data_19142
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19142
_Entry.PDB_ID 2M6J
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 19142
_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 LYS HA H 2 4.739 4.739 4.651 0.088 19142
2 1 1 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.306 -0.235 19142
3 1 1 . 1 1 2 2 LYS H H 2 8.713 8.713 8.216 0.497 19142
4 1 1 . 1 1 3 3 SER N N 3 119.185 119.185 118.362 0.823 19142
5 1 1 . 1 1 3 3 SER HA H 3 4.634 4.634 4.735 -0.101 19142
6 1 1 . 1 1 3 3 SER CB C 3 64.237 64.237 64.977 -0.740 19142
7 1 1 . 1 1 3 3 SER H H 3 8.714 8.714 8.388 0.326 19142
8 1 1 . 1 1 4 4 CYS N N 4 123.655 123.655 123.462 0.193 19142
9 1 1 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.465 -0.161 19142
10 1 1 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.675 10.370 19142
11 1 1 . 1 1 4 4 CYS H H 4 8.709 8.709 8.793 -0.084 19142
12 1 1 . 1 1 5 5 GLU N N 5 122.846 122.846 121.864 0.982 19142
13 1 1 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.673 -0.143 19142
14 1 1 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.761 -0.407 19142
15 1 1 . 1 1 5 5 GLU H H 5 8.754 8.754 9.434 -0.680 19142
16 1 1 . 1 1 6 6 THR N N 6 117.072 117.072 115.520 1.552 19142
17 1 1 . 1 1 6 6 THR HA H 6 4.837 4.837 5.029 -0.192 19142
18 1 1 . 1 1 6 6 THR CB C 6 69.935 69.935 70.261 -0.327 19142
19 1 1 . 1 1 6 6 THR H H 6 8.314 8.314 8.336 -0.022 19142
20 1 1 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.941 -0.143 19142
21 1 1 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.624 0.957 19142
22 1 1 . 1 1 7 7 PHE H H 7 9.018 9.018 7.512 1.506 19142
23 1 1 . 1 1 8 8 ILE N N 8 121.914 121.914 122.149 -0.235 19142
24 1 1 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.126 -0.432 19142
25 1 1 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.514 -0.531 19142
26 1 1 . 1 1 8 8 ILE H H 8 8.542 8.542 8.417 0.125 19142
27 1 1 . 1 1 9 9 VAL N N 9 125.551 125.551 124.857 0.694 19142
28 1 1 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.604 -0.049 19142
29 1 1 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.301 -0.179 19142
30 1 1 . 1 1 9 9 VAL H H 9 8.714 8.714 8.066 0.648 19142
31 1 1 . 1 1 10 10 ALA N N 10 126.210 126.210 123.305 2.905 19142
32 1 1 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.828 -0.182 19142
33 1 1 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.733 1.184 19142
34 1 1 . 1 1 10 10 ALA H H 10 8.405 8.405 8.539 -0.134 19142
35 1 1 . 1 1 11 11 CYS N N 11 120.017 120.017 122.443 -2.426 19142
36 1 1 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.358 0.572 19142
37 1 1 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.956 15.879 19142
38 1 1 . 1 1 11 11 CYS H H 11 8.599 8.599 8.456 0.143 19142
39 1 1 . 1 1 12 12 ASP N N 12 119.719 119.719 118.271 1.448 19142
40 1 1 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.803 -0.353 19142
41 1 1 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.559 1.287 19142
42 1 1 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.865 -1.089 19142
43 1 1 . 1 1 12 12 ASP H H 12 8.649 8.649 8.220 0.429 19142
44 1 1 . 1 1 13 13 GLY N N 13 107.940 107.940 107.791 0.149 19142
45 1 1 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.794 0.466 19142
46 1 1 . 1 1 13 13 GLY H H 13 8.546 8.546 7.507 1.039 19142
47 1 1 . 1 1 14 14 GLY N N 14 108.342 108.342 105.585 2.757 19142
48 1 1 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.980 0.500 19142
49 1 1 . 1 1 14 14 GLY H H 14 8.171 8.171 7.887 0.284 19142
50 1 1 . 1 1 15 15 LYS N N 15 120.019 120.019 119.653 0.366 19142
51 1 1 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.721 -0.343 19142
52 1 1 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.013 0.861 19142
53 1 1 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.119 -1.522 19142
54 1 1 . 1 1 15 15 LYS H H 15 7.709 7.709 7.869 -0.160 19142
55 1 1 . 1 1 16 16 ALA N N 16 123.520 123.520 123.599 -0.079 19142
56 1 1 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.550 0.096 19142
57 1 1 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.389 -0.084 19142
58 1 1 . 1 1 16 16 ALA H H 16 8.288 8.288 8.286 0.002 19142
59 1 1 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.678 0.192 19142
60 1 1 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.974 9.977 19142
61 1 1 . 1 1 17 17 CYS H H 17 8.916 8.916 8.369 0.547 19142
62 1 1 . 1 1 18 18 ARG N N 18 122.376 122.376 122.762 -0.386 19142
63 1 1 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.769 0.042 19142
64 1 1 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.605 2.040 19142
65 1 1 . 1 1 18 18 ARG H H 18 8.546 8.546 8.581 -0.035 19142
66 1 1 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.079 0.532 19142
67 1 1 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.903 1.668 19142
68 1 1 . 1 1 19 19 GLU H H 19 8.997 8.997 7.739 1.258 19142
69 1 1 . 1 1 20 20 VAL N N 20 123.513 123.513 124.599 -1.086 19142
70 1 1 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.038 0.644 19142
71 1 1 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.583 0.783 19142
72 1 1 . 1 1 20 20 VAL H H 20 8.581 8.581 8.300 0.281 19142
73 1 1 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.784 -0.062 19142
74 1 1 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.894 -0.960 19142
75 1 1 . 1 1 21 21 LYS H H 21 8.902 8.902 8.755 0.147 19142
76 1 1 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.503 -0.112 19142
77 1 1 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.067 9.603 19142
78 1 1 . 1 1 22 22 CYS H H 22 8.986 8.986 8.631 0.355 19142
79 1 1 . 1 1 23 23 LYS N N 23 122.935 122.935 122.172 0.763 19142
80 1 1 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.782 -0.207 19142
81 1 1 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.111 -0.329 19142
82 1 1 . 1 1 23 23 LYS H H 23 8.844 8.844 9.252 -0.408 19142
83 1 1 . 1 1 24 24 THR N N 24 117.783 117.783 115.423 2.360 19142
84 1 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.365 0.129 19142
85 1 1 . 1 1 24 24 THR CA C 24 62.443 62.443 61.483 0.960 19142
86 1 1 . 1 1 24 24 THR CB C 24 69.712 69.712 69.324 0.388 19142
87 1 1 . 1 1 24 24 THR H H 24 8.518 8.518 8.372 0.146 19142
88 1 2 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.631 0.108 19142
89 1 2 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.259 -0.188 19142
90 1 2 . 1 1 2 2 LYS H H 2 8.713 8.713 8.255 0.458 19142
91 1 2 . 1 1 3 3 SER N N 3 119.185 119.185 118.806 0.379 19142
92 1 2 . 1 1 3 3 SER HA H 3 4.634 4.634 4.791 -0.157 19142
93 1 2 . 1 1 3 3 SER CB C 3 64.237 64.237 64.479 -0.242 19142
94 1 2 . 1 1 3 3 SER H H 3 8.714 8.714 8.320 0.394 19142
95 1 2 . 1 1 4 4 CYS N N 4 123.655 123.655 125.737 -2.082 19142
96 1 2 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.547 -0.243 19142
97 1 2 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.128 10.917 19142
98 1 2 . 1 1 4 4 CYS H H 4 8.709 8.709 8.981 -0.272 19142
99 1 2 . 1 1 5 5 GLU N N 5 122.846 122.846 121.980 0.866 19142
100 1 2 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.629 -0.099 19142
101 1 2 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.514 -0.160 19142
102 1 2 . 1 1 5 5 GLU H H 5 8.754 8.754 9.304 -0.550 19142
103 1 2 . 1 1 6 6 THR N N 6 117.072 117.072 115.473 1.599 19142
104 1 2 . 1 1 6 6 THR HA H 6 4.837 4.837 4.995 -0.158 19142
105 1 2 . 1 1 6 6 THR CB C 6 69.935 69.935 70.493 -0.558 19142
106 1 2 . 1 1 6 6 THR H H 6 8.314 8.314 8.347 -0.033 19142
107 1 2 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.923 -0.125 19142
108 1 2 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.820 0.761 19142
109 1 2 . 1 1 7 7 PHE H H 7 9.018 9.018 7.547 1.471 19142
110 1 2 . 1 1 8 8 ILE N N 8 121.914 121.914 122.405 -0.491 19142
111 1 2 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.079 -0.385 19142
112 1 2 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.421 -0.438 19142
113 1 2 . 1 1 8 8 ILE H H 8 8.542 8.542 8.431 0.111 19142
114 1 2 . 1 1 9 9 VAL N N 9 125.551 125.551 124.789 0.762 19142
115 1 2 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.595 -0.040 19142
116 1 2 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.411 -0.289 19142
117 1 2 . 1 1 9 9 VAL H H 9 8.714 8.714 8.009 0.705 19142
118 1 2 . 1 1 10 10 ALA N N 10 126.210 126.210 123.153 3.057 19142
119 1 2 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.847 -0.201 19142
120 1 2 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.718 1.199 19142
121 1 2 . 1 1 10 10 ALA H H 10 8.405 8.405 8.507 -0.102 19142
122 1 2 . 1 1 11 11 CYS N N 11 120.017 120.017 121.807 -1.790 19142
123 1 2 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.335 0.595 19142
124 1 2 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.149 15.686 19142
125 1 2 . 1 1 11 11 CYS H H 11 8.599 8.599 8.488 0.111 19142
126 1 2 . 1 1 12 12 ASP N N 12 119.719 119.719 119.624 0.095 19142
127 1 2 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.781 -0.331 19142
128 1 2 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.745 1.101 19142
129 1 2 . 1 1 12 12 ASP CB C 12 39.776 39.776 39.917 -0.141 19142
130 1 2 . 1 1 12 12 ASP H H 12 8.649 8.649 8.039 0.610 19142
131 1 2 . 1 1 13 13 GLY N N 13 107.940 107.940 107.653 0.287 19142
132 1 2 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.442 0.818 19142
133 1 2 . 1 1 13 13 GLY H H 13 8.546 8.546 7.799 0.747 19142
134 1 2 . 1 1 14 14 GLY N N 14 108.342 108.342 105.866 2.476 19142
135 1 2 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.014 0.466 19142
136 1 2 . 1 1 14 14 GLY H H 14 8.171 8.171 8.191 -0.020 19142
137 1 2 . 1 1 15 15 LYS N N 15 120.019 120.019 120.344 -0.325 19142
138 1 2 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.269 0.109 19142
139 1 2 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.067 -0.193 19142
140 1 2 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.814 0.783 19142
141 1 2 . 1 1 15 15 LYS H H 15 7.709 7.709 7.921 -0.212 19142
142 1 2 . 1 1 16 16 ALA N N 16 123.520 123.520 122.192 1.328 19142
143 1 2 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.465 0.181 19142
144 1 2 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.621 -0.316 19142
145 1 2 . 1 1 16 16 ALA H H 16 8.288 8.288 8.189 0.099 19142
146 1 2 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.680 0.190 19142
147 1 2 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.961 9.990 19142
148 1 2 . 1 1 17 17 CYS H H 17 8.916 8.916 8.395 0.521 19142
149 1 2 . 1 1 18 18 ARG N N 18 122.376 122.376 122.581 -0.205 19142
150 1 2 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.785 0.026 19142
151 1 2 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.659 1.986 19142
152 1 2 . 1 1 18 18 ARG H H 18 8.546 8.546 8.568 -0.022 19142
153 1 2 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.045 0.566 19142
154 1 2 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.234 1.337 19142
155 1 2 . 1 1 19 19 GLU H H 19 8.997 8.997 7.692 1.305 19142
156 1 2 . 1 1 20 20 VAL N N 20 123.513 123.513 125.135 -1.622 19142
157 1 2 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.222 0.460 19142
158 1 2 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.824 0.542 19142
159 1 2 . 1 1 20 20 VAL H H 20 8.581 8.581 8.334 0.247 19142
160 1 2 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.788 -0.066 19142
161 1 2 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.861 -0.927 19142
162 1 2 . 1 1 21 21 LYS H H 21 8.902 8.902 8.896 0.006 19142
163 1 2 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.658 -0.267 19142
164 1 2 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.140 9.530 19142
165 1 2 . 1 1 22 22 CYS H H 22 8.986 8.986 8.762 0.224 19142
166 1 2 . 1 1 23 23 LYS N N 23 122.935 122.935 122.559 0.376 19142
167 1 2 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.758 -0.183 19142
168 1 2 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.245 -0.463 19142
169 1 2 . 1 1 23 23 LYS H H 23 8.844 8.844 9.335 -0.491 19142
170 1 2 . 1 1 24 24 THR N N 24 117.783 117.783 119.526 -1.743 19142
171 1 2 . 1 1 24 24 THR HA H 24 4.494 4.494 4.393 0.101 19142
172 1 2 . 1 1 24 24 THR CA C 24 62.443 62.443 62.861 -0.418 19142
173 1 2 . 1 1 24 24 THR CB C 24 69.712 69.712 69.150 0.562 19142
174 1 2 . 1 1 24 24 THR H H 24 8.518 8.518 8.469 0.049 19142
175 1 3 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.666 0.073 19142
176 1 3 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.737 -0.666 19142
177 1 3 . 1 1 2 2 LYS H H 2 8.713 8.713 8.240 0.473 19142
178 1 3 . 1 1 3 3 SER N N 3 119.185 119.185 119.020 0.165 19142
179 1 3 . 1 1 3 3 SER HA H 3 4.634 4.634 4.782 -0.148 19142
180 1 3 . 1 1 3 3 SER CB C 3 64.237 64.237 64.302 -0.065 19142
181 1 3 . 1 1 3 3 SER H H 3 8.714 8.714 8.351 0.363 19142
182 1 3 . 1 1 4 4 CYS N N 4 123.655 123.655 125.506 -1.851 19142
183 1 3 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.570 -0.266 19142
184 1 3 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.072 10.973 19142
185 1 3 . 1 1 4 4 CYS H H 4 8.709 8.709 8.961 -0.252 19142
186 1 3 . 1 1 5 5 GLU N N 5 122.846 122.846 122.539 0.307 19142
187 1 3 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.672 -0.142 19142
188 1 3 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.556 -0.202 19142
189 1 3 . 1 1 5 5 GLU H H 5 8.754 8.754 9.129 -0.375 19142
190 1 3 . 1 1 6 6 THR N N 6 117.072 117.072 115.254 1.818 19142
191 1 3 . 1 1 6 6 THR HA H 6 4.837 4.837 5.183 -0.346 19142
192 1 3 . 1 1 6 6 THR CB C 6 69.935 69.935 70.372 -0.437 19142
193 1 3 . 1 1 6 6 THR H H 6 8.314 8.314 8.333 -0.019 19142
194 1 3 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.013 -0.215 19142
195 1 3 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.960 0.621 19142
196 1 3 . 1 1 7 7 PHE H H 7 9.018 9.018 7.847 1.171 19142
197 1 3 . 1 1 8 8 ILE N N 8 121.914 121.914 122.540 -0.626 19142
198 1 3 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.154 -0.460 19142
199 1 3 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.334 -0.351 19142
200 1 3 . 1 1 8 8 ILE H H 8 8.542 8.542 8.437 0.105 19142
201 1 3 . 1 1 9 9 VAL N N 9 125.551 125.551 124.840 0.711 19142
202 1 3 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.594 -0.039 19142
203 1 3 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.399 -0.277 19142
204 1 3 . 1 1 9 9 VAL H H 9 8.714 8.714 8.054 0.660 19142
205 1 3 . 1 1 10 10 ALA N N 10 126.210 126.210 123.173 3.037 19142
206 1 3 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.894 -0.248 19142
207 1 3 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.745 1.172 19142
208 1 3 . 1 1 10 10 ALA H H 10 8.405 8.405 8.515 -0.110 19142
209 1 3 . 1 1 11 11 CYS N N 11 120.017 120.017 121.686 -1.669 19142
210 1 3 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142
211 1 3 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.172 15.663 19142
212 1 3 . 1 1 11 11 CYS H H 11 8.599 8.599 8.527 0.072 19142
213 1 3 . 1 1 12 12 ASP N N 12 119.719 119.719 119.519 0.200 19142
214 1 3 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.788 -0.338 19142
215 1 3 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.614 1.232 19142
216 1 3 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.243 -0.467 19142
217 1 3 . 1 1 12 12 ASP H H 12 8.649 8.649 8.040 0.609 19142
218 1 3 . 1 1 13 13 GLY N N 13 107.940 107.940 106.754 1.186 19142
219 1 3 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.422 0.838 19142
220 1 3 . 1 1 13 13 GLY H H 13 8.546 8.546 7.830 0.716 19142
221 1 3 . 1 1 14 14 GLY N N 14 108.342 108.342 106.240 2.102 19142
222 1 3 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.896 0.584 19142
223 1 3 . 1 1 14 14 GLY H H 14 8.171 8.171 8.244 -0.073 19142
224 1 3 . 1 1 15 15 LYS N N 15 120.019 120.019 120.201 -0.182 19142
225 1 3 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.262 0.116 19142
226 1 3 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.126 -0.252 19142
227 1 3 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.016 0.581 19142
228 1 3 . 1 1 15 15 LYS H H 15 7.709 7.709 7.865 -0.156 19142
229 1 3 . 1 1 16 16 ALA N N 16 123.520 123.520 122.059 1.461 19142
230 1 3 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.500 0.146 19142
231 1 3 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.613 -0.308 19142
232 1 3 . 1 1 16 16 ALA H H 16 8.288 8.288 8.182 0.106 19142
233 1 3 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.678 0.192 19142
234 1 3 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.098 9.853 19142
235 1 3 . 1 1 17 17 CYS H H 17 8.916 8.916 8.382 0.534 19142
236 1 3 . 1 1 18 18 ARG N N 18 122.376 122.376 122.093 0.283 19142
237 1 3 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.820 -0.009 19142
238 1 3 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.123 1.522 19142
239 1 3 . 1 1 18 18 ARG H H 18 8.546 8.546 8.521 0.025 19142
240 1 3 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.163 0.448 19142
241 1 3 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.716 0.855 19142
