 9 "Average Difference" HN 26 0.631 0.096 0.636 25804
55 1 10 "Average Difference" N 19 4.503 2.515 3.838 25804
56 1 10 "Average Difference" HA 32 0.433 0.058 0.436 25804
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25804
58 1 10 "Average Difference" CA 23 2.892 1.856 2.269 25804
59 1 10 "Average Difference" CB 26 6.080 -2.732 5.539 25804
60 1 10 "Average Difference" HN 26 0.590 0.057 0.598 25804
61 1 11 "Average Difference" N 19 3.304 1.828 2.828 25804
62 1 11 "Average Difference" HA 32 0.439 0.036 0.444 25804
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25804
64 1 11 "Average Difference" CA 23 3.070 2.015 2.368 25804
65 1 11 "Average Difference" CB 26 6.667 -3.065 6.038 25804
66 1 11 "Average Difference" HN 26 0.574 0.097 0.577 25804
67 1 12 "Average Difference" N 19 4.011 2.455 3.258 25804
68 1 12 "Average Difference" HA 32 0.396 0.068 0.396 25804
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25804
70 1 12 "Average Difference" CA 23 3.037 2.152 2.190 25804
71 1 12 "Average Difference" CB 26 6.058 -2.679 5.541 25804
72 1 12 "Average Difference" HN 26 0.592 0.157 0.582 25804
73 1 13 "Average Difference" N 19 3.399 1.566 3.099 25804
74 1 13 "Average Difference" HA 32 0.473 0.043 0.478 25804
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25804
76 1 13 "Average Difference" CA 23 2.966 1.926 2.306 25804
77 1 13 "Average Difference" CB 26 6.553 -3.034 5.923 25804
78 1 13 "Average Difference" HN 26 0.571 0.107 0.572 25804
79 1 14 "Average Difference" N 19 3.581 1.764 3.201 25804
80 1 14 "Average Difference" HA 32 0.462 0.063 0.465 25804
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25804
82 1 14 "Average Difference" CA 23 3.121 2.051 2.404 25804
83 1 14 "Average Difference" CB 26 6.483 -2.889 5.919 25804
84 1 14 "Average Difference" HN 26 0.628 0.089 0.634 25804
85 1 15 "Average Difference" N 19 3.149 1.411 2.893 25804
86 1 15 "Average Difference" HA 32 0.414 0.050 0.418 25804
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25804
88 1 15 "Average Difference" CA 23 3.046 2.152 2.204 25804
89 1 15 "Average Difference" CB 26 6.697 -3.095 6.057 25804
90 1 15 "Average Difference" HN 26 0.613 0.075 0.620 25804
91 1 16 "Average Difference" N 19 3.382 1.974 2.821 25804
92 1 16 "Average Difference" HA 32 0.410 0.061 0.412 25804
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25804
94 1 16 "Average Difference" CA 23 2.997 1.973 2.307 25804
95 1 16 "Average Difference" CB 26 6.401 -3.010 5.760 25804
96 1 16 "Average Difference" HN 26 0.552 0.029 0.562 25804
97 1 17 "Average Difference" N 19 4.280 2.229 3.754 25804
98 1 17 "Average Difference" HA 32 0.416 0.068 0.417 25804
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25804
100 1 17 "Average Difference" CA 23 2.939 1.965 2.234 25804
101 1 17 "Average Difference" CB 26 6.391 -3.013 5.748 25804
