data_19697
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19697
_Entry.PDB_ID 2MIX
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 19697
_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 ARG HA H 2 4.442 4.442 4.616 -0.174 19697
2 1 1 . 1 1 2 2 ARG CA C 2 55.494 55.494 54.593 0.902 19697
3 1 1 . 1 1 2 2 ARG CB C 2 31.602 31.602 30.256 1.346 19697
4 1 1 . 1 1 2 2 ARG H H 2 7.138 7.138 8.019 -0.881 19697
5 1 1 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.807 0.133 19697
6 1 1 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.274 0.346 19697
7 1 1 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.455 2.209 19697
8 1 1 . 1 1 3 3 ILE H H 3 8.528 8.528 7.094 1.434 19697
9 1 1 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.067 0.806 19697
10 1 1 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.805 -6.916 19697
11 1 1 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.379 12.277 19697
12 1 1 . 1 1 4 4 CYS H H 4 7.479 7.479 8.369 -0.890 19697
13 1 1 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.629 -0.181 19697
14 1 1 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.745 -3.633 19697
15 1 1 . 1 1 5 5 CYS CB C 5 48.601 48.601 28.962 19.640 19697
16 1 1 . 1 1 5 5 CYS H H 5 8.911 8.911 8.324 0.587 19697
17 1 1 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.895 0.092 19697
18 1 1 . 1 1 6 6 GLY H H 6 8.775 8.775 8.351 0.424 19697
19 1 1 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.040 0.846 19697
20 1 1 . 1 1 7 7 CYS CA C 7 55.230 55.230 56.929 -1.700 19697
21 1 1 . 1 1 7 7 CYS CB C 7 49.511 49.511 28.146 21.365 19697
22 1 1 . 1 1 7 7 CYS H H 7 8.549 8.549 8.269 0.280 19697
23 1 1 . 1 1 8 8 TYR HA H 8 4.969 4.969 4.975 -0.006 19697
24 1 1 . 1 1 8 8 TYR CB C 8 41.282 41.282 39.969 1.312 19697
25 1 1 . 1 1 8 8 TYR H H 8 8.822 8.822 8.222 0.600 19697
26 1 1 . 1 1 9 9 TRP HA H 9 5.200 5.200 5.016 0.183 19697
27 1 1 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.063 -2.682 19697
28 1 1 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.903 0.600 19697
29 1 1 . 1 1 9 9 TRP H H 9 8.925 8.925 8.838 0.087 19697
30 1 1 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.775 0.438 19697
31 1 1 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.282 0.903 19697
32 1 1 . 1 1 10 10 ASN H H 10 7.907 7.907 8.001 -0.094 19697
33 1 1 . 1 1 11 11 GLY CA C 11 45.105 45.105 47.014 -1.909 19697
34 1 1 . 1 1 11 11 GLY H H 11 5.471 5.471 8.363 -2.892 19697
35 1 1 . 1 1 12 12 SER HA H 12 4.331 4.331 4.489 -0.158 19697
36 1 1 . 1 1 12 12 SER CA C 12 59.238 59.238 58.383 0.855 19697
37 1 1 . 1 1 12 12 SER CB C 12 61.767 61.767 64.265 -2.498 19697
38 1 1 . 1 1 12 12 SER H H 12 7.867 7.867 8.203 -0.336 19697
39 1 1 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.711 0.631 19697
40 1 1 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.256 1.020 19697
41 1 1 . 1 1 13 13 LYS CB C 13 34.883 34.883 34.133 0.750 19697
42 1 1 . 1 1 13 13 LYS H H 13 7.592 7.592 6.850 0.742 19697
43 1 1 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.747 0.451 19697
44 1 1 . 1 1 14 14 ASP CB C 14 41.668 41.668 40.911 0.757 19697
45 1 1 . 1 1 14 14 ASP H H 14 8.560 8.560 8.343 0.217 19697
46 1 1 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.136 -0.080 19697
47 1 1 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.590 1.272 19697
48 1 1 . 1 1 15 15 VAL CB C 15 32.589 32.589 31.573 1.016 19697
49 1 1 . 1 1 15 15 VAL H H 15 9.221 9.221 8.953 0.268 19697
50 1 1 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.205 0.526 19697
51 1 1 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.142 -1.920 19697
52 1 1 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.821 19.497 19697
53 1 1 . 1 1 16 16 CYS H H 16 9.018 9.018 8.581 0.437 19697
54 1 1 . 1 1 17 17 SER HA H 17 4.697 4.697 4.492 0.205 19697
55 1 1 . 1 1 17 17 SER CA C 17 56.982 56.982 57.965 -0.984 19697
56 1 1 . 1 1 17 17 SER CB C 17 65.236 65.236 64.425 0.811 19697
57 1 1 . 1 1 17 17 SER H H 17 8.890 8.890 8.914 -0.024 19697
58 1 1 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.589 1.026 19697
59 1 1 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.542 -0.359 19697
60 1 1 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.620 1.228 19697
61 1 1 . 1 1 18 18 GLN H H 18 9.032 9.032 8.628 0.404 19697
62 1 1 . 1 1 19 19 SER HA H 19 4.358 4.358 4.434 -0.076 19697
63 1 1 . 1 1 19 19 SER CA C 19 61.521 61.521 60.868 0.653 19697
64 1 1 . 1 1 19 19 SER CB C 19 63.399 63.399 64.168 -0.769 19697
65 1 1 . 1 1 19 19 SER H H 19 8.519 8.519 8.299 0.220 19697
66 1 1 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.759 -0.238 19697
67 1 1 . 1 1 20 20 CYS CA C 20 55.452 55.452 56.263 -0.811 19697
68 1 1 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.303 13.356 19697
69 1 1 . 1 1 20 20 CYS H H 20 7.557 7.557 7.511 0.046 19697
70 1 2 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.515 -0.073 19697
71 1 2 . 1 1 2 2 ARG CA C 2 55.494 55.494 54.544 0.950 19697
72 1 2 . 1 1 2 2 ARG CB C 2 31.602 31.602 29.386 2.216 19697
73 1 2 . 1 1 2 2 ARG H H 2 7.138 7.138 8.537 -1.399 19697
74 1 2 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.851 0.089 19697
75 1 2 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.255 0.365 19697
76 1 2 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.443 2.221 19697
77 1 2 . 1 1 3 3 ILE H H 3 8.528 8.528 7.044 1.484 19697
78 1 2 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.149 0.724 19697
79 1 2 . 1 1 4 4 CYS CA C 4 53.889 53.889 59.943 -6.054 19697
80 1 2 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.512 12.144 19697
81 1 2 . 1 1 4 4 CYS H H 4 7.479 7.479 8.390 -0.911 19697
82 1 2 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.498 -0.050 19697
83 1 2 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.575 -3.462 19697
84 1 2 . 1 1 5 5 CYS CB C 5 48.601 48.601 27.435 21.166 19697
85 1 2 . 1 1 5 5 CYS H H 5 8.911 8.911 8.335 0.576 19697
86 1 2 . 1 1 6 6 GLY CA C 6 44.988 44.988 45.321 -0.333 19697
87 1 2 . 1 1 6 6 GLY H H 6 8.775 8.775 8.981 -0.206 19697
88 1 2 . 1 1 7 7 CYS HA H 7 5.886 5.886 4.857 1.029 19697
89 1 2 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.980 -2.749 19697
90 1 2 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.269 22.242 19697
91 1 2 . 1 1 7 7 CYS H H 7 8.549 8.549 8.152 0.397 19697
92 1 2 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.039 -0.070 19697
93 1 2 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.488 0.794 19697
94 1 2 . 1 1 8 8 TYR H H 8 8.822 8.822 8.449 0.373 19697
95 1 2 . 1 1 9 9 TRP HA H 9 5.200 5.200 5.008 0.192 19697
96 1 2 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.313 -2.932 19697
97 1 2 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.909 0.594 19697
98 1 2 . 1 1 9 9 TRP H H 9 8.925 8.925 8.870 0.055 19697
99 1 2 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.614 0.599 19697