242 1 3 . 1 1 19 19 GLU H H 19 8.997 8.997 7.727 1.270 19142
243 1 3 . 1 1 20 20 VAL N N 20 123.513 123.513 122.237 1.276 19142
244 1 3 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.281 0.401 19142
245 1 3 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.280 0.086 19142
246 1 3 . 1 1 20 20 VAL H H 20 8.581 8.581 8.127 0.454 19142
247 1 3 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.752 -0.030 19142
248 1 3 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.353 -0.419 19142
249 1 3 . 1 1 21 21 LYS H H 21 8.902 8.902 8.447 0.455 19142
250 1 3 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.381 0.010 19142
251 1 3 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.663 10.007 19142
252 1 3 . 1 1 22 22 CYS H H 22 8.986 8.986 8.841 0.145 19142
253 1 3 . 1 1 23 23 LYS N N 23 122.935 122.935 124.631 -1.696 19142
254 1 3 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.789 -0.214 19142
255 1 3 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.584 -0.802 19142
256 1 3 . 1 1 23 23 LYS H H 23 8.844 8.844 9.121 -0.277 19142
257 1 3 . 1 1 24 24 THR N N 24 117.783 117.783 118.297 -0.514 19142
258 1 3 . 1 1 24 24 THR HA H 24 4.494 4.494 4.325 0.169 19142
259 1 3 . 1 1 24 24 THR CA C 24 62.443 62.443 62.416 0.027 19142
260 1 3 . 1 1 24 24 THR CB C 24 69.712 69.712 69.697 0.015 19142
261 1 3 . 1 1 24 24 THR H H 24 8.518 8.518 8.336 0.182 19142
262 1 4 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.641 0.098 19142
263 1 4 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.551 -0.480 19142
264 1 4 . 1 1 2 2 LYS H H 2 8.713 8.713 8.242 0.471 19142
265 1 4 . 1 1 3 3 SER N N 3 119.185 119.185 117.941 1.244 19142
266 1 4 . 1 1 3 3 SER HA H 3 4.634 4.634 4.789 -0.155 19142
267 1 4 . 1 1 3 3 SER CB C 3 64.237 64.237 64.421 -0.184 19142
268 1 4 . 1 1 3 3 SER H H 3 8.714 8.714 8.366 0.348 19142
269 1 4 . 1 1 4 4 CYS N N 4 123.655 123.655 125.472 -1.817 19142
270 1 4 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.535 -0.231 19142
271 1 4 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.222 10.823 19142
272 1 4 . 1 1 4 4 CYS H H 4 8.709 8.709 8.942 -0.233 19142
273 1 4 . 1 1 5 5 GLU N N 5 122.846 122.846 122.966 -0.120 19142
274 1 4 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.683 -0.153 19142
275 1 4 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.538 -0.184 19142
276 1 4 . 1 1 5 5 GLU H H 5 8.754 8.754 9.153 -0.399 19142
277 1 4 . 1 1 6 6 THR N N 6 117.072 117.072 115.673 1.399 19142
278 1 4 . 1 1 6 6 THR HA H 6 4.837 4.837 5.211 -0.374 19142
279 1 4 . 1 1 6 6 THR CB C 6 69.935 69.935 70.067 -0.132 19142
280 1 4 . 1 1 6 6 THR H H 6 8.314 8.314 8.340 -0.026 19142
281 1 4 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.971 -0.173 19142
282 1 4 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.670 0.911 19142
283 1 4 . 1 1 7 7 PHE H H 7 9.018 9.018 7.987 1.031 19142
284 1 4 . 1 1 8 8 ILE N N 8 121.914 121.914 122.216 -0.302 19142
285 1 4 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.147 -0.453 19142
286 1 4 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.029 -0.046 19142
287 1 4 . 1 1 8 8 ILE H H 8 8.542 8.542 8.417 0.125 19142
288 1 4 . 1 1 9 9 VAL N N 9 125.551 125.551 123.406 2.145 19142
289 1 4 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.666 -0.111 19142
290 1 4 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.920 -0.798 19142
291 1 4 . 1 1 9 9 VAL H H 9 8.714 8.714 8.007 0.707 19142
292 1 4 . 1 1 10 10 ALA N N 10 126.210 126.210 123.327 2.883 19142
293 1 4 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.939 -0.293 19142
294 1 4 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.622 1.296 19142
295 1 4 . 1 1 10 10 ALA H H 10 8.405 8.405 8.594 -0.189 19142
296 1 4 . 1 1 11 11 CYS N N 11 120.017 120.017 121.727 -1.710 19142
297 1 4 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142
298 1 4 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.139 15.696 19142
299 1 4 . 1 1 11 11 CYS H H 11 8.599 8.599 8.527 0.072 19142
300 1 4 . 1 1 12 12 ASP N N 12 119.719 119.719 119.584 0.135 19142
301 1 4 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.796 -0.346 19142
302 1 4 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.548 1.298 19142
303 1 4 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.124 -0.348 19142
304 1 4 . 1 1 12 12 ASP H H 12 8.649 8.649 8.001 0.648 19142
305 1 4 . 1 1 13 13 GLY N N 13 107.940 107.940 107.000 0.940 19142
306 1 4 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.457 0.803 19142
307 1 4 . 1 1 13 13 GLY H H 13 8.546 8.546 7.819 0.727 19142
308 1 4 . 1 1 14 14 GLY N N 14 108.342 108.342 105.858 2.484 19142
309 1 4 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.001 0.479 19142
310 1 4 . 1 1 14 14 GLY H H 14 8.171 8.171 8.191 -0.020 19142
311 1 4 . 1 1 15 15 LYS N N 15 120.019 120.019 120.297 -0.278 19142
312 1 4 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.264 0.114 19142
313 1 4 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.186 -0.312 19142
314 1 4 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.870 0.727 19142
315 1 4 . 1 1 15 15 LYS H H 15 7.709 7.709 7.916 -0.207 19142
316 1 4 . 1 1 16 16 ALA N N 16 123.520 123.520 122.364 1.156 19142
317 1 4 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.482 0.164 19142
318 1 4 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.463 -0.158 19142
319 1 4 . 1 1 16 16 ALA H H 16 8.288 8.288 8.212 0.076 19142
320 1 4 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.685 0.185 19142
321 1 4 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.954 9.997 19142
322 1 4 . 1 1 17 17 CYS H H 17 8.916 8.916 8.242 0.674 19142
323 1 4 . 1 1 18 18 ARG N N 18 122.376 122.376 122.186 0.190 19142
324 1 4 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.829 -0.018 19142
325 1 4 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.984 1.661 19142
326 1 4 . 1 1 18 18 ARG H H 18 8.546 8.546 8.515 0.031 19142
327 1 4 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.111 0.500 19142
328 1 4 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.580 0.991 19142
329 1 4 . 1 1 19 19 GLU H H 19 8.997 8.997 7.740 1.257 19142
330 1 4 . 1 1 20 20 VAL N N 20 123.513 123.513 122.277 1.236 19142
331 1 4 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.351 0.331 19142
332 1 4 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.235 0.131 19142
333 1 4 . 1 1 20 20 VAL H H 20 8.581 8.581 8.132 0.449 19142
334 1 4 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.751 -0.029 19142
335 1 4 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.330 -0.396 19142
336 1 4 . 1 1 21 21 LYS H H 21 8.902 8.902 8.688 0.214 19142
337 1 4 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.448 -0.057 19142
338 1 4 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.518 10.152 19142
339 1 4 . 1 1 22 22 CYS H H 22 8.986 8.986 8.567 0.419 19142
340 1 4 . 1 1 23 23 LYS N N 23 122.935 122.935 123.698 -0.763 19142
341 1 4 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.759 -0.184 19142
342 1 4 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.294 -0.512 19142
343 1 4 . 1 1 23 23 LYS H H 23 8.844 8.844 9.211 -0.367 19142
344 1 4 . 1 1 24 24 THR N N 24 117.783 117.783 117.165 0.618 19142
345 1 4 . 1 1 24 24 THR HA H 24 4.494 4.494 4.481 0.013 19142
346 1 4 . 1 1 24 24 THR CA C 24 62.443 62.443 62.158 0.285 19142
347 1 4 . 1 1 24 24 THR CB C 24 69.712 69.712 69.387 0.325 19142
348 1 4 . 1 1 24 24 THR H H 24 8.518 8.518 8.405 0.113 19142
349 1 5 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.602 0.137 19142
350 1 5 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.162 -0.091 19142
351 1 5 . 1 1 2 2 LYS H H 2 8.713 8.713 8.236 0.477 19142
352 1 5 . 1 1 3 3 SER N N 3 119.185 119.185 119.128 0.057 19142
353 1 5 . 1 1 3 3 SER HA H 3 4.634 4.634 4.758 -0.124 19142
354 1 5 . 1 1 3 3 SER CB C 3 64.237 64.237 64.058 0.179 19142
355 1 5 . 1 1 3 3 SER H H 3 8.714 8.714 8.346 0.368 19142
356 1 5 . 1 1 4 4 CYS N N 4 123.655 123.655 126.403 -2.748 19142
357 1 5 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.471 -0.167 19142
358 1 5 . 1 1 4 4 CYS CB C 4 42.045 42.045 30.799 11.245 19142
359 1 5 . 1 1 4 4 CYS H H 4 8.709 8.709 8.972 -0.263 19142
360 1 5 . 1 1 5 5 GLU N N 5 122.846 122.846 122.219 0.627 19142
361 1 5 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.635 -0.105 19142
362 1 5 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.540 -0.186 19142
363 1 5 . 1 1 5 5 GLU H H 5 8.754 8.754 9.191 -0.437 19142
364 1 5 . 1 1 6 6 THR N N 6 117.072 117.072 115.396 1.676 19142
365 1 5 . 1 1 6 6 THR HA H 6 4.837 4.837 4.912 -0.075 19142
366 1 5 . 1 1 6 6 THR CB C 6 69.935 69.935 70.241 -0.306 19142
367 1 5 . 1 1 6 6 THR H H 6 8.314 8.314 8.355 -0.041 19142
368 1 5 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.919 -0.121 19142
369 1 5 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.955 0.626 19142
370 1 5 . 1 1 7 7 PHE H H 7 9.018 9.018 7.530 1.488 19142
371 1 5 . 1 1 8 8 ILE N N 8 121.914 121.914 122.127 -0.213 19142
372 1 5 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.131 -0.437 19142
373 1 5 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.457 -0.474 19142
374 1 5 . 1 1 8 8 ILE H H 8 8.542 8.542 8.412 0.130 19142
375 1 5 . 1 1 9 9 VAL N N 9 125.551 125.551 124.733 0.818 19142
376 1 5 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.591 -0.036 19142
377 1 5 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.404 -0.282 19142
378 1 5 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142
379 1 5 . 1 1 10 10 ALA N N 10 126.210 126.210 123.203 3.007 19142
380 1 5 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.886 -0.240 19142
381 1 5 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.746 1.171 19142
382 1 5 . 1 1 10 10 ALA H H 10 8.405 8.405 8.541 -0.136 19142
383 1 5 . 1 1 11 11 CYS N N 11 120.017 120.017 122.402 -2.385 19142
384 1 5 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.354 0.576 19142
385 1 5 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.892 15.943 19142
386 1 5 . 1 1 11 11 CYS H H 11 8.599 8.599 8.439 0.160 19142
387 1 5 . 1 1 12 12 ASP N N 12 119.719 119.719 119.030 0.689 19142
388 1 5 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.784 -0.334 19142
389 1 5 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.570 1.276 19142
390 1 5 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.347 -0.571 19142
391 1 5 . 1 1 12 12 ASP H H 12 8.649 8.649 7.862 0.787 19142
392 1 5 . 1 1 13 13 GLY N N 13 107.940 107.940 107.505 0.435 19142
393 1 5 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.596 0.663 19142
394 1 5 . 1 1 13 13 GLY H H 13 8.546 8.546 7.632 0.914 19142
395 1 5 . 1 1 14 14 GLY N N 14 108.342 108.342 105.502 2.840 19142
396 1 5 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.979 0.501 19142
397 1 5 . 1 1 14 14 GLY H H 14 8.171 8.171 7.865 0.306 19142
398 1 5 . 1 1 15 15 LYS N N 15 120.019 120.019 119.708 0.311 19142
399 1 5 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.717 -0.339 19142
400 1 5 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.994 0.880 19142
401 1 5 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.235 -1.638 19142
402 1 5 . 1 1 15 15 LYS H H 15 7.709 7.709 7.872 -0.163 19142
403 1 5 . 1 1 16 16 ALA N N 16 123.520 123.520 123.337 0.183 19142
404 1 5 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.554 0.092 19142
405 1 5 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.366 -0.061 19142
406 1 5 . 1 1 16 16 ALA H H 16 8.288 8.288 8.289 -0.001 19142
407 1 5 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.641 0.229 19142
408 1 5 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.923 10.028 19142
409 1 5 . 1 1 17 17 CYS H H 17 8.916 8.916 8.618 0.298 19142
410 1 5 . 1 1 18 18 ARG N N 18 122.376 122.376 122.637 -0.261 19142
411 1 5 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.784 0.027 19142
412 1 5 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.561 2.084 19142
413 1 5 . 1 1 18 18 ARG H H 18 8.546 8.546 8.581 -0.035 19142
414 1 5 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.087 0.524 19142
415 1 5 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.118 1.453 19142
416 1 5 . 1 1 19 19 GLU H H 19 8.997 8.997 7.687 1.310 19142
417 1 5 . 1 1 20 20 VAL N N 20 123.513 123.513 125.338 -1.825 19142
418 1 5 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.021 0.661 19142
419 1 5 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.782 0.584 19142
420 1 5 . 1 1 20 20 VAL H H 20 8.581 8.581 8.355 0.226 19142
421 1 5 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.816 -0.094 19142
422 1 5 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.243 -1.309 19142
423 1 5 . 1 1 21 21 LYS H H 21 8.902 8.902 8.608 0.294 19142
424 1 5 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.367 0.024 19142
425 1 5 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.899 9.771 19142
426 1 5 . 1 1 22 22 CYS H H 22 8.986 8.986 8.684 0.302 19142
427 1 5 . 1 1 23 23 LYS N N 23 122.935 122.935 124.142 -1.207 19142
428 1 5 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.836 -0.261 19142
429 1 5 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.082 -0.300 19142
430 1 5 . 1 1 23 23 LYS H H 23 8.844 8.844 9.270 -0.426 19142
431 1 5 . 1 1 24 24 THR N N 24 117.783 117.783 116.063 1.720 19142
432 1 5 . 1 1 24 24 THR HA H 24 4.494 4.494 4.350 0.144 19142
433 1 5 . 1 1 24 24 THR CA C 24 62.443 62.443 62.421 0.022 19142
434 1 5 . 1 1 24 24 THR CB C 24 69.712 69.712 69.372 0.340 19142
435 1 5 . 1 1 24 24 THR H H 24 8.518 8.518 8.296 0.222 19142
436 1 6 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.639 0.100 19142
437 1 6 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.091 -0.020 19142
438 1 6 . 1 1 2 2 LYS H H 2 8.713 8.713 8.252 0.461 19142
439 1 6 . 1 1 3 3 SER N N 3 119.185 119.185 118.801 0.384 19142
440 1 6 . 1 1 3 3 SER HA H 3 4.634 4.634 4.734 -0.100 19142
441 1 6 . 1 1 3 3 SER CB C 3 64.237 64.237 65.141 -0.904 19142
442 1 6 . 1 1 3 3 SER H H 3 8.714 8.714 8.411 0.303 19142
443 1 6 . 1 1 4 4 CYS N N 4 123.655 123.655 123.068 0.587 19142
444 1 6 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.500 -0.196 19142
445 1 6 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.679 10.366 19142
446 1 6 . 1 1 4 4 CYS H H 4 8.709 8.709 8.759 -0.050 19142
447 1 6 . 1 1 5 5 GLU N N 5 122.846 122.846 122.679 0.167 19142
448 1 6 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.725 -0.195 19142
449 1 6 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.935 -0.581 19142
450 1 6 . 1 1 5 5 GLU H H 5 8.754 8.754 9.421 -0.667 19142
451 1 6 . 1 1 6 6 THR N N 6 117.072 117.072 116.270 0.802 19142
452 1 6 . 1 1 6 6 THR HA H 6 4.837 4.837 4.884 -0.047 19142
453 1 6 . 1 1 6 6 THR CB C 6 69.935 69.935 69.905 0.030 19142
454 1 6 . 1 1 6 6 THR H H 6 8.314 8.314 8.403 -0.089 19142
455 1 6 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.949 -0.151 19142
456 1 6 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.858 0.723 19142
457 1 6 . 1 1 7 7 PHE H H 7 9.018 9.018 7.675 1.343 19142
458 1 6 . 1 1 8 8 ILE N N 8 121.914 121.914 122.368 -0.454 19142
459 1 6 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.115 -0.421 19142
460 1 6 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.247 -0.264 19142
461 1 6 . 1 1 8 8 ILE H H 8 8.542 8.542 8.414 0.128 19142
462 1 6 . 1 1 9 9 VAL N N 9 125.551 125.551 124.715 0.836 19142
463 1 6 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.581 -0.026 19142
464 1 6 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.444 -0.322 19142
465 1 6 . 1 1 9 9 VAL H H 9 8.714 8.714 8.031 0.683 19142
466 1 6 . 1 1 10 10 ALA N N 10 126.210 126.210 123.190 3.020 19142
467 1 6 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.907 -0.261 19142
468 1 6 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.730 1.187 19142
469 1 6 . 1 1 10 10 ALA H H 10 8.405 8.405 8.544 -0.139 19142
470 1 6 . 1 1 11 11 CYS N N 11 120.017 120.017 122.286 -2.269 19142
471 1 6 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.345 0.585 19142
472 1 6 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.014 15.821 19142
473 1 6 . 1 1 11 11 CYS H H 11 8.599 8.599 8.441 0.158 19142
474 1 6 . 1 1 12 12 ASP N N 12 119.719 119.719 119.205 0.514 19142
475 1 6 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.790 -0.340 19142
476 1 6 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.832 1.014 19142
477 1 6 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.631 -0.855 19142
478 1 6 . 1 1 12 12 ASP H H 12 8.649 8.649 7.932 0.717 19142
479 1 6 . 1 1 13 13 GLY N N 13 107.940 107.940 107.111 0.829 19142
480 1 6 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.574 0.686 19142
481 1 6 . 1 1 13 13 GLY H H 13 8.546 8.546 7.667 0.879 19142
482 1 6 . 1 1 14 14 GLY N N 14 108.342 108.342 105.665 2.677 19142
483 1 6 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.912 0.568 19142
484 1 6 . 1 1 14 14 GLY H H 14 8.171 8.171 8.009 0.162 19142
