data_25122
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25122
_Entry.PDB_ID 2MSF
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 25122
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.740 -0.243 25122
2 1 1 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.663 0.486 25122
3 1 1 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.666 -0.182 25122
4 1 1 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.238 0.096 25122
5 1 1 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.376 -0.045 25122
6 1 1 . 1 1 3 3 LYS CB C 3 33.376 33.376 33.057 0.319 25122
7 1 1 . 1 1 3 3 LYS H H 3 8.726 8.726 8.756 -0.030 25122
8 1 1 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.077 1.153 25122
9 1 1 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.551 -4.556 25122
10 1 1 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.590 18.741 25122
11 1 1 . 1 1 4 4 CYS H H 4 8.164 8.164 7.838 0.326 25122
12 1 1 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.160 2.521 25122
13 1 1 . 1 1 5 5 GLY H H 5 9.544 9.544 8.678 0.866 25122
14 1 1 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.591 0.113 25122
15 1 1 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.928 -2.282 25122
16 1 1 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.522 -0.535 25122
17 1 1 . 1 1 6 6 LEU H H 6 6.355 6.355 7.695 -1.340 25122
18 1 1 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.096 -1.019 25122
19 1 1 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.121 -0.963 25122
20 1 1 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.009 9.739 25122
21 1 1 . 1 1 7 7 CYS H H 7 8.277 8.277 8.048 0.229 25122
22 1 1 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.845 -0.001 25122
23 1 1 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.712 1.792 25122
24 1 1 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.723 -1.883 25122
25 1 1 . 1 1 8 8 ARG H H 8 9.053 9.053 8.876 0.177 25122
26 1 1 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.361 0.401 25122
27 1 1 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.489 -3.682 25122
28 1 1 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.193 -0.196 25122
29 1 1 . 1 1 9 9 TYR H H 9 8.548 8.548 8.264 0.284 25122
30 1 1 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.577 0.242 25122
31 1 1 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.129 -1.845 25122
32 1 1 . 1 1 10 10 ARG H H 10 8.678 8.678 7.729 0.949 25122
33 1 1 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.755 -0.371 25122
34 1 1 . 1 1 11 11 CYS CA C 11 55.732 55.732 60.048 -4.316 25122
35 1 1 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.639 13.378 25122
36 1 1 . 1 1 11 11 CYS H H 11 7.889 7.889 8.590 -0.701 25122
37 1 1 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.271 11.954 25122
38 1 1 . 1 1 12 12 CYS H H 12 9.242 9.242 8.814 0.428 25122
39 1 1 . 1 1 13 13 SER HA H 13 4.084 4.084 4.693 -0.609 25122
40 1 1 . 1 1 13 13 SER CA C 13 59.982 59.982 58.681 1.301 25122
41 1 1 . 1 1 13 13 SER CB C 13 61.752 61.752 63.879 -2.127 25122
42 1 1 . 1 1 13 13 SER H H 13 9.390 9.390 8.310 1.080 25122
43 1 1 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.792 0.101 25122
44 1 1 . 1 1 14 14 GLY H H 14 8.245 8.245 8.204 0.041 25122
45 1 1 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.603 -1.294 25122
46 1 1 . 1 1 15 15 GLY H H 15 7.870 7.870 7.949 -0.079 25122
47 1 1 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.350 0.515 25122
48 1 1 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.506 18.800 25122
49 1 1 . 1 1 16 16 CYS H H 16 8.751 8.751 8.502 0.249 25122
50 1 1 . 1 1 17 17 SER HA H 17 4.370 4.370 4.357 0.013 25122
51 1 1 . 1 1 17 17 SER CA C 17 60.383 60.383 60.144 0.239 25122
52 1 1 . 1 1 17 17 SER CB C 17 63.143 63.143 63.796 -0.653 25122
53 1 1 . 1 1 17 17 SER H H 17 9.676 9.676 8.513 1.163 25122
54 1 1 . 1 1 18 18 SER HA H 18 4.588 4.588 4.562 0.026 25122
55 1 1 . 1 1 18 18 SER CA C 18 58.071 58.071 59.620 -1.549 25122
56 1 1 . 1 1 18 18 SER CB C 18 65.980 65.980 64.108 1.872 25122
57 1 1 . 1 1 18 18 SER H H 18 7.584 7.584 8.079 -0.495 25122
58 1 1 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.221 -0.042 25122
59 1 1 . 1 1 19 19 GLY H H 19 8.248 8.248 7.777 0.471 25122
60 1 1 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.471 0.146 25122
61 1 1 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.606 -1.704 25122