102 1 17 "Average Difference" HN 26 0.559 0.098 0.562 25804
103 1 18 "Average Difference" N 19 2.411 1.485 1.952 25804
104 1 18 "Average Difference" HA 32 0.408 0.061 0.409 25804
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25804
106 1 18 "Average Difference" CA 23 2.998 2.086 2.202 25804
107 1 18 "Average Difference" CB 26 6.340 -2.762 5.820 25804
108 1 18 "Average Difference" HN 26 0.584 0.095 0.588 25804
109 1 19 "Average Difference" N 19 4.452 2.238 3.954 25804
110 1 19 "Average Difference" HA 32 0.421 0.024 0.427 25804
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25804
112 1 19 "Average Difference" CA 23 2.904 1.873 2.269 25804
113 1 19 "Average Difference" CB 26 6.444 -2.846 5.896 25804
114 1 19 "Average Difference" HN 26 0.606 0.107 0.608 25804
115 1 20 "Average Difference" N 19 3.004 1.719 2.531 25804
116 1 20 "Average Difference" HA 32 0.414 0.074 0.414 25804
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25804
118 1 20 "Average Difference" CA 23 2.912 1.967 2.195 25804
119 1 20 "Average Difference" CB 26 6.243 -2.855 5.662 25804
120 1 20 "Average Difference" HN 26 0.595 0.084 0.600 25804
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 25804
_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 ASP N N 2 121.625 121.625 123.352 -1.727 25804
2 1 . 1 1 2 2 ASP HA H 2 4.778 4.778 4.843 -0.065 25804
3 1 . 1 1 2 2 ASP CA C 2 52.775 52.775 53.956 -1.181 25804
4 1 . 1 1 2 2 ASP CB C 2 37.967 37.967 40.970 -3.003 25804
5 1 . 1 1 2 2 ASP H H 2 8.669 8.669 8.531 0.138 25804
6 1 . 1 1 3 3 CYS N N 3 113.713 113.713 118.886 -5.173 25804
7 1 . 1 1 3 3 CYS HA H 3 4.790 4.790 4.904 -0.114 25804
8 1 . 1 1 3 3 CYS CA C 3 53.912 53.912 56.867 -2.955 25804
9 1 . 1 1 3 3 CYS CB C 3 43.345 43.345 30.657 12.688 25804
10 1 . 1 1 3 3 CYS H H 3 7.661 7.661 8.229 -0.568 25804
11 1 . 1 1 4 4 GLN N N 4 118.330 118.330 119.396 -1.066 25804
12 1 . 1 1 4 4 GLN HA H 4 4.440 4.440 4.622 -0.182 25804
13 1 . 1 1 4 4 GLN CB C 4 32.094 32.094 30.955 1.139 25804
14 1 . 1 1 4 4 GLN H H 4 8.770 8.770 8.271 0.499 25804
15 1 . 1 1 5 5 GLU N N 5 120.832 120.832 121.529 -0.697 25804
16 1 . 1 1 5 5 GLU HA H 5 4.043 4.043 4.124 -0.081 25804
17 1 . 1 1 5 5 GLU CA C 5 53.922 53.922 56.931 -3.009 25804
18 1 . 1 1 5 5 GLU CB C 5 29.327 29.327 30.618 -1.291 25804
19 1 . 1 1 5 5 GLU H H 5 7.629 7.629 8.799 -1.170 25804
20 1 . 1 1 6 6 LYS N N 6 119.543 119.543 119.581 -0.038 25804
21 1 . 1 1 6 6 LYS HA H 6 3.151 3.151 3.972 -0.821 25804
22 1 . 1 1 6 6 LYS CA C 6 59.015 59.015 58.918 0.097 25804
23 1 . 1 1 6 6 LYS CB C 6 32.388 32.388 32.158 0.230 25804
24 1 . 1 1 6 6 LYS H H 6 7.670 7.670 8.604 -0.934 25804
25 1 . 1 1 7 7 TRP N N 7 115.545 115.545 118.230 -2.685 25804
26 1 . 1 1 7 7 TRP HA H 7 4.048 4.048 4.708 -0.660 25804
27 1 . 1 1 7 7 TRP CA C 7 58.717 58.717 56.229 2.488 25804