485 1 6 . 1 1 15 15 LYS N N 15 120.019 120.019 119.501 0.518 19142
486 1 6 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.667 -0.289 19142
487 1 6 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.862 1.012 19142
488 1 6 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.230 -1.633 19142
489 1 6 . 1 1 15 15 LYS H H 15 7.709 7.709 7.866 -0.157 19142
490 1 6 . 1 1 16 16 ALA N N 16 123.520 123.520 123.324 0.196 19142
491 1 6 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.579 0.067 19142
492 1 6 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.332 -0.027 19142
493 1 6 . 1 1 16 16 ALA H H 16 8.288 8.288 8.269 0.019 19142
494 1 6 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.643 0.227 19142
495 1 6 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.926 10.025 19142
496 1 6 . 1 1 17 17 CYS H H 17 8.916 8.916 8.624 0.292 19142
497 1 6 . 1 1 18 18 ARG N N 18 122.376 122.376 122.408 -0.032 19142
498 1 6 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.692 0.119 19142
499 1 6 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.676 1.969 19142
500 1 6 . 1 1 18 18 ARG H H 18 8.546 8.546 8.623 -0.077 19142
501 1 6 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.064 0.547 19142
502 1 6 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.998 1.573 19142
503 1 6 . 1 1 19 19 GLU H H 19 8.997 8.997 7.781 1.216 19142
504 1 6 . 1 1 20 20 VAL N N 20 123.513 123.513 124.894 -1.381 19142
505 1 6 . 1 1 20 20 VAL HA H 20 4.682 4.682 3.958 0.724 19142
506 1 6 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.430 0.936 19142
507 1 6 . 1 1 20 20 VAL H H 20 8.581 8.581 8.247 0.334 19142
508 1 6 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.802 -0.080 19142
509 1 6 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.947 -1.013 19142
510 1 6 . 1 1 21 21 LYS H H 21 8.902 8.902 8.821 0.081 19142
511 1 6 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.483 -0.092 19142
512 1 6 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.914 9.756 19142
513 1 6 . 1 1 22 22 CYS H H 22 8.986 8.986 8.836 0.150 19142
514 1 6 . 1 1 23 23 LYS N N 23 122.935 122.935 123.457 -0.522 19142
515 1 6 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.752 -0.177 19142
516 1 6 . 1 1 23 23 LYS CB C 23 34.782 34.782 34.745 0.037 19142
517 1 6 . 1 1 23 23 LYS H H 23 8.844 8.844 9.242 -0.398 19142
518 1 6 . 1 1 24 24 THR N N 24 117.783 117.783 117.717 0.066 19142
519 1 6 . 1 1 24 24 THR HA H 24 4.494 4.494 4.354 0.140 19142
520 1 6 . 1 1 24 24 THR CA C 24 62.443 62.443 62.295 0.148 19142
521 1 6 . 1 1 24 24 THR CB C 24 69.712 69.712 69.386 0.326 19142
522 1 6 . 1 1 24 24 THR H H 24 8.518 8.518 8.434 0.084 19142
523 1 7 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.625 0.114 19142
524 1 7 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.488 -0.417 19142
525 1 7 . 1 1 2 2 LYS H H 2 8.713 8.713 8.239 0.474 19142
526 1 7 . 1 1 3 3 SER N N 3 119.185 119.185 119.020 0.165 19142
527 1 7 . 1 1 3 3 SER HA H 3 4.634 4.634 4.738 -0.104 19142
528 1 7 . 1 1 3 3 SER CB C 3 64.237 64.237 64.062 0.175 19142
529 1 7 . 1 1 3 3 SER H H 3 8.714 8.714 8.351 0.363 19142
530 1 7 . 1 1 4 4 CYS N N 4 123.655 123.655 124.675 -1.020 19142
531 1 7 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.546 -0.242 19142
532 1 7 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.854 10.191 19142
533 1 7 . 1 1 4 4 CYS H H 4 8.709 8.709 8.843 -0.134 19142
534 1 7 . 1 1 5 5 GLU N N 5 122.846 122.846 122.819 0.027 19142
535 1 7 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.677 -0.147 19142
536 1 7 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.568 -0.214 19142
537 1 7 . 1 1 5 5 GLU H H 5 8.754 8.754 9.187 -0.433 19142
538 1 7 . 1 1 6 6 THR N N 6 117.072 117.072 115.750 1.322 19142
539 1 7 . 1 1 6 6 THR HA H 6 4.837 4.837 5.224 -0.387 19142
540 1 7 . 1 1 6 6 THR CB C 6 69.935 69.935 70.091 -0.156 19142
541 1 7 . 1 1 6 6 THR H H 6 8.314 8.314 8.337 -0.023 19142
542 1 7 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.950 -0.152 19142
543 1 7 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.825 0.756 19142
544 1 7 . 1 1 7 7 PHE H H 7 9.018 9.018 7.852 1.166 19142
545 1 7 . 1 1 8 8 ILE N N 8 121.914 121.914 122.627 -0.713 19142
546 1 7 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.197 -0.503 19142
547 1 7 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.442 -0.459 19142
548 1 7 . 1 1 8 8 ILE H H 8 8.542 8.542 8.418 0.124 19142
549 1 7 . 1 1 9 9 VAL N N 9 125.551 125.551 123.784 1.767 19142
550 1 7 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.706 -0.151 19142
551 1 7 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.838 -0.716 19142
552 1 7 . 1 1 9 9 VAL H H 9 8.714 8.714 8.101 0.613 19142
553 1 7 . 1 1 10 10 ALA N N 10 126.210 126.210 123.786 2.424 19142
554 1 7 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.945 -0.299 19142
555 1 7 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.755 1.162 19142
556 1 7 . 1 1 10 10 ALA H H 10 8.405 8.405 8.567 -0.162 19142
557 1 7 . 1 1 11 11 CYS N N 11 120.017 120.017 121.796 -1.779 19142
558 1 7 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142
559 1 7 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.103 15.732 19142
560 1 7 . 1 1 11 11 CYS H H 11 8.599 8.599 8.486 0.113 19142
561 1 7 . 1 1 12 12 ASP N N 12 119.719 119.719 119.683 0.036 19142
562 1 7 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.756 -0.306 19142
563 1 7 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.915 0.931 19142
564 1 7 . 1 1 12 12 ASP CB C 12 39.776 39.776 39.890 -0.114 19142
565 1 7 . 1 1 12 12 ASP H H 12 8.649 8.649 8.037 0.612 19142
566 1 7 . 1 1 13 13 GLY N N 13 107.940 107.940 107.878 0.062 19142
567 1 7 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.495 0.765 19142
568 1 7 . 1 1 13 13 GLY H H 13 8.546 8.546 7.801 0.745 19142
569 1 7 . 1 1 14 14 GLY N N 14 108.342 108.342 105.757 2.585 19142
570 1 7 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.026 0.454 19142
571 1 7 . 1 1 14 14 GLY H H 14 8.171 8.171 8.187 -0.016 19142
572 1 7 . 1 1 15 15 LYS N N 15 120.019 120.019 120.309 -0.290 19142
573 1 7 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.263 0.115 19142
574 1 7 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.066 -0.192 19142
575 1 7 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.812 0.784 19142
576 1 7 . 1 1 15 15 LYS H H 15 7.709 7.709 7.911 -0.202 19142
577 1 7 . 1 1 16 16 ALA N N 16 123.520 123.520 122.414 1.106 19142
578 1 7 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.478 0.168 19142
579 1 7 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.356 -0.051 19142
580 1 7 . 1 1 16 16 ALA H H 16 8.288 8.288 8.217 0.071 19142
581 1 7 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.686 0.184 19142
582 1 7 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.878 10.073 19142
583 1 7 . 1 1 17 17 CYS H H 17 8.916 8.916 8.219 0.697 19142
584 1 7 . 1 1 18 18 ARG N N 18 122.376 122.376 122.230 0.146 19142
585 1 7 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.856 -0.045 19142
586 1 7 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.040 1.605 19142
587 1 7 . 1 1 18 18 ARG H H 18 8.546 8.546 8.510 0.036 19142
588 1 7 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.099 0.512 19142
589 1 7 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.588 0.983 19142
590 1 7 . 1 1 19 19 GLU H H 19 8.997 8.997 7.783 1.214 19142
591 1 7 . 1 1 20 20 VAL N N 20 123.513 123.513 121.979 1.534 19142
592 1 7 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.403 0.279 19142
593 1 7 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.331 0.035 19142
594 1 7 . 1 1 20 20 VAL H H 20 8.581 8.581 8.109 0.472 19142
595 1 7 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.739 -0.017 19142
596 1 7 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.291 -0.357 19142
597 1 7 . 1 1 21 21 LYS H H 21 8.902 8.902 8.627 0.275 19142
598 1 7 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.603 -0.212 19142
599 1 7 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.618 9.052 19142
600 1 7 . 1 1 22 22 CYS H H 22 8.986 8.986 8.704 0.282 19142
601 1 7 . 1 1 23 23 LYS N N 23 122.935 122.935 122.760 0.175 19142
602 1 7 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.732 -0.157 19142
603 1 7 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.143 -0.361 19142
604 1 7 . 1 1 23 23 LYS H H 23 8.844 8.844 9.325 -0.481 19142
605 1 7 . 1 1 24 24 THR N N 24 117.783 117.783 120.006 -2.223 19142
606 1 7 . 1 1 24 24 THR HA H 24 4.494 4.494 4.339 0.155 19142
607 1 7 . 1 1 24 24 THR CA C 24 62.443 62.443 63.561 -1.118 19142
608 1 7 . 1 1 24 24 THR CB C 24 69.712 69.712 68.733 0.979 19142
609 1 7 . 1 1 24 24 THR H H 24 8.518 8.518 8.514 0.004 19142
610 1 8 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.544 0.195 19142
611 1 8 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.661 0.410 19142
612 1 8 . 1 1 2 2 LYS H H 2 8.713 8.713 8.239 0.474 19142
613 1 8 . 1 1 3 3 SER N N 3 119.185 119.185 118.393 0.792 19142
614 1 8 . 1 1 3 3 SER HA H 3 4.634 4.634 4.775 -0.141 19142
615 1 8 . 1 1 3 3 SER CB C 3 64.237 64.237 64.265 -0.028 19142
616 1 8 . 1 1 3 3 SER H H 3 8.714 8.714 8.347 0.367 19142
617 1 8 . 1 1 4 4 CYS N N 4 123.655 123.655 124.776 -1.121 19142
618 1 8 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.583 -0.279 19142
619 1 8 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.370 10.675 19142
620 1 8 . 1 1 4 4 CYS H H 4 8.709 8.709 8.934 -0.225 19142
621 1 8 . 1 1 5 5 GLU N N 5 122.846 122.846 122.870 -0.024 19142
622 1 8 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.686 -0.156 19142
623 1 8 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.494 -0.140 19142
624 1 8 . 1 1 5 5 GLU H H 5 8.754 8.754 9.163 -0.409 19142
625 1 8 . 1 1 6 6 THR N N 6 117.072 117.072 115.221 1.851 19142
626 1 8 . 1 1 6 6 THR HA H 6 4.837 4.837 5.210 -0.373 19142
627 1 8 . 1 1 6 6 THR CB C 6 69.935 69.935 70.242 -0.307 19142
628 1 8 . 1 1 6 6 THR H H 6 8.314 8.314 8.311 0.003 19142
629 1 8 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.000 -0.202 19142
630 1 8 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.453 1.128 19142
631 1 8 . 1 1 7 7 PHE H H 7 9.018 9.018 7.876 1.142 19142
632 1 8 . 1 1 8 8 ILE N N 8 121.914 121.914 122.284 -0.370 19142
633 1 8 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.130 -0.436 19142
634 1 8 . 1 1 8 8 ILE CB C 8 37.983 37.983 37.986 -0.003 19142
635 1 8 . 1 1 8 8 ILE H H 8 8.542 8.542 8.423 0.119 19142
636 1 8 . 1 1 9 9 VAL N N 9 125.551 125.551 123.448 2.103 19142
637 1 8 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.667 -0.112 19142
638 1 8 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.908 -0.786 19142
639 1 8 . 1 1 9 9 VAL H H 9 8.714 8.714 8.012 0.702 19142
640 1 8 . 1 1 10 10 ALA N N 10 126.210 126.210 123.347 2.863 19142
641 1 8 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.922 -0.276 19142
642 1 8 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.613 1.304 19142
643 1 8 . 1 1 10 10 ALA H H 10 8.405 8.405 8.591 -0.186 19142
644 1 8 . 1 1 11 11 CYS N N 11 120.017 120.017 121.606 -1.589 19142
645 1 8 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.315 0.615 19142
646 1 8 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.158 15.677 19142
647 1 8 . 1 1 11 11 CYS H H 11 8.599 8.599 8.468 0.131 19142
648 1 8 . 1 1 12 12 ASP N N 12 119.719 119.719 118.945 0.774 19142
649 1 8 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.765 -0.315 19142
650 1 8 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.800 1.046 19142
651 1 8 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.379 -0.603 19142
652 1 8 . 1 1 12 12 ASP H H 12 8.649 8.649 8.351 0.298 19142
653 1 8 . 1 1 13 13 GLY N N 13 107.940 107.940 107.874 0.066 19142
654 1 8 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.642 0.618 19142
655 1 8 . 1 1 13 13 GLY H H 13 8.546 8.546 7.699 0.847 19142
656 1 8 . 1 1 14 14 GLY N N 14 108.342 108.342 106.243 2.099 19142
657 1 8 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.903 0.577 19142
658 1 8 . 1 1 14 14 GLY H H 14 8.171 8.171 8.244 -0.073 19142
659 1 8 . 1 1 15 15 LYS N N 15 120.019 120.019 120.200 -0.181 19142
660 1 8 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.261 0.117 19142
661 1 8 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.136 -0.262 19142
662 1 8 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.015 0.582 19142
663 1 8 . 1 1 15 15 LYS H H 15 7.709 7.709 7.866 -0.157 19142
664 1 8 . 1 1 16 16 ALA N N 16 123.520 123.520 122.104 1.416 19142
665 1 8 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.504 0.142 19142
666 1 8 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.582 -0.277 19142
667 1 8 . 1 1 16 16 ALA H H 16 8.288 8.288 8.187 0.101 19142
668 1 8 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.683 0.187 19142
669 1 8 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.073 9.878 19142
670 1 8 . 1 1 17 17 CYS H H 17 8.916 8.916 8.342 0.574 19142
671 1 8 . 1 1 18 18 ARG N N 18 122.376 122.376 122.429 -0.053 19142
672 1 8 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.849 -0.038 19142
673 1 8 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.747 1.898 19142
674 1 8 . 1 1 18 18 ARG H H 18 8.546 8.546 8.478 0.068 19142
675 1 8 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.102 0.509 19142
676 1 8 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.559 1.012 19142
677 1 8 . 1 1 19 19 GLU H H 19 8.997 8.997 7.706 1.291 19142
678 1 8 . 1 1 20 20 VAL N N 20 123.513 123.513 122.274 1.239 19142
679 1 8 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.371 0.311 19142
680 1 8 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.276 0.090 19142
681 1 8 . 1 1 20 20 VAL H H 20 8.581 8.581 8.142 0.439 19142
682 1 8 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.746 -0.024 19142
683 1 8 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.222 -0.288 19142
684 1 8 . 1 1 21 21 LYS H H 21 8.902 8.902 8.666 0.236 19142
685 1 8 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.362 0.029 19142
686 1 8 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.195 10.475 19142
687 1 8 . 1 1 22 22 CYS H H 22 8.986 8.986 8.714 0.272 19142
688 1 8 . 1 1 23 23 LYS N N 23 122.935 122.935 124.368 -1.433 19142
689 1 8 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.758 -0.183 19142
690 1 8 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.331 -0.549 19142
691 1 8 . 1 1 23 23 LYS H H 23 8.844 8.844 9.179 -0.335 19142
692 1 8 . 1 1 24 24 THR N N 24 117.783 117.783 116.947 0.836 19142
693 1 8 . 1 1 24 24 THR HA H 24 4.494 4.494 4.598 -0.104 19142
694 1 8 . 1 1 24 24 THR CA C 24 62.443 62.443 61.582 0.861 19142
695 1 8 . 1 1 24 24 THR CB C 24 69.712 69.712 69.240 0.472 19142
696 1 8 . 1 1 24 24 THR H H 24 8.518 8.518 8.391 0.127 19142
697 1 9 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.732 0.007 19142
698 1 9 . 1 1 2 2 LYS CB C 2 34.071 34.071 35.000 -0.929 19142
699 1 9 . 1 1 2 2 LYS H H 2 8.713 8.713 8.222 0.491 19142
700 1 9 . 1 1 3 3 SER N N 3 119.185 119.185 119.175 0.010 19142
701 1 9 . 1 1 3 3 SER HA H 3 4.634 4.634 4.787 -0.153 19142
702 1 9 . 1 1 3 3 SER CB C 3 64.237 64.237 64.365 -0.128 19142
703 1 9 . 1 1 3 3 SER H H 3 8.714 8.714 8.416 0.298 19142
704 1 9 . 1 1 4 4 CYS N N 4 123.655 123.655 124.218 -0.563 19142
705 1 9 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.436 -0.132 19142
706 1 9 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.398 10.647 19142
707 1 9 . 1 1 4 4 CYS H H 4 8.709 8.709 8.888 -0.179 19142
708 1 9 . 1 1 5 5 GLU N N 5 122.846 122.846 121.475 1.371 19142
709 1 9 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.628 -0.098 19142
710 1 9 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.387 -0.033 19142
711 1 9 . 1 1 5 5 GLU H H 5 8.754 8.754 9.056 -0.302 19142
712 1 9 . 1 1 6 6 THR N N 6 117.072 117.072 115.578 1.494 19142
713 1 9 . 1 1 6 6 THR HA H 6 4.837 4.837 5.226 -0.389 19142
714 1 9 . 1 1 6 6 THR CB C 6 69.935 69.935 70.351 -0.416 19142
715 1 9 . 1 1 6 6 THR H H 6 8.314 8.314 8.376 -0.062 19142
716 1 9 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.987 -0.189 19142
717 1 9 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.278 0.303 19142
718 1 9 . 1 1 7 7 PHE H H 7 9.018 9.018 7.846 1.172 19142
719 1 9 . 1 1 8 8 ILE N N 8 121.914 121.914 122.201 -0.287 19142
720 1 9 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.147 -0.453 19142
721 1 9 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.521 -0.538 19142
722 1 9 . 1 1 8 8 ILE H H 8 8.542 8.542 8.395 0.147 19142
723 1 9 . 1 1 9 9 VAL N N 9 125.551 125.551 124.015 1.536 19142
724 1 9 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.653 -0.098 19142
725 1 9 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.762 -0.640 19142
726 1 9 . 1 1 9 9 VAL H H 9 8.714 8.714 8.088 0.626 19142
727 1 9 . 1 1 10 10 ALA N N 10 126.210 126.210 123.837 2.373 19142
728 1 9 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.832 -0.186 19142