62 1 1 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.099 1.879 25122
63 1 1 . 1 1 20 20 LYS H H 20 8.045 8.045 8.063 -0.018 25122
64 1 1 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.289 0.229 25122
65 1 1 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.821 -2.785 25122
66 1 1 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.333 14.246 25122
67 1 1 . 1 1 21 21 CYS H H 21 9.289 9.289 8.996 0.293 25122
68 1 1 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.933 0.341 25122
69 1 1 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.488 -2.256 25122
70 1 1 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.398 2.436 25122
71 1 1 . 1 1 22 22 VAL H H 22 9.531 9.531 9.116 0.415 25122
72 1 1 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.673 -0.290 25122
73 1 1 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.934 0.333 25122
74 1 1 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.566 -1.292 25122
75 1 1 . 1 1 23 23 ASN H H 23 9.697 9.697 8.033 1.664 25122
76 1 1 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.389 0.826 25122
77 1 1 . 1 1 24 24 GLY H H 24 8.451 8.451 8.038 0.413 25122
78 1 1 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.521 0.549 25122
79 1 1 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.954 1.192 25122
80 1 1 . 1 1 25 25 ALA H H 25 8.037 8.037 7.386 0.651 25122
81 1 1 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.485 0.267 25122
82 1 1 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.422 -4.149 25122
83 1 1 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.849 14.647 25122
84 1 1 . 1 1 26 26 CYS H H 26 8.901 8.901 8.676 0.225 25122
85 1 1 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.688 0.198 25122
86 1 1 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.073 0.476 25122
87 1 1 . 1 1 27 27 ASP H H 27 9.766 9.766 8.127 1.639 25122
88 1 1 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.236 0.526 25122
89 1 1 . 1 1 28 28 CYS CA C 28 53.834 53.834 59.568 -5.734 25122
90 1 1 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.513 14.863 25122
91 1 1 . 1 1 28 28 CYS H H 28 9.651 9.651 8.091 1.560 25122
92 1 2 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.705 -0.208 25122
93 1 2 . 1 1 2 2 PRO CA C 2 63.150 63.150 63.021 0.129 25122
94 1 2 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.629 -0.145 25122
95 1 2 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.152 0.182 25122
96 1 2 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.649 -0.318 25122
97 1 2 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.657 0.719 25122
98 1 2 . 1 1 3 3 LYS H H 3 8.726 8.726 8.564 0.162 25122
99 1 2 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.162 1.068 25122
100 1 2 . 1 1 4 4 CYS CA C 4 53.995 53.995 59.188 -5.192 25122
101 1 2 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.506 18.825 25122
102 1 2 . 1 1 4 4 CYS H H 4 8.164 8.164 7.536 0.628 25122
103 1 2 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.955 2.726 25122
104 1 2 . 1 1 5 5 GLY H H 5 9.544 9.544 8.725 0.819 25122
105 1 2 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.610 0.094 25122
106 1 2 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.566 -1.920 25122
107 1 2 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.484 -0.498 25122
108 1 2 . 1 1 6 6 LEU H H 6 6.355 6.355 7.765 -1.410 25122
109 1 2 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.280 -1.203 25122
110 1 2 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.826 -0.668 25122
111 1 2 . 1 1 7 7 CYS CB C 7 38.748 38.748 28.779 9.969 25122
112 1 2 . 1 1 7 7 CYS H H 7 8.277 8.277 8.055 0.222 25122
113 1 2 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.845 -0.001 25122
114 1 2 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.834 1.671 25122
115 1 2 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.536 -1.696 25122
116 1 2 . 1 1 8 8 ARG H H 8 9.053 9.053 9.161 -0.108 25122
117 1 2 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.285 0.477 25122
118 1 2 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.487 -3.680 25122
119 1 2 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.959 0.038 25122
120 1 2 . 1 1 9 9 TYR H H 9 8.548 8.548 8.369 0.179 25122
121 1 2 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.525 0.294 25122
122 1 2 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.394 -2.110 25122