100 1 2 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.126 1.060 19697
101 1 2 . 1 1 10 10 ASN H H 10 7.907 7.907 8.252 -0.345 19697
102 1 2 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.837 -1.732 19697
103 1 2 . 1 1 11 11 GLY H H 11 5.471 5.471 8.303 -2.832 19697
104 1 2 . 1 1 12 12 SER HA H 12 4.331 4.331 4.831 -0.500 19697
105 1 2 . 1 1 12 12 SER CA C 12 59.238 59.238 58.161 1.077 19697
106 1 2 . 1 1 12 12 SER CB C 12 61.767 61.767 64.829 -3.062 19697
107 1 2 . 1 1 12 12 SER H H 12 7.867 7.867 7.943 -0.076 19697
108 1 2 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.973 0.369 19697
109 1 2 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.523 0.753 19697
110 1 2 . 1 1 13 13 LYS CB C 13 34.883 34.883 34.892 -0.009 19697
111 1 2 . 1 1 13 13 LYS H H 13 7.592 7.592 6.663 0.929 19697
112 1 2 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.958 0.240 19697
113 1 2 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.421 0.247 19697
114 1 2 . 1 1 14 14 ASP H H 14 8.560 8.560 8.382 0.178 19697
115 1 2 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.275 -0.219 19697
116 1 2 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.929 0.933 19697
117 1 2 . 1 1 15 15 VAL CB C 15 32.589 32.589 34.329 -1.740 19697
118 1 2 . 1 1 15 15 VAL H H 15 9.221 9.221 9.065 0.156 19697
119 1 2 . 1 1 16 16 CYS HA H 16 5.731 5.731 4.866 0.865 19697
120 1 2 . 1 1 16 16 CYS CA C 16 55.222 55.222 58.268 -3.046 19697
121 1 2 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.628 19.690 19697
122 1 2 . 1 1 16 16 CYS H H 16 9.018 9.018 8.792 0.226 19697
123 1 2 . 1 1 17 17 SER HA H 17 4.697 4.697 4.677 0.020 19697
124 1 2 . 1 1 17 17 SER CA C 17 56.982 56.982 57.560 -0.579 19697
125 1 2 . 1 1 17 17 SER CB C 17 65.236 65.236 66.532 -1.296 19697
126 1 2 . 1 1 17 17 SER H H 17 8.890 8.890 9.036 -0.146 19697
127 1 2 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.600 1.015 19697
128 1 2 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.048 0.135 19697
129 1 2 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.309 1.538 19697
130 1 2 . 1 1 18 18 GLN H H 18 9.032 9.032 8.768 0.264 19697
131 1 2 . 1 1 19 19 SER HA H 19 4.358 4.358 4.336 0.022 19697
132 1 2 . 1 1 19 19 SER CA C 19 61.521 61.521 61.478 0.043 19697
133 1 2 . 1 1 19 19 SER CB C 19 63.399 63.399 63.688 -0.289 19697
134 1 2 . 1 1 19 19 SER H H 19 8.519 8.519 8.498 0.021 19697
135 1 2 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.804 -0.283 19697
136 1 2 . 1 1 20 20 CYS CA C 20 55.452 55.452 58.946 -3.494 19697
137 1 2 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.541 13.117 19697
138 1 2 . 1 1 20 20 CYS H H 20 7.557 7.557 8.392 -0.835 19697
139 1 3 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.324 0.118 19697
140 1 3 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.877 -0.383 19697
141 1 3 . 1 1 2 2 ARG CB C 2 31.602 31.602 28.735 2.867 19697
142 1 3 . 1 1 2 2 ARG H H 2 7.138 7.138 8.657 -1.519 19697
143 1 3 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.991 -0.051 19697
144 1 3 . 1 1 3 3 ILE CA C 3 62.620 62.620 61.960 0.660 19697
145 1 3 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.508 2.156 19697
146 1 3 . 1 1 3 3 ILE H H 3 8.528 8.528 7.364 1.164 19697
147 1 3 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.175 0.698 19697
148 1 3 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.174 -6.285 19697
149 1 3 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.290 12.367 19697
150 1 3 . 1 1 4 4 CYS H H 4 7.479 7.479 8.429 -0.950 19697
151 1 3 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.717 -0.269 19697
152 1 3 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.709 -3.597 19697
153 1 3 . 1 1 5 5 CYS CB C 5 48.601 48.601 29.740 18.861 19697
154 1 3 . 1 1 5 5 CYS H H 5 8.911 8.911 8.653 0.258 19697
155 1 3 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.719 0.269 19697
156 1 3 . 1 1 6 6 GLY H H 6 8.775 8.775 8.208 0.567 19697
157 1 3 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.070 0.816 19697
158 1 3 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.991 -2.761 19697
159 1 3 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.964 21.547 19697
160 1 3 . 1 1 7 7 CYS H H 7 8.549 8.549 8.330 0.219 19697
161 1 3 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.034 -0.065 19697
162 1 3 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.471 0.811 19697
163 1 3 . 1 1 8 8 TYR H H 8 8.822 8.822 8.540 0.282 19697
164 1 3 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.953 0.247 19697
165 1 3 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.632 -3.251 19697
166 1 3 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.541 0.962 19697
167 1 3 . 1 1 9 9 TRP H H 9 8.925 8.925 8.930 -0.005 19697
168 1 3 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.624 0.589 19697
169 1 3 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.165 1.021 19697
170 1 3 . 1 1 10 10 ASN H H 10 7.907 7.907 8.072 -0.165 19697
171 1 3 . 1 1 11 11 GLY CA C 11 45.105 45.105 47.084 -1.979 19697
172 1 3 . 1 1 11 11 GLY H H 11 5.471 5.471 8.230 -2.759 19697
173 1 3 . 1 1 12 12 SER HA H 12 4.331 4.331 4.558 -0.227 19697
174 1 3 . 1 1 12 12 SER CA C 12 59.238 59.238 58.293 0.945 19697
175 1 3 . 1 1 12 12 SER CB C 12 61.767 61.767 64.161 -2.394 19697
176 1 3 . 1 1 12 12 SER H H 12 7.867 7.867 7.968 -0.101 19697
177 1 3 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.845 0.497 19697
178 1 3 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.248 1.028 19697
179 1 3 . 1 1 13 13 LYS CB C 13 34.883 34.883 34.636 0.247 19697
180 1 3 . 1 1 13 13 LYS H H 13 7.592 7.592 6.920 0.672 19697
181 1 3 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.903 0.295 19697
182 1 3 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.473 0.195 19697
183 1 3 . 1 1 14 14 ASP H H 14 8.560 8.560 8.341 0.219 19697
184 1 3 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.343 -0.287 19697
185 1 3 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.954 0.908 19697
186 1 3 . 1 1 15 15 VAL CB C 15 32.589 32.589 34.197 -1.608 19697
187 1 3 . 1 1 15 15 VAL H H 15 9.221 9.221 9.127 0.094 19697
188 1 3 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.219 0.512 19697
189 1 3 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.594 -2.372 19697
190 1 3 . 1 1 16 16 CYS CB C 16 47.318 47.318 28.421 18.897 19697
191 1 3 . 1 1 16 16 CYS H H 16 9.018 9.018 8.782 0.236 19697
192 1 3 . 1 1 17 17 SER HA H 17 4.697 4.697 4.505 0.192 19697
193 1 3 . 1 1 17 17 SER CA C 17 56.982 56.982 58.079 -1.097 19697
194 1 3 . 1 1 17 17 SER CB C 17 65.236 65.236 64.634 0.602 19697
195 1 3 . 1 1 17 17 SER H H 17 8.890 8.890 8.816 0.074 19697
196 1 3 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.471 1.144 19697
197 1 3 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.928 -0.745 19697
198 1 3 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.292 1.556 19697
199 1 3 . 1 1 18 18 GLN H H 18 9.032 9.032 8.721 0.311 19697