729 1 9 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.663 1.254 19142
730 1 9 . 1 1 10 10 ALA H H 10 8.405 8.405 8.601 -0.196 19142
731 1 9 . 1 1 11 11 CYS N N 11 120.017 120.017 122.295 -2.278 19142
732 1 9 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.351 0.579 19142
733 1 9 . 1 1 11 11 CYS CB C 11 42.835 42.835 26.970 15.865 19142
734 1 9 . 1 1 11 11 CYS H H 11 8.599 8.599 8.462 0.137 19142
735 1 9 . 1 1 12 12 ASP N N 12 119.719 119.719 118.924 0.795 19142
736 1 9 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.759 -0.309 19142
737 1 9 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.157 0.689 19142
738 1 9 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.640 -0.864 19142
739 1 9 . 1 1 12 12 ASP H H 12 8.649 8.649 7.948 0.701 19142
740 1 9 . 1 1 13 13 GLY N N 13 107.940 107.940 108.701 -0.761 19142
741 1 9 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.701 0.559 19142
742 1 9 . 1 1 13 13 GLY H H 13 8.546 8.546 7.633 0.913 19142
743 1 9 . 1 1 14 14 GLY N N 14 108.342 108.342 105.774 2.568 19142
744 1 9 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.933 0.547 19142
745 1 9 . 1 1 14 14 GLY H H 14 8.171 8.171 8.039 0.132 19142
746 1 9 . 1 1 15 15 LYS N N 15 120.019 120.019 119.590 0.429 19142
747 1 9 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.665 -0.287 19142
748 1 9 . 1 1 15 15 LYS CA C 15 55.874 55.874 54.908 0.966 19142
749 1 9 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.087 -1.490 19142
750 1 9 . 1 1 15 15 LYS H H 15 7.709 7.709 7.839 -0.130 19142
751 1 9 . 1 1 16 16 ALA N N 16 123.520 123.520 123.619 -0.099 19142
752 1 9 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.571 0.075 19142
753 1 9 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.252 0.053 19142
754 1 9 . 1 1 16 16 ALA H H 16 8.288 8.288 8.273 0.015 19142
755 1 9 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.679 0.191 19142
756 1 9 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.002 9.949 19142
757 1 9 . 1 1 17 17 CYS H H 17 8.916 8.916 8.326 0.590 19142
758 1 9 . 1 1 18 18 ARG N N 18 122.376 122.376 122.711 -0.335 19142
759 1 9 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.787 0.024 19142
760 1 9 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.425 2.220 19142
761 1 9 . 1 1 18 18 ARG H H 18 8.546 8.546 8.571 -0.025 19142
762 1 9 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.070 0.541 19142
763 1 9 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.277 1.294 19142
764 1 9 . 1 1 19 19 GLU H H 19 8.997 8.997 7.660 1.337 19142
765 1 9 . 1 1 20 20 VAL N N 20 123.513 123.513 124.485 -0.972 19142
766 1 9 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.334 0.348 19142
767 1 9 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.101 0.265 19142
768 1 9 . 1 1 20 20 VAL H H 20 8.581 8.581 8.302 0.279 19142
769 1 9 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.855 -0.133 19142
770 1 9 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.074 -1.140 19142
771 1 9 . 1 1 21 21 LYS H H 21 8.902 8.902 8.819 0.083 19142
772 1 9 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.518 -0.127 19142
773 1 9 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.332 9.338 19142
774 1 9 . 1 1 22 22 CYS H H 22 8.986 8.986 8.544 0.442 19142
775 1 9 . 1 1 23 23 LYS N N 23 122.935 122.935 123.130 -0.195 19142
776 1 9 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.721 -0.146 19142
777 1 9 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.246 -0.464 19142
778 1 9 . 1 1 23 23 LYS H H 23 8.844 8.844 9.192 -0.348 19142
779 1 9 . 1 1 24 24 THR N N 24 117.783 117.783 115.780 2.003 19142
780 1 9 . 1 1 24 24 THR HA H 24 4.494 4.494 4.401 0.093 19142
781 1 9 . 1 1 24 24 THR CA C 24 62.443 62.443 61.926 0.517 19142
782 1 9 . 1 1 24 24 THR CB C 24 69.712 69.712 69.290 0.423 19142
783 1 9 . 1 1 24 24 THR H H 24 8.518 8.518 8.378 0.140 19142
784 1 10 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.715 0.024 19142
785 1 10 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.514 -0.443 19142
786 1 10 . 1 1 2 2 LYS H H 2 8.713 8.713 8.221 0.492 19142
787 1 10 . 1 1 3 3 SER N N 3 119.185 119.185 117.085 2.100 19142
788 1 10 . 1 1 3 3 SER HA H 3 4.634 4.634 4.797 -0.163 19142
789 1 10 . 1 1 3 3 SER CB C 3 64.237 64.237 64.949 -0.712 19142
790 1 10 . 1 1 3 3 SER H H 3 8.714 8.714 8.411 0.303 19142
791 1 10 . 1 1 4 4 CYS N N 4 123.655 123.655 125.240 -1.585 19142
792 1 10 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.557 -0.253 19142
793 1 10 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.394 10.651 19142
794 1 10 . 1 1 4 4 CYS H H 4 8.709 8.709 8.908 -0.199 19142
795 1 10 . 1 1 5 5 GLU N N 5 122.846 122.846 123.317 -0.471 19142
796 1 10 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.724 -0.194 19142
797 1 10 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.674 -0.320 19142
798 1 10 . 1 1 5 5 GLU H H 5 8.754 8.754 9.153 -0.399 19142
799 1 10 . 1 1 6 6 THR N N 6 117.072 117.072 115.770 1.302 19142
800 1 10 . 1 1 6 6 THR HA H 6 4.837 4.837 5.160 -0.323 19142
801 1 10 . 1 1 6 6 THR CB C 6 69.935 69.935 70.040 -0.105 19142
802 1 10 . 1 1 6 6 THR H H 6 8.314 8.314 8.344 -0.030 19142
803 1 10 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.959 -0.161 19142
804 1 10 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.830 0.751 19142
805 1 10 . 1 1 7 7 PHE H H 7 9.018 9.018 7.825 1.193 19142
806 1 10 . 1 1 8 8 ILE N N 8 121.914 121.914 122.576 -0.662 19142
807 1 10 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.176 -0.482 19142
808 1 10 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.332 -0.349 19142
809 1 10 . 1 1 8 8 ILE H H 8 8.542 8.542 8.434 0.108 19142
810 1 10 . 1 1 9 9 VAL N N 9 125.551 125.551 124.857 0.694 19142
811 1 10 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.593 -0.038 19142
812 1 10 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.410 -0.288 19142
813 1 10 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142
814 1 10 . 1 1 10 10 ALA N N 10 126.210 126.210 123.153 3.057 19142
815 1 10 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.930 -0.284 19142
816 1 10 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.749 1.168 19142
817 1 10 . 1 1 10 10 ALA H H 10 8.405 8.405 8.510 -0.105 19142
818 1 10 . 1 1 11 11 CYS N N 11 120.017 120.017 121.678 -1.661 19142
819 1 10 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142
820 1 10 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.130 15.705 19142
821 1 10 . 1 1 11 11 CYS H H 11 8.599 8.599 8.471 0.128 19142
822 1 10 . 1 1 12 12 ASP N N 12 119.719 119.719 119.604 0.115 19142
823 1 10 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.730 -0.280 19142
824 1 10 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.079 0.767 19142
825 1 10 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.062 -0.286 19142
826 1 10 . 1 1 12 12 ASP H H 12 8.649 8.649 8.086 0.563 19142
827 1 10 . 1 1 13 13 GLY N N 13 107.940 107.940 108.029 -0.089 19142
828 1 10 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.482 0.778 19142
829 1 10 . 1 1 13 13 GLY H H 13 8.546 8.546 7.819 0.727 19142
830 1 10 . 1 1 14 14 GLY N N 14 108.342 108.342 106.216 2.126 19142
831 1 10 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.907 0.573 19142
832 1 10 . 1 1 14 14 GLY H H 14 8.171 8.171 8.245 -0.074 19142
833 1 10 . 1 1 15 15 LYS N N 15 120.019 120.019 120.183 -0.164 19142
834 1 10 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.261 0.117 19142
835 1 10 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.136 -0.262 19142
836 1 10 . 1 1 15 15 LYS CB C 15 33.597 33.597 33.018 0.579 19142
837 1 10 . 1 1 15 15 LYS H H 15 7.709 7.709 7.863 -0.154 19142
838 1 10 . 1 1 16 16 ALA N N 16 123.520 123.520 122.180 1.340 19142
839 1 10 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.511 0.135 19142
840 1 10 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.522 -0.217 19142
841 1 10 . 1 1 16 16 ALA H H 16 8.288 8.288 8.196 0.092 19142
842 1 10 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.689 0.181 19142
843 1 10 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.047 9.904 19142
844 1 10 . 1 1 17 17 CYS H H 17 8.916 8.916 8.276 0.640 19142
845 1 10 . 1 1 18 18 ARG N N 18 122.376 122.376 122.022 0.354 19142
846 1 10 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.854 -0.043 19142
847 1 10 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.068 1.577 19142
848 1 10 . 1 1 18 18 ARG H H 18 8.546 8.546 8.505 0.041 19142
849 1 10 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.112 0.499 19142
850 1 10 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.577 0.994 19142
851 1 10 . 1 1 19 19 GLU H H 19 8.997 8.997 7.803 1.194 19142
852 1 10 . 1 1 20 20 VAL N N 20 123.513 123.513 121.852 1.661 19142
853 1 10 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.392 0.290 19142
854 1 10 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.297 0.069 19142
855 1 10 . 1 1 20 20 VAL H H 20 8.581 8.581 8.142 0.439 19142
856 1 10 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.760 -0.038 19142
857 1 10 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.024 -0.090 19142
858 1 10 . 1 1 21 21 LYS H H 21 8.902 8.902 8.582 0.320 19142
859 1 10 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.514 -0.123 19142
860 1 10 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.333 9.337 19142
861 1 10 . 1 1 22 22 CYS H H 22 8.986 8.986 8.647 0.339 19142
862 1 10 . 1 1 23 23 LYS N N 23 122.935 122.935 123.558 -0.623 19142
863 1 10 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.753 -0.178 19142
864 1 10 . 1 1 23 23 LYS CB C 23 34.782 34.782 34.469 0.313 19142
865 1 10 . 1 1 23 23 LYS H H 23 8.844 8.844 9.234 -0.390 19142
866 1 10 . 1 1 24 24 THR N N 24 117.783 117.783 116.861 0.922 19142
867 1 10 . 1 1 24 24 THR HA H 24 4.494 4.494 4.495 -0.001 19142
868 1 10 . 1 1 24 24 THR CA C 24 62.443 62.443 62.112 0.331 19142
869 1 10 . 1 1 24 24 THR CB C 24 69.712 69.712 69.248 0.464 19142
870 1 10 . 1 1 24 24 THR H H 24 8.518 8.518 8.439 0.079 19142
871 1 11 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.636 0.103 19142
872 1 11 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.958 0.113 19142
873 1 11 . 1 1 2 2 LYS H H 2 8.713 8.713 8.301 0.412 19142
874 1 11 . 1 1 3 3 SER N N 3 119.185 119.185 120.731 -1.546 19142
875 1 11 . 1 1 3 3 SER HA H 3 4.634 4.634 4.721 -0.087 19142
876 1 11 . 1 1 3 3 SER CB C 3 64.237 64.237 64.546 -0.309 19142
877 1 11 . 1 1 3 3 SER H H 3 8.714 8.714 8.376 0.338 19142
878 1 11 . 1 1 4 4 CYS N N 4 123.655 123.655 121.825 1.830 19142
879 1 11 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.504 -0.200 19142
880 1 11 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.841 10.204 19142
881 1 11 . 1 1 4 4 CYS H H 4 8.709 8.709 8.821 -0.112 19142
882 1 11 . 1 1 5 5 GLU N N 5 122.846 122.846 122.933 -0.087 19142
883 1 11 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.742 -0.212 19142
884 1 11 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.910 -0.556 19142
885 1 11 . 1 1 5 5 GLU H H 5 8.754 8.754 9.408 -0.654 19142
886 1 11 . 1 1 6 6 THR N N 6 117.072 117.072 116.295 0.777 19142
887 1 11 . 1 1 6 6 THR HA H 6 4.837 4.837 5.055 -0.218 19142
888 1 11 . 1 1 6 6 THR CB C 6 69.935 69.935 70.031 -0.096 19142
889 1 11 . 1 1 6 6 THR H H 6 8.314 8.314 8.386 -0.072 19142
890 1 11 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.950 -0.152 19142
891 1 11 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.661 0.920 19142
892 1 11 . 1 1 7 7 PHE H H 7 9.018 9.018 7.705 1.313 19142
893 1 11 . 1 1 8 8 ILE N N 8 121.914 121.914 122.523 -0.609 19142
894 1 11 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.122 -0.428 19142
895 1 11 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.277 -0.294 19142
896 1 11 . 1 1 8 8 ILE H H 8 8.542 8.542 8.398 0.144 19142
897 1 11 . 1 1 9 9 VAL N N 9 125.551 125.551 124.136 1.415 19142
898 1 11 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.643 -0.088 19142
899 1 11 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.722 -0.600 19142
900 1 11 . 1 1 9 9 VAL H H 9 8.714 8.714 8.077 0.637 19142
901 1 11 . 1 1 10 10 ALA N N 10 126.210 126.210 123.630 2.580 19142
902 1 11 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.789 -0.143 19142
903 1 11 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.549 1.368 19142
904 1 11 . 1 1 10 10 ALA H H 10 8.405 8.405 8.519 -0.114 19142
905 1 11 . 1 1 11 11 CYS N N 11 120.017 120.017 121.394 -1.377 19142
906 1 11 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.308 0.622 19142
907 1 11 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.149 15.686 19142
908 1 11 . 1 1 11 11 CYS H H 11 8.599 8.599 8.363 0.236 19142
909 1 11 . 1 1 12 12 ASP N N 12 119.719 119.719 119.139 0.580 19142
910 1 11 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.818 -0.368 19142
911 1 11 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.886 0.960 19142
912 1 11 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.451 -0.675 19142
913 1 11 . 1 1 12 12 ASP H H 12 8.649 8.649 7.921 0.728 19142
914 1 11 . 1 1 13 13 GLY N N 13 107.940 107.940 107.221 0.719 19142
915 1 11 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.223 1.037 19142
916 1 11 . 1 1 13 13 GLY H H 13 8.546 8.546 7.566 0.980 19142
917 1 11 . 1 1 14 14 GLY N N 14 108.342 108.342 105.763 2.579 19142
918 1 11 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.180 0.300 19142
919 1 11 . 1 1 14 14 GLY H H 14 8.171 8.171 8.127 0.044 19142
920 1 11 . 1 1 15 15 LYS N N 15 120.019 120.019 119.754 0.265 19142
921 1 11 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.723 -0.345 19142
922 1 11 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.037 0.837 19142
923 1 11 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.070 -1.473 19142
924 1 11 . 1 1 15 15 LYS H H 15 7.709 7.709 7.846 -0.137 19142
925 1 11 . 1 1 16 16 ALA N N 16 123.520 123.520 123.553 -0.033 19142
926 1 11 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.567 0.079 19142
927 1 11 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.491 -0.186 19142
928 1 11 . 1 1 16 16 ALA H H 16 8.288 8.288 8.287 0.001 19142
929 1 11 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.683 0.187 19142
930 1 11 . 1 1 17 17 CYS CB C 17 40.951 40.951 31.014 9.937 19142
931 1 11 . 1 1 17 17 CYS H H 17 8.916 8.916 8.360 0.556 19142
932 1 11 . 1 1 18 18 ARG N N 18 122.376 122.376 122.342 0.034 19142
933 1 11 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.691 0.120 19142
934 1 11 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.805 1.840 19142
935 1 11 . 1 1 18 18 ARG H H 18 8.546 8.546 8.616 -0.070 19142
936 1 11 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.011 0.600 19142
937 1 11 . 1 1 19 19 GLU CB C 19 31.571 31.571 29.991 1.580 19142
938 1 11 . 1 1 19 19 GLU H H 19 8.997 8.997 7.843 1.154 19142
939 1 11 . 1 1 20 20 VAL N N 20 123.513 123.513 124.775 -1.262 19142
940 1 11 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.158 0.524 19142
941 1 11 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.477 0.889 19142
942 1 11 . 1 1 20 20 VAL H H 20 8.581 8.581 8.277 0.304 19142
943 1 11 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.833 -0.111 19142
944 1 11 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.997 -1.063 19142
945 1 11 . 1 1 21 21 LYS H H 21 8.902 8.902 9.036 -0.134 19142
946 1 11 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.545 -0.154 19142
947 1 11 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.107 9.563 19142
948 1 11 . 1 1 22 22 CYS H H 22 8.986 8.986 8.967 0.019 19142
949 1 11 . 1 1 23 23 LYS N N 23 122.935 122.935 123.025 -0.090 19142
950 1 11 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.735 -0.160 19142
951 1 11 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.320 -0.538 19142
952 1 11 . 1 1 23 23 LYS H H 23 8.844 8.844 9.254 -0.410 19142
953 1 11 . 1 1 24 24 THR N N 24 117.783 117.783 120.554 -2.771 19142
954 1 11 . 1 1 24 24 THR HA H 24 4.494 4.494 4.413 0.081 19142
955 1 11 . 1 1 24 24 THR CA C 24 62.443 62.443 63.544 -1.101 19142
956 1 11 . 1 1 24 24 THR CB C 24 69.712 69.712 68.829 0.883 19142
957 1 11 . 1 1 24 24 THR H H 24 8.518 8.518 8.529 -0.011 19142
958 1 12 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.627 0.112 19142
959 1 12 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.285 -0.214 19142
960 1 12 . 1 1 2 2 LYS H H 2 8.713 8.713 8.197 0.516 19142
961 1 12 . 1 1 3 3 SER N N 3 119.185 119.185 118.650 0.535 19142
962 1 12 . 1 1 3 3 SER HA H 3 4.634 4.634 4.784 -0.150 19142
963 1 12 . 1 1 3 3 SER CB C 3 64.237 64.237 64.376 -0.139 19142
964 1 12 . 1 1 3 3 SER H H 3 8.714 8.714 8.366 0.348 19142
965 1 12 . 1 1 4 4 CYS N N 4 123.655 123.655 124.575 -0.920 19142
966 1 12 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.516 -0.212 19142
967 1 12 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.266 10.779 19142
968 1 12 . 1 1 4 4 CYS H H 4 8.709 8.709 8.915 -0.206 19142