28 1 . 1 1 7 7 TRP CB C 7 27.295 27.295 28.724 -1.429 25804
29 1 . 1 1 7 7 TRP H H 7 8.913 8.913 7.965 0.948 25804
30 1 . 1 1 8 8 GLU N N 8 115.184 115.184 117.992 -2.808 25804
31 1 . 1 1 8 8 GLU HA H 8 4.413 4.413 4.248 0.165 25804
32 1 . 1 1 8 8 GLU CB C 8 29.536 29.536 30.359 -0.823 25804
33 1 . 1 1 8 8 GLU H H 8 7.779 7.779 7.351 0.428 25804
34 1 . 1 1 9 9 TYR N N 9 118.021 118.021 118.347 -0.326 25804
35 1 . 1 1 9 9 TYR HA H 9 4.924 4.924 4.467 0.457 25804
36 1 . 1 1 9 9 TYR CA C 9 59.058 59.058 60.311 -1.253 25804
37 1 . 1 1 9 9 TYR CB C 9 39.219 39.219 38.820 0.399 25804
38 1 . 1 1 9 9 TYR H H 9 7.863 7.863 8.474 -0.611 25804
39 1 . 1 1 10 10 CYS HA H 10 4.933 4.933 4.112 0.821 25804
40 1 . 1 1 10 10 CYS CA C 10 54.821 54.821 59.502 -4.681 25804
41 1 . 1 1 10 10 CYS CB C 10 40.569 40.569 26.157 14.412 25804
42 1 . 1 1 10 10 CYS H H 10 8.273 8.273 8.186 0.087 25804
43 1 . 1 1 11 11 ILE N N 11 115.502 115.502 121.835 -6.333 25804
44 1 . 1 1 11 11 ILE HA H 11 4.410 4.410 4.316 0.094 25804
45 1 . 1 1 11 11 ILE CB C 11 42.112 42.112 39.777 2.335 25804
46 1 . 1 1 11 11 ILE H H 11 8.313 8.313 7.806 0.507 25804
47 1 . 1 1 12 12 VAL HA H 12 4.521 4.521 4.591 -0.070 25804
48 1 . 1 1 12 12 VAL CA C 12 57.736 57.736 58.947 -1.211 25804
49 1 . 1 1 12 12 VAL CB C 12 34.704 34.704 32.786 1.918 25804
50 1 . 1 1 12 12 VAL H H 12 8.218 8.218 8.229 -0.011 25804
51 1 . 1 1 13 13 PRO HA H 13 4.119 4.119 4.397 -0.278 25804
52 1 . 1 1 13 13 PRO CA C 13 64.402 64.402 63.984 0.418 25804
53 1 . 1 1 13 13 PRO CB C 13 31.742 31.742 31.650 0.092 25804
54 1 . 1 1 14 14 ILE HA H 14 4.117 4.117 4.353 -0.236 25804
55 1 . 1 1 14 14 ILE CA C 14 55.871 55.871 59.486 -3.615 25804
56 1 . 1 1 14 14 ILE CB C 14 42.329 42.329 40.554 1.775 25804
57 1 . 1 1 14 14 ILE H H 14 7.703 7.703 7.511 0.192 25804
58 1 . 1 1 16 16 GLY N N 16 106.027 106.027 111.150 -5.123 25804
59 1 . 1 1 16 16 GLY CA C 16 45.406 45.406 44.871 0.535 25804
60 1 . 1 1 16 16 GLY H H 16 7.983 7.983 8.688 -0.705 25804
61 1 . 1 1 17 17 PHE HA H 17 4.509 4.509 4.730 -0.221 25804
62 1 . 1 1 17 17 PHE CB C 17 39.503 39.503 40.926 -1.423 25804
63 1 . 1 1 17 17 PHE H H 17 7.690 7.690 7.668 0.022 25804
64 1 . 1 1 18 18 VAL HA H 18 4.893 4.893 4.315 0.578 25804
65 1 . 1 1 18 18 VAL CA C 18 58.728 58.728 60.665 -1.937 25804
66 1 . 1 1 18 18 VAL CB C 18 35.994 35.994 33.590 2.404 25804
67 1 . 1 1 18 18 VAL H H 18 7.549 7.549 8.009 -0.460 25804
68 1 . 1 1 19 19 TYR HA H 19 4.419 4.419 4.806 -0.387 25804
69 1 . 1 1 19 19 TYR CB C 19 39.210 39.210 39.665 -0.455 25804
70 1 . 1 1 19 19 TYR H H 19 7.528 7.528 8.366 -0.839 25804
71 1 . 1 1 20 20 CYS HA H 20 4.912 4.912 4.684 0.228 25804
72 1 . 1 1 20 20 CYS CA C 20 55.045 55.045 57.633 -2.588 25804
73 1 . 1 1 20 20 CYS CB C 20 40.529 40.529 28.946 11.582 25804
74 1 . 1 1 20 20 CYS H H 20 8.399 8.399 8.285 0.114 25804
75 1 . 1 1 21 21 CYS N N 21 121.142 121.142 123.233 -2.091 25804