200 1 3 . 1 1 19 19 SER HA H 19 4.358 4.358 4.464 -0.106 19697
201 1 3 . 1 1 19 19 SER CA C 19 61.521 61.521 61.298 0.223 19697
202 1 3 . 1 1 19 19 SER CB C 19 63.399 63.399 63.840 -0.441 19697
203 1 3 . 1 1 19 19 SER H H 19 8.519 8.519 8.138 0.381 19697
204 1 3 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.668 -0.147 19697
205 1 3 . 1 1 20 20 CYS CA C 20 55.452 55.452 58.894 -3.442 19697
206 1 3 . 1 1 20 20 CYS CB C 20 39.659 39.659 25.199 14.460 19697
207 1 3 . 1 1 20 20 CYS H H 20 7.557 7.557 8.505 -0.948 19697
208 1 4 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.558 -0.116 19697
209 1 4 . 1 1 2 2 ARG CA C 2 55.494 55.494 54.894 0.600 19697
210 1 4 . 1 1 2 2 ARG CB C 2 31.602 31.602 29.918 1.684 19697
211 1 4 . 1 1 2 2 ARG H H 2 7.138 7.138 8.096 -0.958 19697
212 1 4 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.688 0.252 19697
213 1 4 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.181 0.438 19697
214 1 4 . 1 1 3 3 ILE CB C 3 37.664 37.664 36.029 1.635 19697
215 1 4 . 1 1 3 3 ILE H H 3 8.528 8.528 7.216 1.312 19697
216 1 4 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.123 0.750 19697
217 1 4 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.037 -6.148 19697
218 1 4 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.340 12.316 19697
219 1 4 . 1 1 4 4 CYS H H 4 7.479 7.479 8.510 -1.031 19697
220 1 4 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.372 0.076 19697
221 1 4 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.353 -3.241 19697
222 1 4 . 1 1 5 5 CYS CB C 5 48.601 48.601 28.099 20.502 19697
223 1 4 . 1 1 5 5 CYS H H 5 8.911 8.911 8.341 0.570 19697
224 1 4 . 1 1 6 6 GLY CA C 6 44.988 44.988 45.030 -0.042 19697
225 1 4 . 1 1 6 6 GLY H H 6 8.775 8.775 8.939 -0.164 19697
226 1 4 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.009 0.877 19697
227 1 4 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.013 -1.783 19697
228 1 4 . 1 1 7 7 CYS CB C 7 49.511 49.511 28.165 21.346 19697
229 1 4 . 1 1 7 7 CYS H H 7 8.549 8.549 8.302 0.247 19697
230 1 4 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.045 -0.076 19697
231 1 4 . 1 1 8 8 TYR CB C 8 41.282 41.282 39.756 1.526 19697
232 1 4 . 1 1 8 8 TYR H H 8 8.822 8.822 8.108 0.714 19697
233 1 4 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.981 0.219 19697
234 1 4 . 1 1 9 9 TRP CA C 9 54.381 54.381 56.989 -2.608 19697
235 1 4 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.890 0.613 19697
236 1 4 . 1 1 9 9 TRP H H 9 8.925 8.925 8.840 0.085 19697
237 1 4 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.773 0.440 19697
238 1 4 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.291 0.895 19697
239 1 4 . 1 1 10 10 ASN H H 10 7.907 7.907 7.999 -0.092 19697
240 1 4 . 1 1 11 11 GLY CA C 11 45.105 45.105 47.035 -1.930 19697
241 1 4 . 1 1 11 11 GLY H H 11 5.471 5.471 8.403 -2.932 19697
242 1 4 . 1 1 12 12 SER HA H 12 4.331 4.331 4.550 -0.219 19697
243 1 4 . 1 1 12 12 SER CA C 12 59.238 59.238 59.018 0.220 19697
244 1 4 . 1 1 12 12 SER CB C 12 61.767 61.767 63.890 -2.123 19697
245 1 4 . 1 1 12 12 SER H H 12 7.867 7.867 7.999 -0.132 19697
246 1 4 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.712 0.630 19697
247 1 4 . 1 1 13 13 LYS CA C 13 55.276 55.276 53.702 1.575 19697
248 1 4 . 1 1 13 13 LYS CB C 13 34.883 34.883 34.378 0.505 19697
249 1 4 . 1 1 13 13 LYS H H 13 7.592 7.592 6.933 0.659 19697
250 1 4 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.707 0.491 19697
251 1 4 . 1 1 14 14 ASP CB C 14 41.668 41.668 40.612 1.056 19697
252 1 4 . 1 1 14 14 ASP H H 14 8.560 8.560 8.233 0.327 19697
253 1 4 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.160 -0.104 19697
254 1 4 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.703 1.159 19697
255 1 4 . 1 1 15 15 VAL CB C 15 32.589 32.589 32.282 0.307 19697
256 1 4 . 1 1 15 15 VAL H H 15 9.221 9.221 8.789 0.432 19697
257 1 4 . 1 1 16 16 CYS HA H 16 5.731 5.731 4.920 0.811 19697
258 1 4 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.347 -2.125 19697
259 1 4 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.237 20.081 19697
260 1 4 . 1 1 16 16 CYS H H 16 9.018 9.018 8.749 0.269 19697
261 1 4 . 1 1 17 17 SER HA H 17 4.697 4.697 4.675 0.022 19697
262 1 4 . 1 1 17 17 SER CA C 17 56.982 56.982 57.855 -0.873 19697
263 1 4 . 1 1 17 17 SER CB C 17 65.236 65.236 65.052 0.184 19697
264 1 4 . 1 1 17 17 SER H H 17 8.890 8.890 9.101 -0.211 19697
265 1 4 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.578 1.037 19697
266 1 4 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.254 -0.071 19697
267 1 4 . 1 1 18 18 GLN CB C 18 29.848 29.848 29.653 0.195 19697
268 1 4 . 1 1 18 18 GLN H H 18 9.032 9.032 8.668 0.364 19697
269 1 4 . 1 1 19 19 SER HA H 19 4.358 4.358 4.369 -0.011 19697
270 1 4 . 1 1 19 19 SER CA C 19 61.521 61.521 60.742 0.779 19697
271 1 4 . 1 1 19 19 SER CB C 19 63.399 63.399 63.564 -0.165 19697
272 1 4 . 1 1 19 19 SER H H 19 8.519 8.519 9.019 -0.500 19697
273 1 4 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.608 -0.087 19697
274 1 4 . 1 1 20 20 CYS CA C 20 55.452 55.452 57.772 -2.320 19697
275 1 4 . 1 1 20 20 CYS CB C 20 39.659 39.659 25.281 14.378 19697
276 1 4 . 1 1 20 20 CYS H H 20 7.557 7.557 8.456 -0.899 19697
277 1 5 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.373 0.069 19697
278 1 5 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.379 0.115 19697
279 1 5 . 1 1 2 2 ARG CB C 2 31.602 31.602 28.803 2.799 19697
280 1 5 . 1 1 2 2 ARG H H 2 7.138 7.138 8.702 -1.564 19697
281 1 5 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.933 0.007 19697
282 1 5 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.369 0.251 19697
283 1 5 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.649 2.015 19697
284 1 5 . 1 1 3 3 ILE H H 3 8.528 8.528 7.398 1.130 19697
285 1 5 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.120 0.753 19697
286 1 5 . 1 1 4 4 CYS CA C 4 53.889 53.889 59.958 -6.069 19697
287 1 5 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.584 12.072 19697
288 1 5 . 1 1 4 4 CYS H H 4 7.479 7.479 8.323 -0.844 19697
289 1 5 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.671 -0.223 19697
290 1 5 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.129 -3.017 19697
291 1 5 . 1 1 5 5 CYS CB C 5 48.601 48.601 27.938 20.663 19697
292 1 5 . 1 1 5 5 CYS H H 5 8.911 8.911 8.650 0.261 19697
293 1 5 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.914 0.074 19697
294 1 5 . 1 1 6 6 GLY H H 6 8.775 8.775 8.759 0.016 19697
295 1 5 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.046 0.840 19697
296 1 5 . 1 1 7 7 CYS CA C 7 55.230 55.230 58.050 -2.820 19697
297 1 5 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.502 22.009 19697
298 1 5 . 1 1 7 7 CYS H H 7 8.549 8.549 8.354 0.195 19697
299 1 5 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.043 -0.074 19697