969 1 12 . 1 1 5 5 GLU N N 5 122.846 122.846 123.265 -0.419 19142
970 1 12 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.726 -0.196 19142
971 1 12 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.642 -0.288 19142
972 1 12 . 1 1 5 5 GLU H H 5 8.754 8.754 9.150 -0.396 19142
973 1 12 . 1 1 6 6 THR N N 6 117.072 117.072 115.362 1.710 19142
974 1 12 . 1 1 6 6 THR HA H 6 4.837 4.837 5.127 -0.290 19142
975 1 12 . 1 1 6 6 THR CB C 6 69.935 69.935 70.066 -0.131 19142
976 1 12 . 1 1 6 6 THR H H 6 8.314 8.314 8.312 0.002 19142
977 1 12 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.937 -0.139 19142
978 1 12 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.697 0.884 19142
979 1 12 . 1 1 7 7 PHE H H 7 9.018 9.018 7.927 1.091 19142
980 1 12 . 1 1 8 8 ILE N N 8 121.914 121.914 122.466 -0.552 19142
981 1 12 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.178 -0.484 19142
982 1 12 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.413 -0.430 19142
983 1 12 . 1 1 8 8 ILE H H 8 8.542 8.542 8.430 0.112 19142
984 1 12 . 1 1 9 9 VAL N N 9 125.551 125.551 124.833 0.718 19142
985 1 12 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.597 -0.042 19142
986 1 12 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.365 -0.243 19142
987 1 12 . 1 1 9 9 VAL H H 9 8.714 8.714 8.058 0.656 19142
988 1 12 . 1 1 10 10 ALA N N 10 126.210 126.210 123.143 3.067 19142
989 1 12 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.820 -0.174 19142
990 1 12 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.662 1.255 19142
991 1 12 . 1 1 10 10 ALA H H 10 8.405 8.405 8.436 -0.031 19142
992 1 12 . 1 1 11 11 CYS N N 11 120.017 120.017 120.881 -0.864 19142
993 1 12 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.292 0.638 19142
994 1 12 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.092 15.743 19142
995 1 12 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142
996 1 12 . 1 1 12 12 ASP N N 12 119.719 119.719 118.838 0.881 19142
997 1 12 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.771 -0.321 19142
998 1 12 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.680 1.166 19142
999 1 12 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.588 -0.812 19142
1000 1 12 . 1 1 12 12 ASP H H 12 8.649 8.649 7.889 0.760 19142
1001 1 12 . 1 1 13 13 GLY N N 13 107.940 107.940 107.284 0.656 19142
1002 1 12 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.143 1.117 19142
1003 1 12 . 1 1 13 13 GLY H H 13 8.546 8.546 7.616 0.930 19142
1004 1 12 . 1 1 14 14 GLY N N 14 108.342 108.342 105.713 2.629 19142
1005 1 12 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.187 0.293 19142
1006 1 12 . 1 1 14 14 GLY H H 14 8.171 8.171 8.115 0.056 19142
1007 1 12 . 1 1 15 15 LYS N N 15 120.019 120.019 119.876 0.143 19142
1008 1 12 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.726 -0.348 19142
1009 1 12 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.072 0.803 19142
1010 1 12 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.078 -1.481 19142
1011 1 12 . 1 1 15 15 LYS H H 15 7.709 7.709 7.837 -0.128 19142
1012 1 12 . 1 1 16 16 ALA N N 16 123.520 123.520 123.672 -0.152 19142
1013 1 12 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.562 0.084 19142
1014 1 12 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.382 -0.077 19142
1015 1 12 . 1 1 16 16 ALA H H 16 8.288 8.288 8.297 -0.009 19142
1016 1 12 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.682 0.188 19142
1017 1 12 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.896 10.055 19142
1018 1 12 . 1 1 17 17 CYS H H 17 8.916 8.916 8.306 0.610 19142
1019 1 12 . 1 1 18 18 ARG N N 18 122.376 122.376 122.595 -0.219 19142
1020 1 12 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.837 -0.026 19142
1021 1 12 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.699 1.946 19142
1022 1 12 . 1 1 18 18 ARG H H 18 8.546 8.546 8.471 0.075 19142
1023 1 12 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.091 0.520 19142
1024 1 12 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.532 1.039 19142
1025 1 12 . 1 1 19 19 GLU H H 19 8.997 8.997 7.678 1.319 19142
1026 1 12 . 1 1 20 20 VAL N N 20 123.513 123.513 122.092 1.421 19142
1027 1 12 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.365 0.317 19142
1028 1 12 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.243 0.123 19142
1029 1 12 . 1 1 20 20 VAL H H 20 8.581 8.581 8.121 0.460 19142
1030 1 12 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.797 -0.075 19142
1031 1 12 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.918 -0.984 19142
1032 1 12 . 1 1 21 21 LYS H H 21 8.902 8.902 8.588 0.314 19142
1033 1 12 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.481 -0.090 19142
1034 1 12 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.792 9.878 19142
1035 1 12 . 1 1 22 22 CYS H H 22 8.986 8.986 8.907 0.079 19142
1036 1 12 . 1 1 23 23 LYS N N 23 122.935 122.935 122.971 -0.036 19142
1037 1 12 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.743 -0.168 19142
1038 1 12 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.251 -0.469 19142
1039 1 12 . 1 1 23 23 LYS H H 23 8.844 8.844 9.192 -0.348 19142
1040 1 12 . 1 1 24 24 THR N N 24 117.783 117.783 115.166 2.617 19142
1041 1 12 . 1 1 24 24 THR HA H 24 4.494 4.494 4.407 0.087 19142
1042 1 12 . 1 1 24 24 THR CA C 24 62.443 62.443 61.330 1.113 19142
1043 1 12 . 1 1 24 24 THR CB C 24 69.712 69.712 69.372 0.340 19142
1044 1 12 . 1 1 24 24 THR H H 24 8.518 8.518 8.346 0.172 19142
1045 1 13 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.669 0.070 19142
1046 1 13 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.576 -0.505 19142
1047 1 13 . 1 1 2 2 LYS H H 2 8.713 8.713 8.216 0.497 19142
1048 1 13 . 1 1 3 3 SER N N 3 119.185 119.185 117.684 1.501 19142
1049 1 13 . 1 1 3 3 SER HA H 3 4.634 4.634 4.778 -0.144 19142
1050 1 13 . 1 1 3 3 SER CB C 3 64.237 64.237 64.948 -0.711 19142
1051 1 13 . 1 1 3 3 SER H H 3 8.714 8.714 8.364 0.350 19142
1052 1 13 . 1 1 4 4 CYS N N 4 123.655 123.655 123.642 0.013 19142
1053 1 13 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.538 -0.234 19142
1054 1 13 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.316 10.729 19142
1055 1 13 . 1 1 4 4 CYS H H 4 8.709 8.709 8.855 -0.146 19142
1056 1 13 . 1 1 5 5 GLU N N 5 122.846 122.846 122.825 0.021 19142
1057 1 13 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.671 -0.141 19142
1058 1 13 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.700 -0.346 19142
1059 1 13 . 1 1 5 5 GLU H H 5 8.754 8.754 9.215 -0.461 19142
1060 1 13 . 1 1 6 6 THR N N 6 117.072 117.072 115.667 1.405 19142
1061 1 13 . 1 1 6 6 THR HA H 6 4.837 4.837 5.178 -0.341 19142
1062 1 13 . 1 1 6 6 THR CB C 6 69.935 69.935 70.120 -0.185 19142
1063 1 13 . 1 1 6 6 THR H H 6 8.314 8.314 8.333 -0.019 19142
1064 1 13 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.015 -0.217 19142
1065 1 13 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.471 1.110 19142
1066 1 13 . 1 1 7 7 PHE H H 7 9.018 9.018 7.979 1.039 19142
1067 1 13 . 1 1 8 8 ILE N N 8 121.914 121.914 122.503 -0.589 19142
1068 1 13 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.185 -0.491 19142
1069 1 13 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.361 -0.378 19142
1070 1 13 . 1 1 8 8 ILE H H 8 8.542 8.542 8.433 0.109 19142
1071 1 13 . 1 1 9 9 VAL N N 9 125.551 125.551 124.866 0.685 19142
1072 1 13 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.597 -0.042 19142
1073 1 13 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.350 -0.228 19142
1074 1 13 . 1 1 9 9 VAL H H 9 8.714 8.714 8.058 0.656 19142
1075 1 13 . 1 1 10 10 ALA N N 10 126.210 126.210 123.160 3.050 19142
1076 1 13 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.798 -0.152 19142
1077 1 13 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.652 1.265 19142
1078 1 13 . 1 1 10 10 ALA H H 10 8.405 8.405 8.432 -0.028 19142
1079 1 13 . 1 1 11 11 CYS N N 11 120.017 120.017 120.945 -0.928 19142
1080 1 13 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.298 0.632 19142
1081 1 13 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.093 15.742 19142
1082 1 13 . 1 1 11 11 CYS H H 11 8.599 8.599 8.546 0.053 19142
1083 1 13 . 1 1 12 12 ASP N N 12 119.719 119.719 119.168 0.551 19142
1084 1 13 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.763 -0.313 19142
1085 1 13 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.854 0.992 19142
1086 1 13 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.594 -0.818 19142
1087 1 13 . 1 1 12 12 ASP H H 12 8.649 8.649 7.856 0.793 19142
1088 1 13 . 1 1 13 13 GLY N N 13 107.940 107.940 107.346 0.594 19142
1089 1 13 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.132 1.128 19142
1090 1 13 . 1 1 13 13 GLY H H 13 8.546 8.546 7.602 0.944 19142
1091 1 13 . 1 1 14 14 GLY N N 14 108.342 108.342 105.778 2.564 19142
1092 1 13 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.199 0.281 19142
1093 1 13 . 1 1 14 14 GLY H H 14 8.171 8.171 8.116 0.055 19142
1094 1 13 . 1 1 15 15 LYS N N 15 120.019 120.019 119.848 0.171 19142
1095 1 13 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.728 -0.350 19142
1096 1 13 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.074 0.800 19142
1097 1 13 . 1 1 15 15 LYS CB C 15 33.597 33.597 34.959 -1.362 19142
1098 1 13 . 1 1 15 15 LYS H H 15 7.709 7.709 7.826 -0.117 19142
1099 1 13 . 1 1 16 16 ALA N N 16 123.520 123.520 123.674 -0.154 19142
1100 1 13 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.578 0.068 19142
1101 1 13 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.456 -0.151 19142
1102 1 13 . 1 1 16 16 ALA H H 16 8.288 8.288 8.291 -0.003 19142
1103 1 13 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.685 0.185 19142
1104 1 13 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.881 10.070 19142
1105 1 13 . 1 1 17 17 CYS H H 17 8.916 8.916 8.312 0.604 19142
1106 1 13 . 1 1 18 18 ARG N N 18 122.376 122.376 122.557 -0.181 19142
1107 1 13 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.850 -0.039 19142
1108 1 13 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.757 1.888 19142
1109 1 13 . 1 1 18 18 ARG H H 18 8.546 8.546 8.470 0.076 19142
1110 1 13 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.083 0.528 19142
1111 1 13 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.514 1.057 19142
1112 1 13 . 1 1 19 19 GLU H H 19 8.997 8.997 7.715 1.282 19142
1113 1 13 . 1 1 20 20 VAL N N 20 123.513 123.513 122.351 1.162 19142
1114 1 13 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.278 0.404 19142
1115 1 13 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.279 0.087 19142
1116 1 13 . 1 1 20 20 VAL H H 20 8.581 8.581 8.128 0.453 19142
1117 1 13 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142
1118 1 13 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.335 -0.401 19142
1119 1 13 . 1 1 21 21 LYS H H 21 8.902 8.902 8.580 0.322 19142
1120 1 13 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.522 -0.131 19142
1121 1 13 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.436 9.234 19142
1122 1 13 . 1 1 22 22 CYS H H 22 8.986 8.986 8.679 0.307 19142
1123 1 13 . 1 1 23 23 LYS N N 23 122.935 122.935 123.982 -1.047 19142
1124 1 13 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.779 -0.204 19142
1125 1 13 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.169 -0.387 19142
1126 1 13 . 1 1 23 23 LYS H H 23 8.844 8.844 9.225 -0.381 19142
1127 1 13 . 1 1 24 24 THR N N 24 117.783 117.783 118.215 -0.432 19142
1128 1 13 . 1 1 24 24 THR HA H 24 4.494 4.494 4.298 0.196 19142
1129 1 13 . 1 1 24 24 THR CA C 24 62.443 62.443 63.846 -1.403 19142
1130 1 13 . 1 1 24 24 THR CB C 24 69.712 69.712 68.971 0.742 19142
1131 1 13 . 1 1 24 24 THR H H 24 8.518 8.518 8.390 0.128 19142
1132 1 14 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.715 0.024 19142
1133 1 14 . 1 1 2 2 LYS CB C 2 34.071 34.071 35.087 -1.016 19142
1134 1 14 . 1 1 2 2 LYS H H 2 8.713 8.713 8.245 0.468 19142
1135 1 14 . 1 1 3 3 SER N N 3 119.185 119.185 118.886 0.299 19142
1136 1 14 . 1 1 3 3 SER HA H 3 4.634 4.634 4.797 -0.163 19142
1137 1 14 . 1 1 3 3 SER CB C 3 64.237 64.237 64.564 -0.327 19142
1138 1 14 . 1 1 3 3 SER H H 3 8.714 8.714 8.408 0.306 19142
1139 1 14 . 1 1 4 4 CYS N N 4 123.655 123.655 125.216 -1.561 19142
1140 1 14 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.500 -0.196 19142
1141 1 14 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.224 10.821 19142
1142 1 14 . 1 1 4 4 CYS H H 4 8.709 8.709 8.903 -0.194 19142
1143 1 14 . 1 1 5 5 GLU N N 5 122.846 122.846 122.958 -0.112 19142
1144 1 14 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.668 -0.138 19142
1145 1 14 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.579 -0.225 19142
1146 1 14 . 1 1 5 5 GLU H H 5 8.754 8.754 9.117 -0.363 19142
1147 1 14 . 1 1 6 6 THR N N 6 117.072 117.072 115.732 1.340 19142
1148 1 14 . 1 1 6 6 THR HA H 6 4.837 4.837 5.038 -0.201 19142
1149 1 14 . 1 1 6 6 THR CB C 6 69.935 69.935 70.230 -0.295 19142
1150 1 14 . 1 1 6 6 THR H H 6 8.314 8.314 8.334 -0.020 19142
1151 1 14 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.979 -0.181 19142
1152 1 14 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.874 0.707 19142
1153 1 14 . 1 1 7 7 PHE H H 7 9.018 9.018 8.052 0.966 19142
1154 1 14 . 1 1 8 8 ILE N N 8 121.914 121.914 122.347 -0.433 19142
1155 1 14 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.141 -0.447 19142
1156 1 14 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.352 -0.369 19142
1157 1 14 . 1 1 8 8 ILE H H 8 8.542 8.542 8.392 0.150 19142
1158 1 14 . 1 1 9 9 VAL N N 9 125.551 125.551 124.193 1.358 19142
1159 1 14 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.652 -0.097 19142
1160 1 14 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.717 -0.595 19142
1161 1 14 . 1 1 9 9 VAL H H 9 8.714 8.714 8.087 0.627 19142
1162 1 14 . 1 1 10 10 ALA N N 10 126.210 126.210 123.662 2.548 19142
1163 1 14 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.787 -0.141 19142
1164 1 14 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.543 1.374 19142
1165 1 14 . 1 1 10 10 ALA H H 10 8.405 8.405 8.515 -0.110 19142
1166 1 14 . 1 1 11 11 CYS N N 11 120.017 120.017 120.968 -0.951 19142
1167 1 14 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.285 0.645 19142
1168 1 14 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.091 15.744 19142
1169 1 14 . 1 1 11 11 CYS H H 11 8.599 8.599 8.561 0.038 19142
1170 1 14 . 1 1 12 12 ASP N N 12 119.719 119.719 119.020 0.699 19142
1171 1 14 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.767 -0.317 19142
1172 1 14 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.884 0.962 19142
1173 1 14 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.665 -0.889 19142
1174 1 14 . 1 1 12 12 ASP H H 12 8.649 8.649 7.865 0.784 19142
1175 1 14 . 1 1 13 13 GLY N N 13 107.940 107.940 107.283 0.657 19142
1176 1 14 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.152 1.108 19142
1177 1 14 . 1 1 13 13 GLY H H 13 8.546 8.546 7.587 0.959 19142
1178 1 14 . 1 1 14 14 GLY N N 14 108.342 108.342 106.500 1.842 19142
1179 1 14 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.281 0.199 19142
1180 1 14 . 1 1 14 14 GLY H H 14 8.171 8.171 8.216 -0.045 19142
1181 1 14 . 1 1 15 15 LYS N N 15 120.019 120.019 119.697 0.322 19142
1182 1 14 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.677 -0.299 19142
1183 1 14 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.065 0.809 19142
1184 1 14 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.064 -1.467 19142
1185 1 14 . 1 1 15 15 LYS H H 15 7.709 7.709 7.788 -0.079 19142
1186 1 14 . 1 1 16 16 ALA N N 16 123.520 123.520 123.770 -0.250 19142
1187 1 14 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.611 0.035 19142
1188 1 14 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.329 -0.024 19142
1189 1 14 . 1 1 16 16 ALA H H 16 8.288 8.288 8.283 0.005 19142
1190 1 14 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.687 0.183 19142
1191 1 14 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.852 10.099 19142
1192 1 14 . 1 1 17 17 CYS H H 17 8.916 8.916 8.286 0.630 19142
1193 1 14 . 1 1 18 18 ARG N N 18 122.376 122.376 122.633 -0.257 19142
1194 1 14 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.798 0.013 19142
1195 1 14 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.789 1.856 19142
1196 1 14 . 1 1 18 18 ARG H H 18 8.546 8.546 8.481 0.065 19142
1197 1 14 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.087 0.524 19142
1198 1 14 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.534 1.037 19142
1199 1 14 . 1 1 19 19 GLU H H 19 8.997 8.997 7.714 1.283 19142
1200 1 14 . 1 1 20 20 VAL N N 20 123.513 123.513 122.428 1.085 19142
1201 1 14 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.260 0.422 19142
1202 1 14 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.210 0.156 19142
1203 1 14 . 1 1 20 20 VAL H H 20 8.581 8.581 8.130 0.451 19142
1204 1 14 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.770 -0.048 19142