123 1 2 . 1 1 10 10 ARG H H 10 8.678 8.678 7.690 0.988 25122
124 1 2 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.917 -0.533 25122
125 1 2 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.530 -3.798 25122
126 1 2 . 1 1 11 11 CYS CB C 11 40.017 40.017 27.208 12.809 25122
127 1 2 . 1 1 11 11 CYS H H 11 7.889 7.889 8.632 -0.743 25122
128 1 2 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.464 11.761 25122
129 1 2 . 1 1 12 12 CYS H H 12 9.242 9.242 8.800 0.442 25122
130 1 2 . 1 1 13 13 SER HA H 13 4.084 4.084 4.528 -0.444 25122
131 1 2 . 1 1 13 13 SER CA C 13 59.982 59.982 58.247 1.735 25122
132 1 2 . 1 1 13 13 SER CB C 13 61.752 61.752 63.909 -2.157 25122
133 1 2 . 1 1 13 13 SER H H 13 9.390 9.390 8.275 1.115 25122
134 1 2 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.913 -0.020 25122
135 1 2 . 1 1 14 14 GLY H H 14 8.245 8.245 8.173 0.072 25122
136 1 2 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.041 -0.732 25122
137 1 2 . 1 1 15 15 GLY H H 15 7.870 7.870 7.794 0.076 25122
138 1 2 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.388 0.477 25122
139 1 2 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.370 17.936 25122
140 1 2 . 1 1 16 16 CYS H H 16 8.751 8.751 8.485 0.266 25122
141 1 2 . 1 1 17 17 SER HA H 17 4.370 4.370 4.516 -0.146 25122
142 1 2 . 1 1 17 17 SER CA C 17 60.383 60.383 59.666 0.717 25122
143 1 2 . 1 1 17 17 SER CB C 17 63.143 63.143 64.047 -0.904 25122
144 1 2 . 1 1 17 17 SER H H 17 9.676 9.676 8.697 0.979 25122
145 1 2 . 1 1 18 18 SER HA H 18 4.588 4.588 4.610 -0.022 25122
146 1 2 . 1 1 18 18 SER CA C 18 58.071 58.071 59.848 -1.777 25122
147 1 2 . 1 1 18 18 SER CB C 18 65.980 65.980 64.428 1.552 25122
148 1 2 . 1 1 18 18 SER H H 18 7.584 7.584 8.184 -0.600 25122
149 1 2 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.309 -0.131 25122
150 1 2 . 1 1 19 19 GLY H H 19 8.248 8.248 7.679 0.569 25122
151 1 2 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.265 0.352 25122
152 1 2 . 1 1 20 20 LYS CA C 20 53.902 53.902 56.176 -2.274 25122
153 1 2 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.353 2.625 25122
154 1 2 . 1 1 20 20 LYS H H 20 8.045 8.045 7.967 0.078 25122
155 1 2 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.301 0.217 25122
156 1 2 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.941 -2.905 25122
157 1 2 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.192 14.387 25122
158 1 2 . 1 1 21 21 CYS H H 21 9.289 9.289 8.953 0.336 25122
159 1 2 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.912 0.362 25122
160 1 2 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.408 -2.176 25122
161 1 2 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.745 2.089 25122
162 1 2 . 1 1 22 22 VAL H H 22 9.531 9.531 9.070 0.461 25122
163 1 2 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.649 -0.266 25122
164 1 2 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.665 0.602 25122
165 1 2 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.312 -1.038 25122
166 1 2 . 1 1 23 23 ASN H H 23 9.697 9.697 7.875 1.822 25122
167 1 2 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.195 1.020 25122
168 1 2 . 1 1 24 24 GLY H H 24 8.451 8.451 7.967 0.484 25122
169 1 2 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.567 0.503 25122
170 1 2 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.793 1.353 25122
171 1 2 . 1 1 25 25 ALA H H 25 8.037 8.037 7.466 0.571 25122
172 1 2 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.503 0.249 25122
173 1 2 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.553 -4.280 25122
174 1 2 . 1 1 26 26 CYS CB C 26 40.496 40.496 26.057 14.439 25122
175 1 2 . 1 1 26 26 CYS H H 26 8.901 8.901 8.685 0.216 25122
176 1 2 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.861 0.025 25122
177 1 2 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.656 -0.106 25122
178 1 2 . 1 1 27 27 ASP H H 27 9.766 9.766 8.053 1.713 25122
179 1 2 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.443 0.319 25122
180 1 2 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.134 -4.300 25122
181 1 2 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.321 15.055 25122
182 1 2 . 1 1 28 28 CYS H H 28 9.651 9.651 8.324 1.327 25122
183 1 3 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.780 -0.283 25122
184 1 3 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.923 0.227 25122