300 1 5 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.420 0.862 19697
301 1 5 . 1 1 8 8 TYR H H 8 8.822 8.822 8.500 0.322 19697
302 1 5 . 1 1 9 9 TRP HA H 9 5.200 5.200 5.030 0.170 19697
303 1 5 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.651 -3.271 19697
304 1 5 . 1 1 9 9 TRP CB C 9 30.503 30.503 30.101 0.402 19697
305 1 5 . 1 1 9 9 TRP H H 9 8.925 8.925 8.857 0.068 19697
306 1 5 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.702 0.511 19697
307 1 5 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.474 0.712 19697
308 1 5 . 1 1 10 10 ASN H H 10 7.907 7.907 8.490 -0.583 19697
309 1 5 . 1 1 11 11 GLY CA C 11 45.105 45.105 47.163 -2.058 19697
310 1 5 . 1 1 11 11 GLY H H 11 5.471 5.471 8.478 -3.007 19697
311 1 5 . 1 1 12 12 SER HA H 12 4.331 4.331 4.600 -0.269 19697
312 1 5 . 1 1 12 12 SER CA C 12 59.238 59.238 58.382 0.856 19697
313 1 5 . 1 1 12 12 SER CB C 12 61.767 61.767 64.215 -2.448 19697
314 1 5 . 1 1 12 12 SER H H 12 7.867 7.867 8.173 -0.306 19697
315 1 5 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.958 0.384 19697
316 1 5 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.356 0.920 19697
317 1 5 . 1 1 13 13 LYS CB C 13 34.883 34.883 35.025 -0.142 19697
318 1 5 . 1 1 13 13 LYS H H 13 7.592 7.592 6.909 0.683 19697
319 1 5 . 1 1 14 14 ASP HA H 14 5.198 5.198 5.154 0.044 19697
320 1 5 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.427 0.241 19697
321 1 5 . 1 1 14 14 ASP H H 14 8.560 8.560 8.424 0.136 19697
322 1 5 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.343 -0.287 19697
323 1 5 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.873 0.989 19697
324 1 5 . 1 1 15 15 VAL CB C 15 32.589 32.589 35.171 -2.582 19697
325 1 5 . 1 1 15 15 VAL H H 15 9.221 9.221 9.029 0.192 19697
326 1 5 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.146 0.585 19697
327 1 5 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.677 -2.455 19697
328 1 5 . 1 1 16 16 CYS CB C 16 47.318 47.318 28.726 18.592 19697
329 1 5 . 1 1 16 16 CYS H H 16 9.018 9.018 8.711 0.307 19697
330 1 5 . 1 1 17 17 SER HA H 17 4.697 4.697 4.520 0.177 19697
331 1 5 . 1 1 17 17 SER CA C 17 56.982 56.982 58.290 -1.308 19697
332 1 5 . 1 1 17 17 SER CB C 17 65.236 65.236 64.760 0.476 19697
333 1 5 . 1 1 17 17 SER H H 17 8.890 8.890 9.000 -0.110 19697
334 1 5 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.476 1.139 19697
335 1 5 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.608 -0.426 19697
336 1 5 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.295 1.553 19697
337 1 5 . 1 1 18 18 GLN H H 18 9.032 9.032 8.722 0.310 19697
338 1 5 . 1 1 19 19 SER HA H 19 4.358 4.358 4.384 -0.026 19697
339 1 5 . 1 1 19 19 SER CA C 19 61.521 61.521 61.656 -0.135 19697
340 1 5 . 1 1 19 19 SER CB C 19 63.399 63.399 63.927 -0.528 19697
341 1 5 . 1 1 19 19 SER H H 19 8.519 8.519 7.980 0.539 19697
342 1 5 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.589 -0.068 19697
343 1 5 . 1 1 20 20 CYS CA C 20 55.452 55.452 58.622 -3.170 19697
344 1 5 . 1 1 20 20 CYS CB C 20 39.659 39.659 25.104 14.556 19697
345 1 5 . 1 1 20 20 CYS H H 20 7.557 7.557 8.495 -0.938 19697
346 1 6 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.275 0.167 19697
347 1 6 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.190 0.304 19697
348 1 6 . 1 1 2 2 ARG CB C 2 31.602 31.602 28.678 2.924 19697
349 1 6 . 1 1 2 2 ARG H H 2 7.138 7.138 8.394 -1.256 19697
350 1 6 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.801 0.139 19697
351 1 6 . 1 1 3 3 ILE CA C 3 62.620 62.620 61.868 0.752 19697
352 1 6 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.932 1.732 19697
353 1 6 . 1 1 3 3 ILE H H 3 8.528 8.528 7.113 1.415 19697
354 1 6 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.206 0.667 19697
355 1 6 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.414 -6.526 19697
356 1 6 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.318 12.338 19697
357 1 6 . 1 1 4 4 CYS H H 4 7.479 7.479 8.271 -0.792 19697
358 1 6 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.510 -0.062 19697
359 1 6 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.472 -3.361 19697
360 1 6 . 1 1 5 5 CYS CB C 5 48.601 48.601 29.409 19.192 19697
361 1 6 . 1 1 5 5 CYS H H 5 8.911 8.911 8.399 0.512 19697
362 1 6 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.922 0.066 19697
363 1 6 . 1 1 6 6 GLY H H 6 8.775 8.775 8.162 0.613 19697
364 1 6 . 1 1 7 7 CYS HA H 7 5.886 5.886 4.753 1.133 19697
365 1 6 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.603 -2.373 19697
366 1 6 . 1 1 7 7 CYS CB C 7 49.511 49.511 28.074 21.437 19697
367 1 6 . 1 1 7 7 CYS H H 7 8.549 8.549 8.168 0.381 19697
368 1 6 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.040 -0.071 19697
369 1 6 . 1 1 8 8 TYR CB C 8 41.282 41.282 39.534 1.748 19697
370 1 6 . 1 1 8 8 TYR H H 8 8.822 8.822 8.057 0.765 19697
371 1 6 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.881 0.319 19697
372 1 6 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.407 -3.026 19697
373 1 6 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.385 1.118 19697
374 1 6 . 1 1 9 9 TRP H H 9 8.925 8.925 8.862 0.063 19697
375 1 6 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.610 0.603 19697
376 1 6 . 1 1 10 10 ASN CB C 10 39.186 39.186 37.622 1.564 19697
377 1 6 . 1 1 10 10 ASN H H 10 7.907 7.907 8.154 -0.247 19697
378 1 6 . 1 1 11 11 GLY CA C 11 45.105 45.105 47.037 -1.932 19697
379 1 6 . 1 1 11 11 GLY H H 11 5.471 5.471 8.455 -2.984 19697
380 1 6 . 1 1 12 12 SER HA H 12 4.331 4.331 4.710 -0.379 19697
381 1 6 . 1 1 12 12 SER CA C 12 59.238 59.238 58.268 0.970 19697
382 1 6 . 1 1 12 12 SER CB C 12 61.767 61.767 64.909 -3.142 19697
383 1 6 . 1 1 12 12 SER H H 12 7.867 7.867 7.922 -0.055 19697
384 1 6 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.456 0.886 19697
385 1 6 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.637 0.639 19697
386 1 6 . 1 1 13 13 LYS CB C 13 34.883 34.883 35.326 -0.443 19697
387 1 6 . 1 1 13 13 LYS H H 13 7.592 7.592 6.781 0.811 19697
388 1 6 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.969 0.229 19697
389 1 6 . 1 1 14 14 ASP CB C 14 41.668 41.668 40.818 0.850 19697
390 1 6 . 1 1 14 14 ASP H H 14 8.560 8.560 8.209 0.351 19697
391 1 6 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.251 -0.195 19697
392 1 6 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.865 0.997 19697
393 1 6 . 1 1 15 15 VAL CB C 15 32.589 32.589 32.494 0.095 19697
394 1 6 . 1 1 15 15 VAL H H 15 9.221 9.221 8.919 0.302 19697
395 1 6 . 1 1 16 16 CYS HA H 16 5.731 5.731 4.820 0.911 19697
396 1 6 . 1 1 16 16 CYS CA C 16 55.222 55.222 58.004 -2.782 19697
397 1 6 . 1 1 16 16 CYS CB C 16 47.318 47.318 26.441 20.878 19697
398 1 6 . 1 1 16 16 CYS H H 16 9.018 9.018 8.839 0.179 19697
399 1 6 . 1 1 17 17 SER HA H 17 4.697 4.697 4.492 0.205 19697
400 1 6 . 1 1 17 17 SER CA C 17 56.982 56.982 57.387 -0.405 19697
401 1 6 . 1 1 17 17 SER CB C 17 65.236 65.236 65.020 0.216 19697