76 1 . 1 1 21 21 CYS HA H 21 4.628 4.628 4.456 0.172 25804
77 1 . 1 1 21 21 CYS CA C 21 53.306 53.306 59.136 -5.830 25804
78 1 . 1 1 21 21 CYS CB C 21 37.726 37.726 26.542 11.184 25804
79 1 . 1 1 21 21 CYS H H 21 9.291 9.291 8.758 0.533 25804
80 1 . 1 1 22 22 PRO HA H 22 4.216 4.216 4.302 -0.086 25804
81 1 . 1 1 22 22 PRO CA C 22 64.242 64.242 64.269 -0.028 25804
82 1 . 1 1 22 22 PRO CB C 22 31.749 31.749 31.847 -0.098 25804
83 1 . 1 1 23 23 GLY N N 23 111.521 111.521 109.999 1.522 25804
84 1 . 1 1 23 23 GLY CA C 23 44.618 44.618 44.772 -0.154 25804
85 1 . 1 1 23 23 GLY H H 23 8.603 8.603 8.524 0.079 25804
86 1 . 1 1 24 24 LEU N N 24 119.440 119.440 120.912 -1.472 25804
87 1 . 1 1 24 24 LEU HA H 24 4.706 4.706 4.772 -0.066 25804
88 1 . 1 1 24 24 LEU CA C 24 52.692 52.692 53.687 -0.995 25804
89 1 . 1 1 24 24 LEU CB C 24 44.385 44.385 44.043 0.342 25804
90 1 . 1 1 24 24 LEU H H 24 7.774 7.774 7.336 0.438 25804
91 1 . 1 1 25 25 ILE N N 25 114.487 114.487 115.889 -1.402 25804
92 1 . 1 1 25 25 ILE HA H 25 4.438 4.438 4.566 -0.128 25804
93 1 . 1 1 25 25 ILE CB C 25 42.336 42.336 40.592 1.744 25804
94 1 . 1 1 25 25 ILE H H 25 8.265 8.265 8.685 -0.420 25804
95 1 . 1 1 26 26 CYS N N 26 123.741 123.741 126.300 -2.559 25804
96 1 . 1 1 26 26 CYS HA H 26 4.624 4.624 4.895 -0.271 25804
97 1 . 1 1 26 26 CYS CA C 26 55.914 55.914 58.449 -2.535 25804
98 1 . 1 1 26 26 CYS CB C 26 39.778 39.778 25.623 14.155 25804
99 1 . 1 1 26 26 CYS H H 26 8.668 8.668 8.855 -0.187 25804
100 1 . 1 1 27 27 GLY N N 27 118.253 118.253 116.145 2.108 25804
101 1 . 1 1 27 27 GLY CA C 27 43.012 43.012 45.837 -2.825 25804
102 1 . 1 1 27 27 GLY H H 27 8.330 8.330 8.520 -0.190 25804
103 1 . 1 1 28 28 PRO HA H 28 4.490 4.490 4.317 0.173 25804
104 1 . 1 1 28 28 PRO CA C 28 62.587 62.587 64.596 -2.009 25804
105 1 . 1 1 28 28 PRO CB C 28 27.868 27.868 31.879 -4.011 25804
106 1 . 1 1 29 29 PHE N N 29 110.773 110.773 113.842 -3.069 25804
107 1 . 1 1 29 29 PHE HA H 29 3.643 3.643 4.633 -0.990 25804
108 1 . 1 1 29 29 PHE CA C 29 50.361 50.361 57.904 -7.543 25804
109 1 . 1 1 29 29 PHE CB C 29 37.549 37.549 40.414 -2.865 25804
110 1 . 1 1 29 29 PHE H H 29 8.257 8.257 7.907 0.350 25804
111 1 . 1 1 30 30 VAL N N 30 108.125 108.125 114.186 -6.061 25804
112 1 . 1 1 30 30 VAL HA H 30 4.998 4.998 4.540 0.458 25804
113 1 . 1 1 30 30 VAL CA C 30 58.219 58.219 59.782 -1.563 25804
114 1 . 1 1 30 30 VAL CB C 30 36.646 36.646 34.529 2.117 25804
115 1 . 1 1 30 30 VAL H H 30 6.842 6.842 7.610 -0.768 25804
116 1 . 1 1 31 31 CYS N N 31 121.703 121.703 117.950 3.753 25804
117 1 . 1 1 31 31 CYS HA H 31 4.931 4.931 5.306 -0.375 25804
118 1 . 1 1 31 31 CYS CA C 31 55.292 55.292 58.851 -3.559 25804
119 1 . 1 1 31 31 CYS CB C 31 40.733 40.733 27.927 12.806 25804
120 1 . 1 1 31 31 CYS H H 31 8.515 8.515 8.098 0.417 25804
stop_
save_