1205 1 14 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.193 -0.259 19142
1206 1 14 . 1 1 21 21 LYS H H 21 8.902 8.902 8.545 0.357 19142
1207 1 14 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.454 -0.063 19142
1208 1 14 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.448 9.222 19142
1209 1 14 . 1 1 22 22 CYS H H 22 8.986 8.986 8.616 0.370 19142
1210 1 14 . 1 1 23 23 LYS N N 23 122.935 122.935 124.163 -1.228 19142
1211 1 14 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.825 -0.250 19142
1212 1 14 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.710 -0.928 19142
1213 1 14 . 1 1 23 23 LYS H H 23 8.844 8.844 9.143 -0.299 19142
1214 1 14 . 1 1 24 24 THR N N 24 117.783 117.783 117.966 -0.183 19142
1215 1 14 . 1 1 24 24 THR HA H 24 4.494 4.494 4.254 0.240 19142
1216 1 14 . 1 1 24 24 THR CA C 24 62.443 62.443 63.385 -0.942 19142
1217 1 14 . 1 1 24 24 THR CB C 24 69.712 69.712 69.444 0.268 19142
1218 1 14 . 1 1 24 24 THR H H 24 8.518 8.518 8.328 0.190 19142
1219 1 15 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.598 0.141 19142
1220 1 15 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.128 -0.057 19142
1221 1 15 . 1 1 2 2 LYS H H 2 8.713 8.713 8.224 0.489 19142
1222 1 15 . 1 1 3 3 SER N N 3 119.185 119.185 118.409 0.776 19142
1223 1 15 . 1 1 3 3 SER HA H 3 4.634 4.634 4.805 -0.171 19142
1224 1 15 . 1 1 3 3 SER CB C 3 64.237 64.237 64.335 -0.098 19142
1225 1 15 . 1 1 3 3 SER H H 3 8.714 8.714 8.346 0.368 19142
1226 1 15 . 1 1 4 4 CYS N N 4 123.655 123.655 124.168 -0.513 19142
1227 1 15 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.467 -0.163 19142
1228 1 15 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.775 10.270 19142
1229 1 15 . 1 1 4 4 CYS H H 4 8.709 8.709 8.916 -0.207 19142
1230 1 15 . 1 1 5 5 GLU N N 5 122.846 122.846 121.105 1.741 19142
1231 1 15 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.629 -0.099 19142
1232 1 15 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.159 0.195 19142
1233 1 15 . 1 1 5 5 GLU H H 5 8.754 8.754 9.112 -0.358 19142
1234 1 15 . 1 1 6 6 THR N N 6 117.072 117.072 115.114 1.958 19142
1235 1 15 . 1 1 6 6 THR HA H 6 4.837 4.837 5.116 -0.279 19142
1236 1 15 . 1 1 6 6 THR CB C 6 69.935 69.935 70.175 -0.240 19142
1237 1 15 . 1 1 6 6 THR H H 6 8.314 8.314 8.318 -0.004 19142
1238 1 15 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.928 -0.130 19142
1239 1 15 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.556 1.025 19142
1240 1 15 . 1 1 7 7 PHE H H 7 9.018 9.018 7.510 1.508 19142
1241 1 15 . 1 1 8 8 ILE N N 8 121.914 121.914 122.792 -0.878 19142
1242 1 15 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.111 -0.417 19142
1243 1 15 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.233 -0.250 19142
1244 1 15 . 1 1 8 8 ILE H H 8 8.542 8.542 8.432 0.110 19142
1245 1 15 . 1 1 9 9 VAL N N 9 125.551 125.551 124.127 1.424 19142
1246 1 15 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.645 -0.090 19142
1247 1 15 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.783 -0.661 19142
1248 1 15 . 1 1 9 9 VAL H H 9 8.714 8.714 8.057 0.657 19142
1249 1 15 . 1 1 10 10 ALA N N 10 126.210 126.210 123.561 2.649 19142
1250 1 15 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.737 -0.091 19142
1251 1 15 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.505 1.412 19142
1252 1 15 . 1 1 10 10 ALA H H 10 8.405 8.405 8.483 -0.078 19142
1253 1 15 . 1 1 11 11 CYS N N 11 120.017 120.017 121.363 -1.346 19142
1254 1 15 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.306 0.624 19142
1255 1 15 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.365 15.470 19142
1256 1 15 . 1 1 11 11 CYS H H 11 8.599 8.599 8.363 0.236 19142
1257 1 15 . 1 1 12 12 ASP N N 12 119.719 119.719 118.651 1.068 19142
1258 1 15 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.782 -0.332 19142
1259 1 15 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.997 0.849 19142
1260 1 15 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.828 -1.052 19142
1261 1 15 . 1 1 12 12 ASP H H 12 8.649 8.649 8.374 0.275 19142
1262 1 15 . 1 1 13 13 GLY N N 13 107.940 107.940 107.181 0.759 19142
1263 1 15 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.285 0.975 19142
1264 1 15 . 1 1 13 13 GLY H H 13 8.546 8.546 7.523 1.023 19142
1265 1 15 . 1 1 14 14 GLY N N 14 108.342 108.342 106.630 1.712 19142
1266 1 15 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.969 0.511 19142
1267 1 15 . 1 1 14 14 GLY H H 14 8.171 8.171 8.198 -0.027 19142
1268 1 15 . 1 1 15 15 LYS N N 15 120.019 120.019 120.403 -0.384 19142
1269 1 15 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.197 0.181 19142
1270 1 15 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.292 -0.418 19142
1271 1 15 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.916 0.681 19142
1272 1 15 . 1 1 15 15 LYS H H 15 7.709 7.709 7.902 -0.193 19142
1273 1 15 . 1 1 16 16 ALA N N 16 123.520 123.520 122.633 0.887 19142
1274 1 15 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.387 0.259 19142
1275 1 15 . 1 1 16 16 ALA CB C 16 19.305 19.305 18.982 0.323 19142
1276 1 15 . 1 1 16 16 ALA H H 16 8.288 8.288 8.198 0.090 19142
1277 1 15 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.649 0.221 19142
1278 1 15 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.695 10.256 19142
1279 1 15 . 1 1 17 17 CYS H H 17 8.916 8.916 8.564 0.352 19142
1280 1 15 . 1 1 18 18 ARG N N 18 122.376 122.376 122.668 -0.292 19142
1281 1 15 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.772 0.039 19142
1282 1 15 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.036 1.609 19142
1283 1 15 . 1 1 18 18 ARG H H 18 8.546 8.546 8.614 -0.068 19142
1284 1 15 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.258 0.353 19142
1285 1 15 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.697 0.874 19142
1286 1 15 . 1 1 19 19 GLU H H 19 8.997 8.997 7.831 1.166 19142
1287 1 15 . 1 1 20 20 VAL N N 20 123.513 123.513 124.457 -0.944 19142
1288 1 15 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.391 0.291 19142
1289 1 15 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.541 0.825 19142
1290 1 15 . 1 1 20 20 VAL H H 20 8.581 8.581 8.418 0.163 19142
1291 1 15 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.851 -0.129 19142
1292 1 15 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.873 -0.939 19142
1293 1 15 . 1 1 21 21 LYS H H 21 8.902 8.902 8.994 -0.092 19142
1294 1 15 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.487 -0.096 19142
1295 1 15 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.339 9.331 19142
1296 1 15 . 1 1 22 22 CYS H H 22 8.986 8.986 8.650 0.336 19142
1297 1 15 . 1 1 23 23 LYS N N 23 122.935 122.935 123.073 -0.138 19142
1298 1 15 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.756 -0.181 19142
1299 1 15 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.110 -0.328 19142
1300 1 15 . 1 1 23 23 LYS H H 23 8.844 8.844 9.286 -0.442 19142
1301 1 15 . 1 1 24 24 THR N N 24 117.783 117.783 115.260 2.523 19142
1302 1 15 . 1 1 24 24 THR HA H 24 4.494 4.494 4.434 0.060 19142
1303 1 15 . 1 1 24 24 THR CA C 24 62.443 62.443 61.941 0.502 19142
1304 1 15 . 1 1 24 24 THR CB C 24 69.712 69.712 69.255 0.457 19142
1305 1 15 . 1 1 24 24 THR H H 24 8.518 8.518 8.352 0.166 19142
1306 1 16 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.626 0.113 19142
1307 1 16 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.521 -0.450 19142
1308 1 16 . 1 1 2 2 LYS H H 2 8.713 8.713 8.244 0.469 19142
1309 1 16 . 1 1 3 3 SER N N 3 119.185 119.185 119.098 0.087 19142
1310 1 16 . 1 1 3 3 SER HA H 3 4.634 4.634 4.766 -0.132 19142
1311 1 16 . 1 1 3 3 SER CB C 3 64.237 64.237 64.172 0.065 19142
1312 1 16 . 1 1 3 3 SER H H 3 8.714 8.714 8.352 0.362 19142
1313 1 16 . 1 1 4 4 CYS N N 4 123.655 123.655 125.846 -2.191 19142
1314 1 16 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.458 -0.154 19142
1315 1 16 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.081 10.964 19142
1316 1 16 . 1 1 4 4 CYS H H 4 8.709 8.709 8.957 -0.248 19142
1317 1 16 . 1 1 5 5 GLU N N 5 122.846 122.846 122.462 0.384 19142
1318 1 16 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.714 -0.184 19142
1319 1 16 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.332 0.022 19142
1320 1 16 . 1 1 5 5 GLU H H 5 8.754 8.754 9.148 -0.394 19142
1321 1 16 . 1 1 6 6 THR N N 6 117.072 117.072 114.911 2.161 19142
1322 1 16 . 1 1 6 6 THR HA H 6 4.837 4.837 5.258 -0.421 19142
1323 1 16 . 1 1 6 6 THR CB C 6 69.935 69.935 70.460 -0.525 19142
1324 1 16 . 1 1 6 6 THR H H 6 8.314 8.314 8.327 -0.013 19142
1325 1 16 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.009 -0.211 19142
1326 1 16 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.159 0.422 19142
1327 1 16 . 1 1 7 7 PHE H H 7 9.018 9.018 7.972 1.046 19142
1328 1 16 . 1 1 8 8 ILE N N 8 121.914 121.914 122.564 -0.650 19142
1329 1 16 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.183 -0.489 19142
1330 1 16 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.384 -0.401 19142
1331 1 16 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142
1332 1 16 . 1 1 9 9 VAL N N 9 125.551 125.551 124.883 0.668 19142
1333 1 16 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.595 -0.040 19142
1334 1 16 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.336 -0.214 19142
1335 1 16 . 1 1 9 9 VAL H H 9 8.714 8.714 8.056 0.658 19142
1336 1 16 . 1 1 10 10 ALA N N 10 126.210 126.210 123.159 3.051 19142
1337 1 16 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.816 -0.170 19142
1338 1 16 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.662 1.255 19142
1339 1 16 . 1 1 10 10 ALA H H 10 8.405 8.405 8.432 -0.027 19142
1340 1 16 . 1 1 11 11 CYS N N 11 120.017 120.017 121.057 -1.040 19142
1341 1 16 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.301 0.629 19142
1342 1 16 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.088 15.747 19142
1343 1 16 . 1 1 11 11 CYS H H 11 8.599 8.599 8.545 0.054 19142
1344 1 16 . 1 1 12 12 ASP N N 12 119.719 119.719 119.246 0.473 19142
1345 1 16 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.773 -0.323 19142
1346 1 16 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.923 0.923 19142
1347 1 16 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.577 -0.800 19142
1348 1 16 . 1 1 12 12 ASP H H 12 8.649 8.649 7.852 0.797 19142
1349 1 16 . 1 1 13 13 GLY N N 13 107.940 107.940 107.345 0.595 19142
1350 1 16 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.163 1.097 19142
1351 1 16 . 1 1 13 13 GLY H H 13 8.546 8.546 7.581 0.965 19142
1352 1 16 . 1 1 14 14 GLY N N 14 108.342 108.342 106.469 1.873 19142
1353 1 16 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.270 0.210 19142
1354 1 16 . 1 1 14 14 GLY H H 14 8.171 8.171 8.213 -0.042 19142
1355 1 16 . 1 1 15 15 LYS N N 15 120.019 120.019 119.691 0.328 19142
1356 1 16 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.679 -0.301 19142
1357 1 16 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.076 0.798 19142
1358 1 16 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.163 -1.566 19142
1359 1 16 . 1 1 15 15 LYS H H 15 7.709 7.709 7.796 -0.087 19142
1360 1 16 . 1 1 16 16 ALA N N 16 123.520 123.520 123.686 -0.166 19142
1361 1 16 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.602 0.044 19142
1362 1 16 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.422 -0.117 19142
1363 1 16 . 1 1 16 16 ALA H H 16 8.288 8.288 8.277 0.011 19142
1364 1 16 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.686 0.184 19142
1365 1 16 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.945 10.006 19142
1366 1 16 . 1 1 17 17 CYS H H 17 8.916 8.916 8.330 0.586 19142
1367 1 16 . 1 1 18 18 ARG N N 18 122.376 122.376 122.099 0.277 19142
1368 1 16 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.834 -0.023 19142
1369 1 16 . 1 1 18 18 ARG CB C 18 31.645 31.645 30.098 1.548 19142
1370 1 16 . 1 1 18 18 ARG H H 18 8.546 8.546 8.509 0.037 19142
1371 1 16 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.126 0.485 19142
1372 1 16 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.604 0.967 19142
1373 1 16 . 1 1 19 19 GLU H H 19 8.997 8.997 7.742 1.256 19142
1374 1 16 . 1 1 20 20 VAL N N 20 123.513 123.513 122.711 0.802 19142
1375 1 16 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.533 0.149 19142
1376 1 16 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.578 -0.212 19142
1377 1 16 . 1 1 20 20 VAL H H 20 8.581 8.581 8.151 0.430 19142
1378 1 16 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.802 -0.080 19142
1379 1 16 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.632 -0.698 19142
1380 1 16 . 1 1 21 21 LYS H H 21 8.902 8.902 8.916 -0.014 19142
1381 1 16 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.381 0.010 19142
1382 1 16 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.915 9.755 19142
1383 1 16 . 1 1 22 22 CYS H H 22 8.986 8.986 8.572 0.414 19142
1384 1 16 . 1 1 23 23 LYS N N 23 122.935 122.935 123.322 -0.387 19142
1385 1 16 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.709 -0.134 19142
1386 1 16 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.318 -0.536 19142
1387 1 16 . 1 1 23 23 LYS H H 23 8.844 8.844 9.233 -0.389 19142
1388 1 16 . 1 1 24 24 THR N N 24 117.783 117.783 118.317 -0.534 19142
1389 1 16 . 1 1 24 24 THR HA H 24 4.494 4.494 4.410 0.084 19142
1390 1 16 . 1 1 24 24 THR CA C 24 62.443 62.443 62.416 0.027 19142
1391 1 16 . 1 1 24 24 THR CB C 24 69.712 69.712 69.142 0.570 19142
1392 1 16 . 1 1 24 24 THR H H 24 8.518 8.518 8.464 0.054 19142
1393 1 17 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.658 0.081 19142
1394 1 17 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.299 -0.228 19142
1395 1 17 . 1 1 2 2 LYS H H 2 8.713 8.713 8.248 0.465 19142
1396 1 17 . 1 1 3 3 SER N N 3 119.185 119.185 119.840 -0.655 19142
1397 1 17 . 1 1 3 3 SER HA H 3 4.634 4.634 4.777 -0.143 19142
1398 1 17 . 1 1 3 3 SER CB C 3 64.237 64.237 64.209 0.028 19142
1399 1 17 . 1 1 3 3 SER H H 3 8.714 8.714 8.348 0.366 19142
1400 1 17 . 1 1 4 4 CYS N N 4 123.655 123.655 125.327 -1.672 19142
1401 1 17 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.449 -0.145 19142
1402 1 17 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.322 10.723 19142
1403 1 17 . 1 1 4 4 CYS H H 4 8.709 8.709 8.954 -0.245 19142
1404 1 17 . 1 1 5 5 GLU N N 5 122.846 122.846 121.843 1.003 19142
1405 1 17 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.646 -0.116 19142
1406 1 17 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.240 0.114 19142
1407 1 17 . 1 1 5 5 GLU H H 5 8.754 8.754 9.107 -0.353 19142
1408 1 17 . 1 1 6 6 THR N N 6 117.072 117.072 114.971 2.101 19142
1409 1 17 . 1 1 6 6 THR HA H 6 4.837 4.837 4.994 -0.157 19142
1410 1 17 . 1 1 6 6 THR CB C 6 69.935 69.935 70.129 -0.194 19142
1411 1 17 . 1 1 6 6 THR H H 6 8.314 8.314 8.295 0.019 19142
1412 1 17 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.002 -0.204 19142
1413 1 17 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.315 1.266 19142
1414 1 17 . 1 1 7 7 PHE H H 7 9.018 9.018 7.641 1.377 19142
1415 1 17 . 1 1 8 8 ILE N N 8 121.914 121.914 122.956 -1.042 19142
1416 1 17 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.084 -0.390 19142
1417 1 17 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.116 -0.133 19142
1418 1 17 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142
1419 1 17 . 1 1 9 9 VAL N N 9 125.551 125.551 124.185 1.366 19142
1420 1 17 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.640 -0.085 19142
1421 1 17 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.777 -0.655 19142
1422 1 17 . 1 1 9 9 VAL H H 9 8.714 8.714 8.035 0.679 19142
1423 1 17 . 1 1 10 10 ALA N N 10 126.210 126.210 123.544 2.666 19142
1424 1 17 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.732 -0.086 19142
1425 1 17 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.508 1.409 19142
1426 1 17 . 1 1 10 10 ALA H H 10 8.405 8.405 8.480 -0.075 19142
1427 1 17 . 1 1 11 11 CYS N N 11 120.017 120.017 121.472 -1.455 19142
1428 1 17 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.303 0.627 19142
1429 1 17 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.442 15.393 19142
1430 1 17 . 1 1 11 11 CYS H H 11 8.599 8.599 8.323 0.276 19142
1431 1 17 . 1 1 12 12 ASP N N 12 119.719 119.719 119.811 -0.092 19142
1432 1 17 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.806 -0.356 19142
1433 1 17 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.058 0.788 19142
1434 1 17 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.383 -0.607 19142
1435 1 17 . 1 1 12 12 ASP H H 12 8.649 8.649 8.102 0.547 19142
1436 1 17 . 1 1 13 13 GLY N N 13 107.940 107.940 106.287 1.653 19142
1437 1 17 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.277 0.983 19142
1438 1 17 . 1 1 13 13 GLY H H 13 8.546 8.546 7.749 0.797 19142
1439 1 17 . 1 1 14 14 GLY N N 14 108.342 108.342 106.651 1.691 19142
1440 1 17 . 1 1 14 14 GLY CA C 14 45.480 45.480 44.974 0.506 19142