402 1 6 . 1 1 17 17 SER H H 17 8.890 8.890 8.070 0.820 19697
403 1 6 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.413 1.202 19697
404 1 6 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.760 -0.577 19697
405 1 6 . 1 1 18 18 GLN CB C 18 29.848 29.848 26.591 3.257 19697
406 1 6 . 1 1 18 18 GLN H H 18 9.032 9.032 8.689 0.343 19697
407 1 6 . 1 1 19 19 SER HA H 19 4.358 4.358 4.497 -0.139 19697
408 1 6 . 1 1 19 19 SER CA C 19 61.521 61.521 60.074 1.447 19697
409 1 6 . 1 1 19 19 SER CB C 19 63.399 63.399 64.067 -0.668 19697
410 1 6 . 1 1 19 19 SER H H 19 8.519 8.519 8.087 0.432 19697
411 1 6 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.942 -0.421 19697
412 1 6 . 1 1 20 20 CYS CA C 20 55.452 55.452 57.702 -2.250 19697
413 1 6 . 1 1 20 20 CYS CB C 20 39.659 39.659 27.394 12.265 19697
414 1 6 . 1 1 20 20 CYS H H 20 7.557 7.557 7.876 -0.319 19697
415 1 7 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.351 0.091 19697
416 1 7 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.212 0.282 19697
417 1 7 . 1 1 2 2 ARG CB C 2 31.602 31.602 29.049 2.553 19697
418 1 7 . 1 1 2 2 ARG H H 2 7.138 7.138 8.512 -1.374 19697
419 1 7 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.647 0.293 19697
420 1 7 . 1 1 3 3 ILE CA C 3 62.620 62.620 61.936 0.684 19697
421 1 7 . 1 1 3 3 ILE CB C 3 37.664 37.664 36.495 1.169 19697
422 1 7 . 1 1 3 3 ILE H H 3 8.528 8.528 6.915 1.613 19697
423 1 7 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.144 0.729 19697
424 1 7 . 1 1 4 4 CYS CA C 4 53.889 53.889 59.797 -5.908 19697
425 1 7 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.589 12.067 19697
426 1 7 . 1 1 4 4 CYS H H 4 7.479 7.479 8.487 -1.008 19697
427 1 7 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.739 -0.291 19697
428 1 7 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.551 -3.439 19697
429 1 7 . 1 1 5 5 CYS CB C 5 48.601 48.601 29.378 19.223 19697
430 1 7 . 1 1 5 5 CYS H H 5 8.911 8.911 8.389 0.522 19697
431 1 7 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.744 0.244 19697
432 1 7 . 1 1 6 6 GLY H H 6 8.775 8.775 8.526 0.249 19697
433 1 7 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.085 0.801 19697
434 1 7 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.185 -1.955 19697
435 1 7 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.417 22.094 19697
436 1 7 . 1 1 7 7 CYS H H 7 8.549 8.549 8.356 0.193 19697
437 1 7 . 1 1 8 8 TYR HA H 8 4.969 4.969 4.958 0.011 19697
438 1 7 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.144 1.138 19697
439 1 7 . 1 1 8 8 TYR H H 8 8.822 8.822 8.555 0.267 19697
440 1 7 . 1 1 9 9 TRP HA H 9 5.200 5.200 5.125 0.075 19697
441 1 7 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.066 -2.686 19697
442 1 7 . 1 1 9 9 TRP CB C 9 30.503 30.503 30.557 -0.054 19697
443 1 7 . 1 1 9 9 TRP H H 9 8.925 8.925 8.732 0.193 19697
444 1 7 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.796 0.417 19697
445 1 7 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.857 0.329 19697
446 1 7 . 1 1 10 10 ASN H H 10 7.907 7.907 8.490 -0.583 19697
447 1 7 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.656 -1.551 19697
448 1 7 . 1 1 11 11 GLY H H 11 5.471 5.471 8.605 -3.134 19697
449 1 7 . 1 1 12 12 SER HA H 12 4.331 4.331 4.745 -0.414 19697
450 1 7 . 1 1 12 12 SER CA C 12 59.238 59.238 58.250 0.988 19697
451 1 7 . 1 1 12 12 SER CB C 12 61.767 61.767 64.997 -3.230 19697
452 1 7 . 1 1 12 12 SER H H 12 7.867 7.867 7.949 -0.082 19697
453 1 7 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.842 0.500 19697
454 1 7 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.973 0.303 19697
455 1 7 . 1 1 13 13 LYS CB C 13 34.883 34.883 35.759 -0.876 19697
456 1 7 . 1 1 13 13 LYS H H 13 7.592 7.592 6.627 0.965 19697
457 1 7 . 1 1 14 14 ASP HA H 14 5.198 5.198 5.129 0.069 19697
458 1 7 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.682 -0.014 19697
459 1 7 . 1 1 14 14 ASP H H 14 8.560 8.560 8.352 0.208 19697
460 1 7 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.182 -0.126 19697
461 1 7 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.278 1.585 19697
462 1 7 . 1 1 15 15 VAL CB C 15 32.589 32.589 34.131 -1.542 19697
463 1 7 . 1 1 15 15 VAL H H 15 9.221 9.221 8.935 0.286 19697
464 1 7 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.153 0.578 19697
465 1 7 . 1 1 16 16 CYS CA C 16 55.222 55.222 58.118 -2.896 19697
466 1 7 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.396 19.922 19697
467 1 7 . 1 1 16 16 CYS H H 16 9.018 9.018 8.743 0.275 19697
468 1 7 . 1 1 17 17 SER HA H 17 4.697 4.697 4.713 -0.016 19697
469 1 7 . 1 1 17 17 SER CA C 17 56.982 56.982 56.869 0.113 19697
470 1 7 . 1 1 17 17 SER CB C 17 65.236 65.236 66.046 -0.810 19697
471 1 7 . 1 1 17 17 SER H H 17 8.890 8.890 8.729 0.161 19697
472 1 7 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.600 1.015 19697
473 1 7 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.365 -0.182 19697
474 1 7 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.548 1.300 19697
475 1 7 . 1 1 18 18 GLN H H 18 9.032 9.032 8.695 0.337 19697
476 1 7 . 1 1 19 19 SER HA H 19 4.358 4.358 4.427 -0.069 19697
477 1 7 . 1 1 19 19 SER CA C 19 61.521 61.521 60.540 0.981 19697
478 1 7 . 1 1 19 19 SER CB C 19 63.399 63.399 63.815 -0.416 19697
479 1 7 . 1 1 19 19 SER H H 19 8.519 8.519 8.677 -0.158 19697
480 1 7 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.887 -0.366 19697
481 1 7 . 1 1 20 20 CYS CA C 20 55.452 55.452 56.746 -1.294 19697
482 1 7 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.236 13.422 19697
483 1 7 . 1 1 20 20 CYS H H 20 7.557 7.557 8.355 -0.798 19697
484 1 8 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.584 -0.142 19697
485 1 8 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.081 0.413 19697
486 1 8 . 1 1 2 2 ARG CB C 2 31.602 31.602 30.387 1.215 19697
487 1 8 . 1 1 2 2 ARG H H 2 7.138 7.138 8.353 -1.215 19697
488 1 8 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.664 0.276 19697
489 1 8 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.471 0.149 19697
490 1 8 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.923 1.740 19697
491 1 8 . 1 1 3 3 ILE H H 3 8.528 8.528 7.119 1.409 19697
492 1 8 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.132 0.741 19697
493 1 8 . 1 1 4 4 CYS CA C 4 53.889 53.889 59.885 -5.996 19697
494 1 8 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.555 12.101 19697
495 1 8 . 1 1 4 4 CYS H H 4 7.479 7.479 8.401 -0.922 19697
496 1 8 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.023 0.425 19697
497 1 8 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.483 -3.371 19697
498 1 8 . 1 1 5 5 CYS CB C 5 48.601 48.601 26.994 21.607 19697
499 1 8 . 1 1 5 5 CYS H H 5 8.911 8.911 8.336 0.575 19697
500 1 8 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.872 0.116 19697
501 1 8 . 1 1 6 6 GLY H H 6 8.775 8.775 9.019 -0.244 19697
502 1 8 . 1 1 7 7 CYS HA H 7 5.886 5.886 5.006 0.880 19697
503 1 8 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.220 -1.990 19697
504 1 8 . 1 1 7 7 CYS CB C 7 49.511 49.511 26.886 22.625 19697
505 1 8 . 1 1 7 7 CYS H H 7 8.549 8.549 8.413 0.136 19697
506 1 8 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.062 -0.093 19697
507 1 8 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.033 1.249 19697
508 1 8 . 1 1 8 8 TYR H H 8 8.822 8.822 8.404 0.418 19697
509 1 8 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.991 0.209 19697
510 1 8 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.160 -2.780 19697
511 1 8 . 1 1 9 9 TRP CB C 9 30.503 30.503 30.705 -0.202 19697
512 1 8 . 1 1 9 9 TRP H H 9 8.925 8.925 8.697 0.228 19697
513 1 8 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.808 0.405 19697
514 1 8 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.825 0.361 19697
515 1 8 . 1 1 10 10 ASN H H 10 7.907 7.907 8.229 -0.322 19697
516 1 8 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.680 -1.575 19697
517 1 8 . 1 1 11 11 GLY H H 11 5.471 5.471 8.656 -3.185 19697
518 1 8 . 1 1 12 12 SER HA H 12 4.331 4.331 4.826 -0.495 19697
519 1 8 . 1 1 12 12 SER CA C 12 59.238 59.238 57.879 1.359 19697
520 1 8 . 1 1 12 12 SER CB C 12 61.767 61.767 64.058 -2.291 19697
521 1 8 . 1 1 12 12 SER H H 12 7.867 7.867 7.824 0.043 19697
522 1 8 . 1 1 13 13 LYS HA H 13 4.342 4.342 4.026 0.316 19697
523 1 8 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.309 0.967 19697
524 1 8 . 1 1 13 13 LYS CB C 13 34.883 34.883 36.417 -1.534 19697
525 1 8 . 1 1 13 13 LYS H H 13 7.592 7.592 6.803 0.789 19697
526 1 8 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.931 0.267 19697
527 1 8 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.637 0.031 19697
528 1 8 . 1 1 14 14 ASP H H 14 8.560 8.560 8.279 0.281 19697
529 1 8 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.121 -0.065 19697
530 1 8 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.362 1.500 19697
531 1 8 . 1 1 15 15 VAL CB C 15 32.589 32.589 33.010 -0.421 19697
532 1 8 . 1 1 15 15 VAL H H 15 9.221 9.221 8.807 0.414 19697
533 1 8 . 1 1 16 16 CYS HA H 16 5.731 5.731 4.800 0.931 19697
534 1 8 . 1 1 16 16 CYS CA C 16 55.222 55.222 58.371 -3.150 19697
535 1 8 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.264 20.054 19697
536 1 8 . 1 1 16 16 CYS H H 16 9.018 9.018 8.844 0.174 19697
537 1 8 . 1 1 17 17 SER HA H 17 4.697 4.697 4.808 -0.111 19697
538 1 8 . 1 1 17 17 SER CA C 17 56.982 56.982 57.920 -0.938 19697
539 1 8 . 1 1 17 17 SER CB C 17 65.236 65.236 66.910 -1.674 19697
540 1 8 . 1 1 17 17 SER H H 17 8.890 8.890 8.998 -0.108 19697
541 1 8 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.643 0.972 19697
542 1 8 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.208 -0.025 19697
543 1 8 . 1 1 18 18 GLN CB C 18 29.848 29.848 29.309 0.539 19697
544 1 8 . 1 1 18 18 GLN H H 18 9.032 9.032 8.758 0.274 19697
545 1 8 . 1 1 19 19 SER HA H 19 4.358 4.358 4.464 -0.106 19697
546 1 8 . 1 1 19 19 SER CA C 19 61.521 61.521 60.590 0.931 19697
547 1 8 . 1 1 19 19 SER CB C 19 63.399 63.399 63.764 -0.365 19697
548 1 8 . 1 1 19 19 SER H H 19 8.519 8.519 8.912 -0.393 19697
549 1 8 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.685 -0.164 19697
550 1 8 . 1 1 20 20 CYS CA C 20 55.452 55.452 57.415 -1.963 19697
551 1 8 . 1 1 20 20 CYS CB C 20 39.659 39.659 25.237 14.422 19697
552 1 8 . 1 1 20 20 CYS H H 20 7.557 7.557 8.508 -0.951 19697
553 1 9 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.569 -0.127 19697
554 1 9 . 1 1 2 2 ARG CA C 2 55.494 55.494 53.946 1.548 19697
555 1 9 . 1 1 2 2 ARG CB C 2 31.602 31.602 29.625 1.976 19697
556 1 9 . 1 1 2 2 ARG H H 2 7.138 7.138 8.004 -0.866 19697
557 1 9 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.635 0.305 19697
558 1 9 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.698 -0.078 19697
559 1 9 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.908 1.756 19697
560 1 9 . 1 1 3 3 ILE H H 3 8.528 8.528 6.944 1.584 19697
561 1 9 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.128 0.745 19697
562 1 9 . 1 1 4 4 CYS CA C 4 53.889 53.889 59.969 -6.080 19697
563 1 9 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.369 12.287 19697
564 1 9 . 1 1 4 4 CYS H H 4 7.479 7.479 8.487 -1.008 19697
565 1 9 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.581 -0.133 19697
566 1 9 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.102 -2.990 19697
567 1 9 . 1 1 5 5 CYS CB C 5 48.601 48.601 27.988 20.613 19697
568 1 9 . 1 1 5 5 CYS H H 5 8.911 8.911 8.366 0.545 19697
569 1 9 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.848 0.140 19697
570 1 9 . 1 1 6 6 GLY H H 6 8.775 8.775 8.963 -0.188 19697
571 1 9 . 1 1 7 7 CYS HA H 7 5.886 5.886 4.952 0.934 19697
572 1 9 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.432 -2.202 19697
573 1 9 . 1 1 7 7 CYS CB C 7 49.511 49.511 26.985 22.526 19697
574 1 9 . 1 1 7 7 CYS H H 7 8.549 8.549 8.400 0.149 19697
575 1 9 . 1 1 8 8 TYR HA H 8 4.969 4.969 4.969 -0.000 19697
576 1 9 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.144 1.138 19697
577 1 9 . 1 1 8 8 TYR H H 8 8.822 8.822 8.247 0.575 19697
578 1 9 . 1 1 9 9 TRP HA H 9 5.200 5.200 5.097 0.103 19697
579 1 9 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.218 -2.837 19697
580 1 9 . 1 1 9 9 TRP CB C 9 30.503 30.503 30.358 0.145 19697
581 1 9 . 1 1 9 9 TRP H H 9 8.925 8.925 8.724 0.201 19697
582 1 9 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.848 0.365 19697
583 1 9 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.889 0.297 19697
584 1 9 . 1 1 10 10 ASN H H 10 7.907 7.907 8.090 -0.183 19697
585 1 9 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.590 -1.485 19697
586 1 9 . 1 1 11 11 GLY H H 11 5.471 5.471 8.646 -3.175 19697
587 1 9 . 1 1 12 12 SER HA H 12 4.331 4.331 4.798 -0.467 19697
588 1 9 . 1 1 12 12 SER CA C 12 59.238 59.238 58.231 1.007 19697
589 1 9 . 1 1 12 12 SER CB C 12 61.767 61.767 64.802 -3.035 19697
590 1 9 . 1 1 12 12 SER H H 12 7.867 7.867 7.923 -0.056 19697
591 1 9 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.899 0.443 19697
592 1 9 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.501 0.775 19697
593 1 9 . 1 1 13 13 LYS CB C 13 34.883 34.883 36.396 -1.513 19697
594 1 9 . 1 1 13 13 LYS H H 13 7.592 7.592 6.706 0.886 19697
595 1 9 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.964 0.234 19697
596 1 9 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.413 0.255 19697
597 1 9 . 1 1 14 14 ASP H H 14 8.560 8.560 8.283 0.277 19697
598 1 9 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.212 -0.156 19697
599 1 9 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.599 1.263 19697
600 1 9 . 1 1 15 15 VAL CB C 15 32.589 32.589 33.717 -1.128 19697
601 1 9 . 1 1 15 15 VAL H H 15 9.221 9.221 8.845 0.376 19697
602 1 9 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.447 0.284 19697