1441 1 17 . 1 1 14 14 GLY H H 14 8.171 8.171 8.196 -0.025 19142
1442 1 17 . 1 1 15 15 LYS N N 15 120.019 120.019 120.411 -0.392 19142
1443 1 17 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.197 0.181 19142
1444 1 17 . 1 1 15 15 LYS CA C 15 55.874 55.874 56.303 -0.429 19142
1445 1 17 . 1 1 15 15 LYS CB C 15 33.597 33.597 32.917 0.680 19142
1446 1 17 . 1 1 15 15 LYS H H 15 7.709 7.709 7.904 -0.195 19142
1447 1 17 . 1 1 16 16 ALA N N 16 123.520 123.520 122.615 0.905 19142
1448 1 17 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.388 0.258 19142
1449 1 17 . 1 1 16 16 ALA CB C 16 19.305 19.305 18.991 0.314 19142
1450 1 17 . 1 1 16 16 ALA H H 16 8.288 8.288 8.198 0.090 19142
1451 1 17 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.647 0.223 19142
1452 1 17 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.701 10.250 19142
1453 1 17 . 1 1 17 17 CYS H H 17 8.916 8.916 8.569 0.347 19142
1454 1 17 . 1 1 18 18 ARG N N 18 122.376 122.376 123.138 -0.762 19142
1455 1 17 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.762 0.049 19142
1456 1 17 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.851 1.794 19142
1457 1 17 . 1 1 18 18 ARG H H 18 8.546 8.546 8.583 -0.037 19142
1458 1 17 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.165 0.446 19142
1459 1 17 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.764 0.807 19142
1460 1 17 . 1 1 19 19 GLU H H 19 8.997 8.997 7.687 1.310 19142
1461 1 17 . 1 1 20 20 VAL N N 20 123.513 123.513 124.965 -1.452 19142
1462 1 17 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.310 0.372 19142
1463 1 17 . 1 1 20 20 VAL CB C 20 33.366 33.366 32.521 0.845 19142
1464 1 17 . 1 1 20 20 VAL H H 20 8.581 8.581 8.398 0.183 19142
1465 1 17 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.875 -0.153 19142
1466 1 17 . 1 1 21 21 LYS CB C 21 34.934 34.934 36.236 -1.302 19142
1467 1 17 . 1 1 21 21 LYS H H 21 8.902 8.902 8.885 0.017 19142
1468 1 17 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.353 0.038 19142
1469 1 17 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.939 9.731 19142
1470 1 17 . 1 1 22 22 CYS H H 22 8.986 8.986 8.514 0.472 19142
1471 1 17 . 1 1 23 23 LYS N N 23 122.935 122.935 123.551 -0.616 19142
1472 1 17 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.705 -0.131 19142
1473 1 17 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.336 -0.554 19142
1474 1 17 . 1 1 23 23 LYS H H 23 8.844 8.844 9.222 -0.378 19142
1475 1 17 . 1 1 24 24 THR N N 24 117.783 117.783 118.553 -0.770 19142
1476 1 17 . 1 1 24 24 THR HA H 24 4.494 4.494 4.465 0.029 19142
1477 1 17 . 1 1 24 24 THR CA C 24 62.443 62.443 62.198 0.245 19142
1478 1 17 . 1 1 24 24 THR CB C 24 69.712 69.712 69.197 0.515 19142
1479 1 17 . 1 1 24 24 THR H H 24 8.518 8.518 8.458 0.060 19142
1480 1 18 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.440 0.299 19142
1481 1 18 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.758 0.313 19142
1482 1 18 . 1 1 2 2 LYS H H 2 8.713 8.713 8.299 0.414 19142
1483 1 18 . 1 1 3 3 SER N N 3 119.185 119.185 119.027 0.158 19142
1484 1 18 . 1 1 3 3 SER HA H 3 4.634 4.634 4.780 -0.146 19142
1485 1 18 . 1 1 3 3 SER CB C 3 64.237 64.237 64.067 0.170 19142
1486 1 18 . 1 1 3 3 SER H H 3 8.714 8.714 8.294 0.420 19142
1487 1 18 . 1 1 4 4 CYS N N 4 123.655 123.655 125.600 -1.945 19142
1488 1 18 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.505 -0.201 19142
1489 1 18 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.012 11.033 19142
1490 1 18 . 1 1 4 4 CYS H H 4 8.709 8.709 8.976 -0.267 19142
1491 1 18 . 1 1 5 5 GLU N N 5 122.846 122.846 123.239 -0.393 19142
1492 1 18 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.724 -0.194 19142
1493 1 18 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.636 -0.282 19142
1494 1 18 . 1 1 5 5 GLU H H 5 8.754 8.754 9.150 -0.396 19142
1495 1 18 . 1 1 6 6 THR N N 6 117.072 117.072 115.131 1.941 19142
1496 1 18 . 1 1 6 6 THR HA H 6 4.837 4.837 5.151 -0.314 19142
1497 1 18 . 1 1 6 6 THR CB C 6 69.935 69.935 70.135 -0.201 19142
1498 1 18 . 1 1 6 6 THR H H 6 8.314 8.314 8.301 0.013 19142
1499 1 18 . 1 1 7 7 PHE HA H 7 4.798 4.798 5.043 -0.245 19142
1500 1 18 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.590 0.991 19142
1501 1 18 . 1 1 7 7 PHE H H 7 9.018 9.018 7.863 1.155 19142
1502 1 18 . 1 1 8 8 ILE N N 8 121.914 121.914 122.327 -0.413 19142
1503 1 18 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.164 -0.470 19142
1504 1 18 . 1 1 8 8 ILE CB C 8 37.983 37.983 37.960 0.023 19142
1505 1 18 . 1 1 8 8 ILE H H 8 8.542 8.542 8.422 0.120 19142
1506 1 18 . 1 1 9 9 VAL N N 9 125.551 125.551 123.447 2.104 19142
1507 1 18 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.667 -0.112 19142
1508 1 18 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.905 -0.783 19142
1509 1 18 . 1 1 9 9 VAL H H 9 8.714 8.714 8.013 0.701 19142
1510 1 18 . 1 1 10 10 ALA N N 10 126.210 126.210 123.319 2.891 19142
1511 1 18 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.849 -0.203 19142
1512 1 18 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.558 1.359 19142
1513 1 18 . 1 1 10 10 ALA H H 10 8.405 8.405 8.534 -0.129 19142
1514 1 18 . 1 1 11 11 CYS N N 11 120.017 120.017 120.919 -0.902 19142
1515 1 18 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.309 0.621 19142
1516 1 18 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.097 15.738 19142
1517 1 18 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142
1518 1 18 . 1 1 12 12 ASP N N 12 119.719 119.719 119.091 0.628 19142
1519 1 18 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.785 -0.335 19142
1520 1 18 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.287 0.559 19142
1521 1 18 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.760 -0.984 19142
1522 1 18 . 1 1 12 12 ASP H H 12 8.649 8.649 7.931 0.718 19142
1523 1 18 . 1 1 13 13 GLY N N 13 107.940 107.940 107.876 0.064 19142
1524 1 18 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.298 0.962 19142
1525 1 18 . 1 1 13 13 GLY H H 13 8.546 8.546 7.550 0.996 19142
1526 1 18 . 1 1 14 14 GLY N N 14 108.342 108.342 105.891 2.451 19142
1527 1 18 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.203 0.277 19142
1528 1 18 . 1 1 14 14 GLY H H 14 8.171 8.171 8.128 0.043 19142
1529 1 18 . 1 1 15 15 LYS N N 15 120.019 120.019 119.776 0.243 19142
1530 1 18 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.720 -0.342 19142
1531 1 18 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.101 0.773 19142
1532 1 18 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.129 -1.532 19142
1533 1 18 . 1 1 15 15 LYS H H 15 7.709 7.709 7.828 -0.119 19142
1534 1 18 . 1 1 16 16 ALA N N 16 123.520 123.520 123.679 -0.159 19142
1535 1 18 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.579 0.067 19142
1536 1 18 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.452 -0.147 19142
1537 1 18 . 1 1 16 16 ALA H H 16 8.288 8.288 8.294 -0.006 19142
1538 1 18 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.688 0.182 19142
1539 1 18 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.939 10.012 19142
1540 1 18 . 1 1 17 17 CYS H H 17 8.916 8.916 8.297 0.619 19142
1541 1 18 . 1 1 18 18 ARG N N 18 122.376 122.376 122.576 -0.200 19142
1542 1 18 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.861 -0.050 19142
1543 1 18 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.726 1.919 19142
1544 1 18 . 1 1 18 18 ARG H H 18 8.546 8.546 8.469 0.077 19142
1545 1 18 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.099 0.512 19142
1546 1 18 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.447 1.124 19142
1547 1 18 . 1 1 19 19 GLU H H 19 8.997 8.997 7.775 1.222 19142
1548 1 18 . 1 1 20 20 VAL N N 20 123.513 123.513 122.058 1.455 19142
1549 1 18 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.380 0.302 19142
1550 1 18 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.226 0.140 19142
1551 1 18 . 1 1 20 20 VAL H H 20 8.581 8.581 8.143 0.438 19142
1552 1 18 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142
1553 1 18 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.174 -0.240 19142
1554 1 18 . 1 1 21 21 LYS H H 21 8.902 8.902 8.796 0.106 19142
1555 1 18 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.413 -0.022 19142
1556 1 18 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.203 9.467 19142
1557 1 18 . 1 1 22 22 CYS H H 22 8.986 8.986 8.573 0.413 19142
1558 1 18 . 1 1 23 23 LYS N N 23 122.935 122.935 124.816 -1.881 19142
1559 1 18 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.814 -0.239 19142
1560 1 18 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.568 -0.786 19142
1561 1 18 . 1 1 23 23 LYS H H 23 8.844 8.844 9.241 -0.397 19142
1562 1 18 . 1 1 24 24 THR N N 24 117.783 117.783 117.625 0.158 19142
1563 1 18 . 1 1 24 24 THR HA H 24 4.494 4.494 4.248 0.246 19142
1564 1 18 . 1 1 24 24 THR CA C 24 62.443 62.443 63.221 -0.778 19142
1565 1 18 . 1 1 24 24 THR CB C 24 69.712 69.712 69.317 0.395 19142
1566 1 18 . 1 1 24 24 THR H H 24 8.518 8.518 8.358 0.160 19142
1567 1 19 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.556 0.183 19142
1568 1 19 . 1 1 2 2 LYS CB C 2 34.071 34.071 33.687 0.384 19142
1569 1 19 . 1 1 2 2 LYS H H 2 8.713 8.713 8.266 0.447 19142
1570 1 19 . 1 1 3 3 SER N N 3 119.185 119.185 119.373 -0.188 19142
1571 1 19 . 1 1 3 3 SER HA H 3 4.634 4.634 4.752 -0.118 19142
1572 1 19 . 1 1 3 3 SER CB C 3 64.237 64.237 64.870 -0.633 19142
1573 1 19 . 1 1 3 3 SER H H 3 8.714 8.714 8.375 0.339 19142
1574 1 19 . 1 1 4 4 CYS N N 4 123.655 123.655 124.287 -0.632 19142
1575 1 19 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.439 -0.135 19142
1576 1 19 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.455 10.590 19142
1577 1 19 . 1 1 4 4 CYS H H 4 8.709 8.709 8.828 -0.119 19142
1578 1 19 . 1 1 5 5 GLU N N 5 122.846 122.846 122.774 0.072 19142
1579 1 19 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.720 -0.190 19142
1580 1 19 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.558 -0.204 19142
1581 1 19 . 1 1 5 5 GLU H H 5 8.754 8.754 9.121 -0.367 19142
1582 1 19 . 1 1 6 6 THR N N 6 117.072 117.072 115.232 1.840 19142
1583 1 19 . 1 1 6 6 THR HA H 6 4.837 4.837 5.165 -0.328 19142
1584 1 19 . 1 1 6 6 THR CB C 6 69.935 69.935 70.322 -0.387 19142
1585 1 19 . 1 1 6 6 THR H H 6 8.314 8.314 8.346 -0.032 19142
1586 1 19 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.974 -0.176 19142
1587 1 19 . 1 1 7 7 PHE CB C 7 41.581 41.581 41.149 0.432 19142
1588 1 19 . 1 1 7 7 PHE H H 7 9.018 9.018 8.012 1.006 19142
1589 1 19 . 1 1 8 8 ILE N N 8 121.914 121.914 123.024 -1.110 19142
1590 1 19 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.152 -0.458 19142
1591 1 19 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.094 -0.112 19142
1592 1 19 . 1 1 8 8 ILE H H 8 8.542 8.542 8.437 0.105 19142
1593 1 19 . 1 1 9 9 VAL N N 9 125.551 125.551 124.924 0.627 19142
1594 1 19 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.585 -0.030 19142
1595 1 19 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.358 -0.236 19142
1596 1 19 . 1 1 9 9 VAL H H 9 8.714 8.714 8.048 0.666 19142
1597 1 19 . 1 1 10 10 ALA N N 10 126.210 126.210 123.148 3.062 19142
1598 1 19 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.802 -0.156 19142
1599 1 19 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.636 1.281 19142
1600 1 19 . 1 1 10 10 ALA H H 10 8.405 8.405 8.426 -0.021 19142
1601 1 19 . 1 1 11 11 CYS N N 11 120.017 120.017 121.006 -0.989 19142
1602 1 19 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.310 0.620 19142
1603 1 19 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.145 15.691 19142
1604 1 19 . 1 1 11 11 CYS H H 11 8.599 8.599 8.528 0.071 19142
1605 1 19 . 1 1 12 12 ASP N N 12 119.719 119.719 119.081 0.638 19142
1606 1 19 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.706 -0.256 19142
1607 1 19 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.448 0.398 19142
1608 1 19 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.678 -0.902 19142
1609 1 19 . 1 1 12 12 ASP H H 12 8.649 8.649 8.063 0.586 19142
1610 1 19 . 1 1 13 13 GLY N N 13 107.940 107.940 107.589 0.351 19142
1611 1 19 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.162 1.098 19142
1612 1 19 . 1 1 13 13 GLY H H 13 8.546 8.546 8.135 0.411 19142
1613 1 19 . 1 1 14 14 GLY N N 14 108.342 108.342 106.576 1.766 19142
1614 1 19 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.307 0.173 19142
1615 1 19 . 1 1 14 14 GLY H H 14 8.171 8.171 8.233 -0.062 19142
1616 1 19 . 1 1 15 15 LYS N N 15 120.019 120.019 119.673 0.346 19142
1617 1 19 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.675 -0.297 19142
1618 1 19 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.059 0.815 19142
1619 1 19 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.014 -1.417 19142
1620 1 19 . 1 1 15 15 LYS H H 15 7.709 7.709 7.776 -0.067 19142
1621 1 19 . 1 1 16 16 ALA N N 16 123.520 123.520 123.728 -0.208 19142
1622 1 19 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.619 0.027 19142
1623 1 19 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.379 -0.074 19142
1624 1 19 . 1 1 16 16 ALA H H 16 8.288 8.288 8.275 0.013 19142
1625 1 19 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.690 0.180 19142
1626 1 19 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.828 10.123 19142
1627 1 19 . 1 1 17 17 CYS H H 17 8.916 8.916 8.299 0.617 19142
1628 1 19 . 1 1 18 18 ARG N N 18 122.376 122.376 122.602 -0.226 19142
1629 1 19 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.812 -0.001 19142
1630 1 19 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.783 1.862 19142
1631 1 19 . 1 1 18 18 ARG H H 18 8.546 8.546 8.478 0.068 19142
1632 1 19 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.126 0.485 19142
1633 1 19 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.514 1.057 19142
1634 1 19 . 1 1 19 19 GLU H H 19 8.997 8.997 7.724 1.273 19142
1635 1 19 . 1 1 20 20 VAL N N 20 123.513 123.513 122.445 1.068 19142
1636 1 19 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.473 0.209 19142
1637 1 19 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.644 -0.278 19142
1638 1 19 . 1 1 20 20 VAL H H 20 8.581 8.581 8.146 0.435 19142
1639 1 19 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.781 -0.059 19142
1640 1 19 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.629 -0.695 19142
1641 1 19 . 1 1 21 21 LYS H H 21 8.902 8.902 8.854 0.048 19142
1642 1 19 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.454 -0.063 19142
1643 1 19 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.172 9.498 19142
1644 1 19 . 1 1 22 22 CYS H H 22 8.986 8.986 8.573 0.413 19142
1645 1 19 . 1 1 23 23 LYS N N 23 122.935 122.935 124.633 -1.698 19142
1646 1 19 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.807 -0.232 19142
1647 1 19 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.529 -0.747 19142
1648 1 19 . 1 1 23 23 LYS H H 23 8.844 8.844 9.215 -0.371 19142
1649 1 19 . 1 1 24 24 THR N N 24 117.783 117.783 117.054 0.729 19142
1650 1 19 . 1 1 24 24 THR HA H 24 4.494 4.494 4.395 0.099 19142
1651 1 19 . 1 1 24 24 THR CA C 24 62.443 62.443 62.712 -0.269 19142
1652 1 19 . 1 1 24 24 THR CB C 24 69.712 69.712 69.252 0.460 19142
1653 1 19 . 1 1 24 24 THR H H 24 8.518 8.518 8.354 0.164 19142
1654 1 20 . 1 1 2 2 LYS HA H 2 4.739 4.739 4.643 0.096 19142
1655 1 20 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.601 -0.530 19142
1656 1 20 . 1 1 2 2 LYS H H 2 8.713 8.713 8.233 0.480 19142
1657 1 20 . 1 1 3 3 SER N N 3 119.185 119.185 119.712 -0.527 19142
1658 1 20 . 1 1 3 3 SER HA H 3 4.634 4.634 4.735 -0.101 19142
1659 1 20 . 1 1 3 3 SER CB C 3 64.237 64.237 63.886 0.351 19142
1660 1 20 . 1 1 3 3 SER H H 3 8.714 8.714 8.368 0.346 19142
1661 1 20 . 1 1 4 4 CYS N N 4 123.655 123.655 126.063 -2.408 19142
1662 1 20 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.524 -0.220 19142
1663 1 20 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.343 10.702 19142
1664 1 20 . 1 1 4 4 CYS H H 4 8.709 8.709 8.916 -0.207 19142
1665 1 20 . 1 1 5 5 GLU N N 5 122.846 122.846 123.385 -0.539 19142
1666 1 20 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.697 -0.167 19142
1667 1 20 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.670 -0.316 19142
1668 1 20 . 1 1 5 5 GLU H H 5 8.754 8.754 9.175 -0.421 19142
1669 1 20 . 1 1 6 6 THR N N 6 117.072 117.072 116.365 0.707 19142
1670 1 20 . 1 1 6 6 THR HA H 6 4.837 4.837 5.108 -0.271 19142
1671 1 20 . 1 1 6 6 THR CB C 6 69.935 69.935 69.946 -0.011 19142
1672 1 20 . 1 1 6 6 THR H H 6 8.314 8.314 8.384 -0.070 19142
1673 1 20 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.959 -0.161 19142
1674 1 20 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.917 0.664 19142
1675 1 20 . 1 1 7 7 PHE H H 7 9.018 9.018 8.043 0.975 19142
1676 1 20 . 1 1 8 8 ILE N N 8 121.914 121.914 122.613 -0.699 19142
1677 1 20 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.171 -0.477 19142
1678 1 20 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.324 -0.341 19142