603 1 9 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.570 -2.348 19697
604 1 9 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.942 19.376 19697
605 1 9 . 1 1 16 16 CYS H H 16 9.018 9.018 8.858 0.160 19697
606 1 9 . 1 1 17 17 SER HA H 17 4.697 4.697 4.558 0.139 19697
607 1 9 . 1 1 17 17 SER CA C 17 56.982 56.982 58.379 -1.397 19697
608 1 9 . 1 1 17 17 SER CB C 17 65.236 65.236 64.672 0.564 19697
609 1 9 . 1 1 17 17 SER H H 17 8.890 8.890 9.153 -0.263 19697
610 1 9 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.642 0.973 19697
611 1 9 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.230 -0.047 19697
612 1 9 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.747 1.101 19697
613 1 9 . 1 1 18 18 GLN H H 18 9.032 9.032 8.537 0.495 19697
614 1 9 . 1 1 19 19 SER HA H 19 4.358 4.358 4.420 -0.062 19697
615 1 9 . 1 1 19 19 SER CA C 19 61.521 61.521 60.868 0.653 19697
616 1 9 . 1 1 19 19 SER CB C 19 63.399 63.399 63.664 -0.265 19697
617 1 9 . 1 1 19 19 SER H H 19 8.519 8.519 9.053 -0.534 19697
618 1 9 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.578 -0.057 19697
619 1 9 . 1 1 20 20 CYS CA C 20 55.452 55.452 58.708 -3.256 19697
620 1 9 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.121 13.538 19697
621 1 9 . 1 1 20 20 CYS H H 20 7.557 7.557 8.588 -1.031 19697
622 1 10 . 1 1 2 2 ARG HA H 2 4.442 4.442 4.310 0.132 19697
623 1 10 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.584 -0.090 19697
624 1 10 . 1 1 2 2 ARG CB C 2 31.602 31.602 28.742 2.860 19697
625 1 10 . 1 1 2 2 ARG H H 2 7.138 7.138 8.459 -1.321 19697
626 1 10 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.926 0.014 19697
627 1 10 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.075 0.545 19697
628 1 10 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.488 2.176 19697
629 1 10 . 1 1 3 3 ILE H H 3 8.528 8.528 7.253 1.275 19697
630 1 10 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.224 0.649 19697
631 1 10 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.455 -6.566 19697
632 1 10 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.179 12.477 19697
633 1 10 . 1 1 4 4 CYS H H 4 7.479 7.479 8.380 -0.901 19697
634 1 10 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.740 -0.292 19697
635 1 10 . 1 1 5 5 CYS CA C 5 55.112 55.112 56.716 -1.604 19697
636 1 10 . 1 1 5 5 CYS CB C 5 48.601 48.601 29.725 18.876 19697
637 1 10 . 1 1 5 5 CYS H H 5 8.911 8.911 8.687 0.224 19697
638 1 10 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.908 0.080 19697
639 1 10 . 1 1 6 6 GLY H H 6 8.775 8.775 8.658 0.117 19697
640 1 10 . 1 1 7 7 CYS HA H 7 5.886 5.886 4.993 0.893 19697
641 1 10 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.270 -2.040 19697
642 1 10 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.183 22.328 19697
643 1 10 . 1 1 7 7 CYS H H 7 8.549 8.549 8.337 0.212 19697
644 1 10 . 1 1 8 8 TYR HA H 8 4.969 4.969 4.938 0.031 19697
645 1 10 . 1 1 8 8 TYR CB C 8 41.282 41.282 39.797 1.485 19697
646 1 10 . 1 1 8 8 TYR H H 8 8.822 8.822 8.578 0.244 19697
647 1 10 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.890 0.310 19697
648 1 10 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.534 -3.153 19697
649 1 10 . 1 1 9 9 TRP CB C 9 30.503 30.503 29.997 0.506 19697
650 1 10 . 1 1 9 9 TRP H H 9 8.925 8.925 8.838 0.087 19697
651 1 10 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.630 0.583 19697
652 1 10 . 1 1 10 10 ASN CB C 10 39.186 39.186 37.495 1.691 19697
653 1 10 . 1 1 10 10 ASN H H 10 7.907 7.907 8.321 -0.414 19697
654 1 10 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.978 -1.873 19697
655 1 10 . 1 1 11 11 GLY H H 11 5.471 5.471 8.446 -2.975 19697
656 1 10 . 1 1 12 12 SER HA H 12 4.331 4.331 4.649 -0.318 19697
657 1 10 . 1 1 12 12 SER CA C 12 59.238 59.238 58.267 0.971 19697
658 1 10 . 1 1 12 12 SER CB C 12 61.767 61.767 64.087 -2.320 19697
659 1 10 . 1 1 12 12 SER H H 12 7.867 7.867 8.169 -0.302 19697
660 1 10 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.765 0.577 19697
661 1 10 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.834 0.442 19697
662 1 10 . 1 1 13 13 LYS CB C 13 34.883 34.883 35.895 -1.012 19697
663 1 10 . 1 1 13 13 LYS H H 13 7.592 7.592 6.923 0.669 19697
664 1 10 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.977 0.221 19697
665 1 10 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.251 0.417 19697
666 1 10 . 1 1 14 14 ASP H H 14 8.560 8.560 8.341 0.219 19697
667 1 10 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.321 -0.265 19697
668 1 10 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.691 1.171 19697
669 1 10 . 1 1 15 15 VAL CB C 15 32.589 32.589 33.833 -1.244 19697
670 1 10 . 1 1 15 15 VAL H H 15 9.221 9.221 9.086 0.135 19697
671 1 10 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.243 0.488 19697
672 1 10 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.645 -2.423 19697
673 1 10 . 1 1 16 16 CYS CB C 16 47.318 47.318 29.222 18.096 19697
674 1 10 . 1 1 16 16 CYS H H 16 9.018 9.018 8.829 0.189 19697
675 1 10 . 1 1 17 17 SER HA H 17 4.697 4.697 4.529 0.168 19697
676 1 10 . 1 1 17 17 SER CA C 17 56.982 56.982 57.849 -0.868 19697
677 1 10 . 1 1 17 17 SER CB C 17 65.236 65.236 64.999 0.237 19697
678 1 10 . 1 1 17 17 SER H H 17 8.890 8.890 9.006 -0.116 19697
679 1 10 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.544 1.071 19697
680 1 10 . 1 1 18 18 GLN CA C 18 55.183 55.183 54.949 0.234 19697
681 1 10 . 1 1 18 18 GLN CB C 18 29.848 29.848 27.891 1.957 19697
682 1 10 . 1 1 18 18 GLN H H 18 9.032 9.032 8.666 0.366 19697
683 1 10 . 1 1 19 19 SER HA H 19 4.358 4.358 4.371 -0.013 19697
684 1 10 . 1 1 19 19 SER CA C 19 61.521 61.521 61.193 0.328 19697
685 1 10 . 1 1 19 19 SER CB C 19 63.399 63.399 63.697 -0.298 19697
686 1 10 . 1 1 19 19 SER H H 19 8.519 8.519 7.959 0.560 19697
687 1 10 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.768 -0.247 19697
688 1 10 . 1 1 20 20 CYS CA C 20 55.452 55.452 59.366 -3.914 19697
689 1 10 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.596 13.062 19697
690 1 10 . 1 1 20 20 CYS H H 20 7.557 7.557 8.404 -0.847 19697
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 0 0.000 0.000 0.000 19697
2 1 1 "Average Difference" HA 21 0.500 -0.299 0.411 19697
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19697
4 1 1 "Average Difference" CA 16 2.304 0.986 2.151 19697
5 1 1 "Average Difference" CB 17 9.617 -5.518 8.119 19697
6 1 1 "Average Difference" HN 19 0.863 -0.033 0.886 19697
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19697
8 1 2 "Average Difference" HA 21 0.531 -0.284 0.460 19697
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19697
10 1 2 "Average Difference" CA 16 2.416 1.258 2.130 19697
11 1 2 "Average Difference" CB 17 9.936 -5.331 8.643 19697
12 1 2 "Average Difference" HN 19 0.905 0.110 0.923 19697
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19697
14 1 3 "Average Difference" HA 21 0.510 -0.289 0.430 19697