1679 1 20 . 1 1 8 8 ILE H H 8 8.542 8.542 8.435 0.107 19142
1680 1 20 . 1 1 9 9 VAL N N 9 125.551 125.551 124.846 0.705 19142
1681 1 20 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.592 -0.037 19142
1682 1 20 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.364 -0.242 19142
1683 1 20 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142
1684 1 20 . 1 1 10 10 ALA N N 10 126.210 126.210 123.131 3.079 19142
1685 1 20 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.815 -0.169 19142
1686 1 20 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.652 1.265 19142
1687 1 20 . 1 1 10 10 ALA H H 10 8.405 8.405 8.434 -0.029 19142
1688 1 20 . 1 1 11 11 CYS N N 11 120.017 120.017 120.865 -0.848 19142
1689 1 20 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.311 0.619 19142
1690 1 20 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.133 15.702 19142
1691 1 20 . 1 1 11 11 CYS H H 11 8.599 8.599 8.548 0.051 19142
1692 1 20 . 1 1 12 12 ASP N N 12 119.719 119.719 119.047 0.672 19142
1693 1 20 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.752 -0.302 19142
1694 1 20 . 1 1 12 12 ASP CA C 12 54.846 54.846 54.246 0.600 19142
1695 1 20 . 1 1 12 12 ASP CB C 12 39.776 39.776 41.026 -1.250 19142
1696 1 20 . 1 1 12 12 ASP H H 12 8.649 8.649 8.308 0.341 19142
1697 1 20 . 1 1 13 13 GLY N N 13 107.940 107.940 107.572 0.368 19142
1698 1 20 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.257 1.003 19142
1699 1 20 . 1 1 13 13 GLY H H 13 8.546 8.546 8.185 0.361 19142
1700 1 20 . 1 1 14 14 GLY N N 14 108.342 108.342 106.530 1.812 19142
1701 1 20 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.278 0.202 19142
1702 1 20 . 1 1 14 14 GLY H H 14 8.171 8.171 8.221 -0.050 19142
1703 1 20 . 1 1 15 15 LYS N N 15 120.019 120.019 119.643 0.376 19142
1704 1 20 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.681 -0.303 19142
1705 1 20 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.058 0.816 19142
1706 1 20 . 1 1 15 15 LYS CB C 15 33.597 33.597 35.103 -1.506 19142
1707 1 20 . 1 1 15 15 LYS H H 15 7.709 7.709 7.783 -0.074 19142
1708 1 20 . 1 1 16 16 ALA N N 16 123.520 123.520 123.699 -0.179 19142
1709 1 20 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.613 0.033 19142
1710 1 20 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.450 -0.145 19142
1711 1 20 . 1 1 16 16 ALA H H 16 8.288 8.288 8.276 0.012 19142
1712 1 20 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.691 0.179 19142
1713 1 20 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.862 10.089 19142
1714 1 20 . 1 1 17 17 CYS H H 17 8.916 8.916 8.307 0.609 19142
1715 1 20 . 1 1 18 18 ARG N N 18 122.376 122.376 122.476 -0.100 19142
1716 1 20 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.853 -0.042 19142
1717 1 20 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.762 1.883 19142
1718 1 20 . 1 1 18 18 ARG H H 18 8.546 8.546 8.466 0.080 19142
1719 1 20 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.124 0.487 19142
1720 1 20 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.494 1.077 19142
1721 1 20 . 1 1 19 19 GLU H H 19 8.997 8.997 7.706 1.291 19142
1722 1 20 . 1 1 20 20 VAL N N 20 123.513 123.513 122.614 0.899 19142
1723 1 20 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.248 0.434 19142
1724 1 20 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.732 -0.366 19142
1725 1 20 . 1 1 20 20 VAL H H 20 8.581 8.581 8.155 0.426 19142
1726 1 20 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.753 -0.031 19142
1727 1 20 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.526 -0.592 19142
1728 1 20 . 1 1 21 21 LYS H H 21 8.902 8.902 8.440 0.462 19142
1729 1 20 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.476 -0.085 19142
1730 1 20 . 1 1 22 22 CYS CB C 22 39.670 39.670 29.634 10.036 19142
1731 1 20 . 1 1 22 22 CYS H H 22 8.986 8.986 8.565 0.421 19142
1732 1 20 . 1 1 23 23 LYS N N 23 122.935 122.935 123.526 -0.591 19142
1733 1 20 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.686 -0.111 19142
1734 1 20 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.158 -0.376 19142
1735 1 20 . 1 1 23 23 LYS H H 23 8.844 8.844 9.213 -0.369 19142
1736 1 20 . 1 1 24 24 THR N N 24 117.783 117.783 115.710 2.073 19142
1737 1 20 . 1 1 24 24 THR HA H 24 4.494 4.494 4.312 0.182 19142
1738 1 20 . 1 1 24 24 THR CA C 24 62.443 62.443 62.575 -0.132 19142
1739 1 20 . 1 1 24 24 THR CB C 24 69.712 69.712 69.297 0.415 19142
1740 1 20 . 1 1 24 24 THR H H 24 8.518 8.518 8.381 0.137 19142
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 17 1.461 -0.634 1.357 19142
2 1 1 "Average Difference" HA 25 0.274 -0.012 0.280 19142
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19142
4 1 1 "Average Difference" CA 5 0.870 -0.815 0.341 19142
5 1 1 "Average Difference" CB 21 5.197 -2.212 4.819 19142
6 1 1 "Average Difference" HN 23 0.561 -0.270 0.502 19142
7 1 2 "Average Difference" N 17 1.437 -0.175 1.470 19142
8 1 2 "Average Difference" HA 25 0.266 -0.035 0.269 19142
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19142
10 1 2 "Average Difference" CA 5 0.680 -0.355 0.648 19142
11 1 2 "Average Difference" CB 21 5.195 -2.360 4.742 19142
12 1 2 "Average Difference" HN 23 0.542 -0.233 0.500 19142
13 1 3 "Average Difference" N 17 1.386 -0.353 1.381 19142
14 1 3 "Average Difference" HA 25 0.268 -0.019 0.273 19142
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19142
16 1 3 "Average Difference" CA 5 0.724 -0.486 0.601 19142
17 1 3 "Average Difference" CB 21 5.210 -2.255 4.813 19142
18 1 3 "Average Difference" HN 23 0.500 -0.264 0.435 19142
19 1 4 "Average Difference" N 17 1.409 -0.555 1.335 19142
20 1 4 "Average Difference" HA 25 0.267 -0.009 0.273 19142
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19142
22 1 4 "Average Difference" CA 5 0.740 -0.511 0.599 19142
23 1 4 "Average Difference" CB 21 5.232 -2.356 4.787 19142
24 1 4 "Average Difference" HN 23 0.501 -0.257 0.440 19142
25 1 5 "Average Difference" N 17 1.588 -0.219 1.621 19142
26 1 5 "Average Difference" HA 25 0.279 -0.025 0.283 19142
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19142
28 1 5 "Average Difference" CA 5 0.787 -0.669 0.464 19142
29 1 5 "Average Difference" CB 21 5.303 -2.295 4.899 19142
30 1 5 "Average Difference" HN 23 0.559 -0.280 0.494 19142
31 1 6 "Average Difference" N 17 1.259 -0.349 1.247 19142
32 1 6 "Average Difference" HA 25 0.285 -0.027 0.290 19142
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19142
34 1 6 "Average Difference" CA 5 0.757 -0.686 0.360 19142
35 1 6 "Average Difference" CB 21 5.203 -2.244 4.810 19142
36 1 6 "Average Difference" HN 23 0.524 -0.236 0.478 19142
37 1 7 "Average Difference" N 17 1.347 -0.313 1.350 19142
38 1 7 "Average Difference" HA 25 0.273 -0.009 0.279 19142
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19142
40 1 7 "Average Difference" CA 5 0.767 -0.168 0.837 19142
41 1 7 "Average Difference" CB 21 5.085 -2.318 4.638 19142
42 1 7 "Average Difference" HN 23 0.506 -0.253 0.449 19142
43 1 8 "Average Difference" N 17 1.370 -0.545 1.296 19142
44 1 8 "Average Difference" HA 25 0.267 -0.008 0.272 19142
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19142
46 1 8 "Average Difference" CA 5 0.724 -0.568 0.501 19142
47 1 8 "Average Difference" CB 21 5.241 -2.410 4.769 19142
48 1 8 "Average Difference" HN 23 0.500 -0.252 0.441 19142
49 1 9 "Average Difference" N 17 1.346 -0.417 1.319 19142
50 1 9 "Average Difference" HA 25 0.261 0.011 0.266 19142
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19142
52 1 9 "Average Difference" CA 5 0.676 -0.656 0.186 19142
53 1 9 "Average Difference" CB 21 5.192 -2.141 4.846 19142
54 1 9 "Average Difference" HN 23 0.520 -0.272 0.453 19142
55 1 10 "Average Difference" N 17 1.379 -0.495 1.327 19142
56 1 10 "Average Difference" HA 25 0.263 -0.004 0.268 19142
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19142
58 1 10 "Average Difference" CA 5 0.583 -0.438 0.431 19142
59 1 10 "Average Difference" CB 21 5.130 -2.319 4.688 19142
60 1 10 "Average Difference" HN 23 0.499 -0.260 0.436 19142
61 1 11 "Average Difference" N 17 1.417 -0.177 1.449 19142
62 1 11 "Average Difference" HA 25 0.288 0.014 0.293 19142
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 19142
64 1 11 "Average Difference" CA 5 0.894 -0.407 0.891 19142
65 1 11 "Average Difference" CB 21 5.143 -2.247 4.741 19142
66 1 11 "Average Difference" HN 23 0.527 -0.224 0.488 19142
67 1 12 "Average Difference" N 17 1.378 -0.660 1.247 19142
68 1 12 "Average Difference" HA 25 0.274 0.031 0.278 19142
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 19142
70 1 12 "Average Difference" CA 5 0.957 -0.898 0.368 19142
71 1 12 "Average Difference" CB 21 5.230 -2.227 4.849 19142
72 1 12 "Average Difference" HN 23 0.522 -0.281 0.450 19142
73 1 13 "Average Difference" N 17 1.216 -0.493 1.146 19142
74 1 13 "Average Difference" HA 25 0.286 0.031 0.290 19142
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 19142
76 1 13 "Average Difference" CA 5 0.994 -0.360 1.036 19142
77 1 13 "Average Difference" CB 21 5.172 -2.212 4.790 19142
78 1 13 "Average Difference" HN 23 0.521 -0.283 0.447 19142
79 1 14 "Average Difference" N 17 1.112 -0.304 1.103 19142
80 1 14 "Average Difference" HA 25 0.278 0.021 0.283 19142
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 19142
82 1 14 "Average Difference" CA 5 0.864 -0.427 0.840 19142
83 1 14 "Average Difference" CB 21 5.185 -2.138 4.841 19142
84 1 14 "Average Difference" HN 23 0.512 -0.284 0.435 19142
85 1 15 "Average Difference" N 17 1.378 -0.647 1.255 19142
86 1 15 "Average Difference" HA 25 0.244 -0.027 0.247 19142
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 19142
88 1 15 "Average Difference" CA 5 0.687 -0.484 0.545 19142
89 1 15 "Average Difference" CB 21 5.106 -2.338 4.652 19142
90 1 15 "Average Difference" HN 23 0.526 -0.238 0.479 19142
91 1 16 "Average Difference" N 17 1.243 -0.337 1.233 19142
92 1 16 "Average Difference" HA 25 0.269 0.041 0.272 19142
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 19142
94 1 16 "Average Difference" CA 5 0.740 -0.611 0.466 19142
95 1 16 "Average Difference" CB 21 5.226 -2.181 4.866 19142
96 1 16 "Average Difference" HN 23 0.516 -0.262 0.454 19142
97 1 17 "Average Difference" N 17 1.352 -0.146 1.385 19142
98 1 17 "Average Difference" HA 25 0.250 -0.044 0.252 19142
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 19142
100 1 17 "Average Difference" CA 5 0.646 -0.418 0.550 19142
101 1 17 "Average Difference" CB 21 5.181 -2.390 4.710 19142
102 1 17 "Average Difference" HN 23 0.520 -0.252 0.464 19142
103 1 18 "Average Difference" N 17 1.408 -0.365 1.402 19142
104 1 18 "Average Difference" HA 25 0.287 0.028 0.291 19142
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 19142
106 1 18 "Average Difference" CA 5 0.710 -0.359 0.684 19142
107 1 18 "Average Difference" CB 21 5.219 -2.273 4.815 19142
108 1 18 "Average Difference" HN 23 0.527 -0.277 0.459 19142
109 1 19 "Average Difference" N 17 1.194 -0.320 1.185 19142
110 1 19 "Average Difference" HA 25 0.265 0.031 0.269 19142
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 19142
112 1 19 "Average Difference" CA 5 0.653 -0.443 0.536 19142
113 1 19 "Average Difference" CB 21 5.175 -2.176 4.811 19142
114 1 19 "Average Difference" HN 23 0.466 -0.244 0.405 19142
115 1 20 "Average Difference" N 17 1.273 -0.282 1.280 19142
116 1 20 "Average Difference" HA 25 0.270 0.025 0.275 19142
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 19142
118 1 20 "Average Difference" CA 5 0.647 -0.498 0.461 19142
119 1 20 "Average Difference" CB 21 5.236 -2.215 4.861 19142
120 1 20 "Average Difference" HN 23 0.467 -0.241 0.409 19142
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 19142
_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 LYS HA H 2 4.739 4.739 4.631 0.108 19142
2 1 . 1 1 2 2 LYS CB C 2 34.071 34.071 34.333 -0.262 19142
3 1 . 1 1 2 2 LYS H H 2 8.713 8.713 8.242 0.471 19142
4 1 . 1 1 3 3 SER N N 3 119.185 119.185 118.857 0.328 19142
5 1 . 1 1 3 3 SER HA H 3 4.634 4.634 4.769 -0.135 19142
6 1 . 1 1 3 3 SER CB C 3 64.237 64.237 64.450 -0.213 19142
7 1 . 1 1 3 3 SER H H 3 8.714 8.714 8.365 0.349 19142
8 1 . 1 1 4 4 CYS N N 4 123.655 123.655 124.755 -1.100 19142
9 1 . 1 1 4 4 CYS HA H 4 5.304 5.304 5.505 -0.202 19142
10 1 . 1 1 4 4 CYS CB C 4 42.045 42.045 31.361 10.684 19142
11 1 . 1 1 4 4 CYS H H 4 8.709 8.709 8.901 -0.192 19142
12 1 . 1 1 5 5 GLU N N 5 122.846 122.846 122.576 0.270 19142
13 1 . 1 1 5 5 GLU HA H 5 4.530 4.530 4.683 -0.153 19142
14 1 . 1 1 5 5 GLU CB C 5 32.354 32.354 32.570 -0.216 19142
15 1 . 1 1 5 5 GLU H H 5 8.754 8.754 9.195 -0.441 19142
16 1 . 1 1 6 6 THR N N 6 117.072 117.072 115.534 1.538 19142
17 1 . 1 1 6 6 THR HA H 6 4.837 4.837 5.111 -0.274 19142
18 1 . 1 1 6 6 THR CB C 6 69.935 69.935 70.184 -0.249 19142
19 1 . 1 1 6 6 THR H H 6 8.314 8.314 8.341 -0.027 19142
20 1 . 1 1 7 7 PHE HA H 7 4.798 4.798 4.970 -0.172 19142
21 1 . 1 1 7 7 PHE CB C 7 41.581 41.581 40.783 0.798 19142
22 1 . 1 1 7 7 PHE H H 7 9.018 9.018 7.810 1.208 19142
23 1 . 1 1 8 8 ILE N N 8 121.914 121.914 122.480 -0.566 19142
24 1 . 1 1 8 8 ILE HA H 8 4.694 4.694 5.145 -0.451 19142
25 1 . 1 1 8 8 ILE CB C 8 37.983 37.983 38.290 -0.307 19142
26 1 . 1 1 8 8 ILE H H 8 8.542 8.542 8.422 0.120 19142
27 1 . 1 1 9 9 VAL N N 9 125.551 125.551 124.394 1.157 19142
28 1 . 1 1 9 9 VAL HA H 9 4.555 4.555 4.623 -0.068 19142
29 1 . 1 1 9 9 VAL CB C 9 35.122 35.122 35.574 -0.452 19142
30 1 . 1 1 9 9 VAL H H 9 8.714 8.714 8.050 0.664 19142
31 1 . 1 1 10 10 ALA N N 10 126.210 126.210 123.347 2.863 19142
32 1 . 1 1 10 10 ALA HA H 10 4.646 4.646 4.844 -0.198 19142
33 1 . 1 1 10 10 ALA CB C 10 18.917 18.917 17.650 1.267 19142
34 1 . 1 1 10 10 ALA H H 10 8.405 8.405 8.510 -0.105 19142
35 1 . 1 1 11 11 CYS N N 11 120.017 120.017 121.530 -1.513 19142
36 1 . 1 1 11 11 CYS HA H 11 4.930 4.930 4.316 0.614 19142
37 1 . 1 1 11 11 CYS CB C 11 42.835 42.835 27.119 15.716 19142
38 1 . 1 1 11 11 CYS H H 11 8.599 8.599 8.480 0.119 19142
39 1 . 1 1 12 12 ASP N N 12 119.719 119.719 119.174 0.545 19142
40 1 . 1 1 12 12 ASP HA H 12 4.450 4.450 4.774 -0.324 19142
41 1 . 1 1 12 12 ASP CA C 12 54.846 54.846 53.904 0.942 19142
42 1 . 1 1 12 12 ASP CB C 12 39.776 39.776 40.482 -0.706 19142
43 1 . 1 1 12 12 ASP H H 12 8.649 8.649 8.034 0.615 19142
44 1 . 1 1 13 13 GLY N N 13 107.940 107.940 107.464 0.476 19142
45 1 . 1 1 13 13 GLY CA C 13 46.260 46.260 45.385 0.875 19142
46 1 . 1 1 13 13 GLY H H 13 8.546 8.546 7.715 0.831 19142
47 1 . 1 1 14 14 GLY N N 14 108.342 108.342 106.060 2.282 19142
48 1 . 1 1 14 14 GLY CA C 14 45.480 45.480 45.070 0.410 19142
49 1 . 1 1 14 14 GLY H H 14 8.171 8.171 8.143 0.028 19142
50 1 . 1 1 15 15 LYS N N 15 120.019 120.019 119.938 0.081 19142
51 1 . 1 1 15 15 LYS HA H 15 4.378 4.378 4.518 -0.140 19142
52 1 . 1 1 15 15 LYS CA C 15 55.874 55.874 55.482 0.392 19142
53 1 . 1 1 15 15 LYS CB C 15 33.597 33.597 34.231 -0.634 19142
54 1 . 1 1 15 15 LYS H H 15 7.709 7.709 7.854 -0.145 19142
55 1 . 1 1 16 16 ALA N N 16 123.520 123.520 123.095 0.425 19142
56 1 . 1 1 16 16 ALA HA H 16 4.646 4.646 4.535 0.111 19142
57 1 . 1 1 16 16 ALA CB C 16 19.305 19.305 19.392 -0.087 19142
58 1 . 1 1 16 16 ALA H H 16 8.288 8.288 8.249 0.039 19142
59 1 . 1 1 17 17 CYS HA H 17 4.870 4.870 4.677 0.194 19142
60 1 . 1 1 17 17 CYS CB C 17 40.951 40.951 30.922 10.029 19142
61 1 . 1 1 17 17 CYS H H 17 8.916 8.916 8.371 0.545 19142
62 1 . 1 1 18 18 ARG N N 18 122.376 122.376 122.487 -0.111 19142
63 1 . 1 1 18 18 ARG HA H 18 4.811 4.811 4.805 0.006 19142
64 1 . 1 1 18 18 ARG CB C 18 31.645 31.645 29.810 1.835 19142
65 1 . 1 1 18 18 ARG H H 18 8.546 8.546 8.530 0.015 19142
66 1 . 1 1 19 19 GLU HA H 19 4.611 4.611 4.105 0.506 19142
67 1 . 1 1 19 19 GLU CB C 19 31.571 31.571 30.432 1.139 19142
68 1 . 1 1 19 19 GLU H H 19 8.997 8.997 7.737 1.260 19142
69 1 . 1 1 20 20 VAL N N 20 123.513 123.513 123.298 0.215 19142
70 1 . 1 1 20 20 VAL HA H 20 4.682 4.682 4.288 0.394 19142
71 1 . 1 1 20 20 VAL CB C 20 33.366 33.366 33.079 0.287 19142
72 1 . 1 1 20 20 VAL H H 20 8.581 8.581 8.213 0.368 19142
73 1 . 1 1 21 21 LYS HA H 21 4.722 4.722 4.788 -0.066 19142
74 1 . 1 1 21 21 LYS CB C 21 34.934 34.934 35.638 -0.704 19142
75 1 . 1 1 21 21 LYS H H 21 8.902 8.902 8.727 0.175 19142
76 1 . 1 1 22 22 CYS HA H 22 5.391 5.391 5.470 -0.079 19142
77 1 . 1 1 22 22 CYS CB C 22 39.670 39.670 30.033 9.637 19142
78 1 . 1 1 22 22 CYS H H 22 8.986 8.986 8.677 0.309 19142
79 1 . 1 1 23 23 LYS N N 23 122.935 122.935 123.577 -0.642 19142
80 1 . 1 1 23 23 LYS HA H 23 4.575 4.575 4.760 -0.185 19142
81 1 . 1 1 23 23 LYS CB C 23 34.782 34.782 35.236 -0.454 19142
82 1 . 1 1 23 23 LYS H H 23 8.844 8.844 9.229 -0.385 19142
83 1 . 1 1 24 24 THR N N 24 117.783 117.783 117.410 0.373 19142
84 1 . 1 1 24 24 THR HA H 24 4.494 4.494 4.387 0.107 19142
85 1 . 1 1 24 24 THR CA C 24 62.443 62.443 62.499 -0.056 19142
86 1 . 1 1 24 24 THR CB C 24 69.712 69.712 69.245 0.467 19142
87 1 . 1 1 24 24 THR H H 24 8.518 8.518 8.400 0.118 19142
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