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19697
16 1 3 "Average Difference" CA 16 2.465 1.367 2.119 19697
17 1 3 "Average Difference" CB 17 9.598 -5.418 8.166 19697
18 1 3 "Average Difference" HN 19 0.872 0.104 0.889 19697
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19697
20 1 4 "Average Difference" HA 21 0.517 -0.330 0.409 19697
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19697
22 1 4 "Average Difference" CA 16 2.204 1.023 2.016 19697
23 1 4 "Average Difference" CB 17 9.860 -5.584 8.376 19697
24 1 4 "Average Difference" HN 19 0.897 0.102 0.916 19697
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19697
26 1 5 "Average Difference" HA 21 0.498 -0.273 0.426 19697
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19697
28 1 5 "Average Difference" CA 16 2.364 1.345 2.008 19697
29 1 5 "Average Difference" CB 17 9.833 -5.368 8.492 19697
30 1 5 "Average Difference" HN 19 0.918 0.168 0.928 19697
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19697
32 1 6 "Average Difference" HA 21 0.593 -0.343 0.495 19697
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19697
34 1 6 "Average Difference" CA 16 2.382 1.128 2.167 19697
35 1 6 "Average Difference" CB 17 9.721 -5.609 8.184 19697
36 1 6 "Average Difference" HN 19 0.933 -0.070 0.955 19697
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19697
38 1 7 "Average Difference" HA 21 0.480 -0.241 0.425 19697
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19697
40 1 7 "Average Difference" CA 16 2.171 0.921 2.031 19697
41 1 7 "Average Difference" CB 17 9.719 -5.075 8.543 19697
42 1 7 "Average Difference" HN 19 0.976 0.098 0.997 19697
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19697
44 1 8 "Average Difference" HA 21 0.505 -0.281 0.430 19697
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19697
46 1 8 "Average Difference" CA 16 2.267 1.022 2.090 19697
47 1 8 "Average Difference" CB 17 10.153 -5.262 8.951 19697
48 1 8 "Average Difference" HN 19 0.953 0.137 0.969 19697
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19697
50 1 9 "Average Difference" HA 21 0.462 -0.244 0.401 19697
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19697
52 1 9 "Average Difference" CA 16 2.307 1.083 2.103 19697
53 1 9 "Average Difference" CB 17 9.896 -5.272 8.632 19697
54 1 9 "Average Difference" HN 19 0.968 0.108 0.988 19697
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19697
56 1 10 "Average Difference" HA 21 0.504 -0.284 0.426 19697
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19697
58 1 10 "Average Difference" CA 16 2.348 1.172 2.101 19697
59 1 10 "Average Difference" CB 17 9.515 -5.370 8.096 19697
60 1 10 "Average Difference" HN 19 0.894 0.136 0.908 19697
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 19697
_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 ARG HA H 2 4.442 4.442 4.448 -0.005 19697
2 1 . 1 1 2 2 ARG CA C 2 55.494 55.494 55.030 0.464 19697
3 1 . 1 1 2 2 ARG CB C 2 31.602 31.602 29.358 2.244 19697
4 1 . 1 1 2 2 ARG H H 2 7.138 7.138 8.373 -1.235 19697
5 1 . 1 1 3 3 ILE HA H 3 3.940 3.940 3.794 0.146 19697
6 1 . 1 1 3 3 ILE CA C 3 62.620 62.620 62.209 0.411 19697
7 1 . 1 1 3 3 ILE CB C 3 37.664 37.664 35.783 1.881 19697
8 1 . 1 1 3 3 ILE H H 3 8.528 8.528 7.146 1.382 19697
9 1 . 1 1 4 4 CYS HA H 4 4.873 4.873 4.147 0.726 19697
10 1 . 1 1 4 4 CYS CA C 4 53.889 53.889 60.144 -6.255 19697
11 1 . 1 1 4 4 CYS CB C 4 39.656 39.656 27.412 12.245 19697
12 1 . 1 1 4 4 CYS H H 4 7.479 7.479 8.405 -0.926 19697
13 1 . 1 1 5 5 CYS HA H 5 5.448 5.448 5.548 -0.100 19697
14 1 . 1 1 5 5 CYS CA C 5 55.112 55.112 58.284 -3.171 19697
15 1 . 1 1 5 5 CYS CB C 5 48.601 48.601 28.567 20.034 19697
16 1 . 1 1 5 5 CYS H H 5 8.911 8.911 8.448 0.463 19697
17 1 . 1 1 6 6 GLY CA C 6 44.988 44.988 44.917 0.071 19697
18 1 . 1 1 6 6 GLY H H 6 8.775 8.775 8.657 0.118 19697
19 1 . 1 1 7 7 CYS HA H 7 5.886 5.886 4.981 0.905 19697
20 1 . 1 1 7 7 CYS CA C 7 55.230 55.230 57.467 -2.237 19697
21 1 . 1 1 7 7 CYS CB C 7 49.511 49.511 27.559 21.952 19697
22 1 . 1 1 7 7 CYS H H 7 8.549 8.549 8.308 0.241 19697
23 1 . 1 1 8 8 TYR HA H 8 4.969 4.969 5.010 -0.041 19697
24 1 . 1 1 8 8 TYR CB C 8 41.282 41.282 40.076 1.206 19697
25 1 . 1 1 8 8 TYR H H 8 8.822 8.822 8.366 0.456 19697
26 1 . 1 1 9 9 TRP HA H 9 5.200 5.200 4.997 0.203 19697
27 1 . 1 1 9 9 TRP CA C 9 54.381 54.381 57.303 -2.923 19697
28 1 . 1 1 9 9 TRP CB C 9 30.503 30.503 30.035 0.468 19697
29 1 . 1 1 9 9 TRP H H 9 8.925 8.925 8.819 0.106 19697
30 1 . 1 1 10 10 ASN HA H 10 5.213 5.213 4.718 0.495 19697
31 1 . 1 1 10 10 ASN CB C 10 39.186 39.186 38.303 0.883 19697
32 1 . 1 1 10 10 ASN H H 10 7.907 7.907 8.210 -0.303 19697
33 1 . 1 1 11 11 GLY CA C 11 45.105 45.105 46.907 -1.802 19697
34 1 . 1 1 11 11 GLY H H 11 5.471 5.471 8.459 -2.987 19697
35 1 . 1 1 12 12 SER HA H 12 4.331 4.331 4.676 -0.345 19697
36 1 . 1 1 12 12 SER CA C 12 59.238 59.238 58.313 0.925 19697
37 1 . 1 1 12 12 SER CB C 12 61.767 61.767 64.421 -2.654 19697
38 1 . 1 1 12 12 SER H H 12 7.867 7.867 8.007 -0.140 19697
39 1 . 1 1 13 13 LYS HA H 13 4.342 4.342 3.819 0.523 19697
40 1 . 1 1 13 13 LYS CA C 13 55.276 55.276 54.434 0.842 19697
41 1 . 1 1 13 13 LYS CB C 13 34.883 34.883 35.286 -0.403 19697
42 1 . 1 1 13 13 LYS H H 13 7.592 7.592 6.811 0.780 19697
43 1 . 1 1 14 14 ASP HA H 14 5.198 5.198 4.944 0.254 19697
44 1 . 1 1 14 14 ASP CB C 14 41.668 41.668 41.264 0.404 19697
45 1 . 1 1 14 14 ASP H H 14 8.560 8.560 8.319 0.241 19697
46 1 . 1 1 15 15 VAL HA H 15 4.056 4.056 4.234 -0.178 19697
47 1 . 1 1 15 15 VAL CA C 15 61.862 61.862 60.684 1.178 19697
48 1 . 1 1 15 15 VAL CB C 15 32.589 32.589 33.474 -0.885 19697
49 1 . 1 1 15 15 VAL H H 15 9.221 9.221 8.956 0.266 19697
50 1 . 1 1 16 16 CYS HA H 16 5.731 5.731 5.082 0.649 19697
51 1 . 1 1 16 16 CYS CA C 16 55.222 55.222 57.774 -2.552 19697
52 1 . 1 1 16 16 CYS CB C 16 47.318 47.318 27.810 19.508 19697
53 1 . 1 1 16 16 CYS H H 16 9.018 9.018 8.773 0.245 19697
54 1 . 1 1 17 17 SER HA H 17 4.697 4.697 4.597 0.100 19697
55 1 . 1 1 17 17 SER CA C 17 56.982 56.982 57.815 -0.834 19697
56 1 . 1 1 17 17 SER CB C 17 65.236 65.236 65.305 -0.069 19697
57 1 . 1 1 17 17 SER H H 17 8.890 8.890 8.882 0.008 19697
58 1 . 1 1 18 18 GLN HA H 18 5.615 5.615 4.556 1.059 19697
59 1 . 1 1 18 18 GLN CA C 18 55.183 55.183 55.389 -0.206 19697
60 1 . 1 1 18 18 GLN CB C 18 29.848 29.848 28.425 1.422 19697
61 1 . 1 1 18 18 GLN H H 18 9.032 9.032 8.685 0.347 19697
62 1 . 1 1 19 19 SER HA H 19 4.358 4.358 4.417 -0.059 19697
63 1 . 1 1 19 19 SER CA C 19 61.521 61.521 60.931 0.590 19697
64 1 . 1 1 19 19 SER CB C 19 63.399 63.399 63.819 -0.420 19697
65 1 . 1 1 19 19 SER H H 19 8.519 8.519 8.462 0.057 19697
66 1 . 1 1 20 20 CYS HA H 20 4.521 4.521 4.729 -0.208 19697
67 1 . 1 1 20 20 CYS CA C 20 55.452 55.452 58.043 -2.591 19697
68 1 . 1 1 20 20 CYS CB C 20 39.659 39.659 26.001 13.658 19697
69 1 . 1 1 20 20 CYS H H 20 7.557 7.557 8.309 -0.752 19697
stop_
save_