185 1 3 . 1 1 2 2 PRO CB C 2 32.484 32.484 33.070 -0.586 25122
186 1 3 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.130 0.204 25122
187 1 3 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.282 0.049 25122
188 1 3 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.772 0.605 25122
189 1 3 . 1 1 3 3 LYS H H 3 8.726 8.726 8.974 -0.248 25122
190 1 3 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.334 0.896 25122
191 1 3 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.757 -4.761 25122
192 1 3 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.328 19.003 25122
193 1 3 . 1 1 4 4 CYS H H 4 8.164 8.164 7.537 0.627 25122
194 1 3 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.846 2.835 25122
195 1 3 . 1 1 5 5 GLY H H 5 9.544 9.544 8.843 0.701 25122
196 1 3 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.614 0.090 25122
197 1 3 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.579 -1.933 25122
198 1 3 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.603 -0.616 25122
199 1 3 . 1 1 6 6 LEU H H 6 6.355 6.355 7.739 -1.384 25122
200 1 3 . 1 1 7 7 CYS HA H 7 4.077 4.077 4.864 -0.787 25122
201 1 3 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.167 -1.009 25122
202 1 3 . 1 1 7 7 CYS CB C 7 38.748 38.748 28.323 10.425 25122
203 1 3 . 1 1 7 7 CYS H H 7 8.277 8.277 8.051 0.226 25122
204 1 3 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.919 -0.075 25122
205 1 3 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.660 1.844 25122
206 1 3 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.433 -1.593 25122
207 1 3 . 1 1 8 8 ARG H H 8 9.053 9.053 8.959 0.094 25122
208 1 3 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.357 0.405 25122
209 1 3 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.044 -3.237 25122
210 1 3 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.807 0.190 25122
211 1 3 . 1 1 9 9 TYR H H 9 8.548 8.548 8.371 0.177 25122
212 1 3 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.659 0.160 25122
213 1 3 . 1 1 10 10 ARG CB C 10 30.284 30.284 31.387 -1.103 25122
214 1 3 . 1 1 10 10 ARG H H 10 8.678 8.678 7.817 0.861 25122
215 1 3 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.939 -0.555 25122
216 1 3 . 1 1 11 11 CYS CA C 11 55.732 55.732 60.260 -4.528 25122
217 1 3 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.317 13.700 25122
218 1 3 . 1 1 11 11 CYS H H 11 7.889 7.889 8.053 -0.164 25122
219 1 3 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.765 11.460 25122
220 1 3 . 1 1 12 12 CYS H H 12 9.242 9.242 8.854 0.388 25122
221 1 3 . 1 1 13 13 SER HA H 13 4.084 4.084 4.484 -0.400 25122
222 1 3 . 1 1 13 13 SER CA C 13 59.982 59.982 58.659 1.323 25122
223 1 3 . 1 1 13 13 SER CB C 13 61.752 61.752 62.966 -1.214 25122
224 1 3 . 1 1 13 13 SER H H 13 9.390 9.390 8.484 0.906 25122
225 1 3 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.368 -0.475 25122
226 1 3 . 1 1 14 14 GLY H H 14 8.245 8.245 8.061 0.184 25122
227 1 3 . 1 1 15 15 GLY CA C 15 44.309 44.309 44.798 -0.489 25122
228 1 3 . 1 1 15 15 GLY H H 15 7.870 7.870 8.006 -0.136 25122
229 1 3 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.456 0.409 25122
230 1 3 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.760 18.546 25122
231 1 3 . 1 1 16 16 CYS H H 16 8.751 8.751 8.635 0.116 25122
232 1 3 . 1 1 17 17 SER HA H 17 4.370 4.370 4.347 0.023 25122
233 1 3 . 1 1 17 17 SER CA C 17 60.383 60.383 59.424 0.959 25122
234 1 3 . 1 1 17 17 SER CB C 17 63.143 63.143 63.827 -0.684 25122
235 1 3 . 1 1 17 17 SER H H 17 9.676 9.676 8.732 0.944 25122
236 1 3 . 1 1 18 18 SER HA H 18 4.588 4.588 4.396 0.192 25122
237 1 3 . 1 1 18 18 SER CA C 18 58.071 58.071 60.254 -2.183 25122
238 1 3 . 1 1 18 18 SER CB C 18 65.980 65.980 64.015 1.965 25122
239 1 3 . 1 1 18 18 SER H H 18 7.584 7.584 8.012 -0.428 25122
240 1 3 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.874 -0.696 25122
241 1 3 . 1 1 19 19 GLY H H 19 8.248 8.248 8.373 -0.125 25122
242 1 3 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.466 0.151 25122
243 1 3 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.068 -1.165 25122
244 1 3 . 1 1 20 20 LYS CB C 20 35.978 35.978 32.035 3.943 25122
245 1 3 . 1 1 20 20 LYS H H 20 8.045 8.045 8.015 0.030 25122
246 1 3 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.292 0.226 25122
247 1 3 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.458 -2.422 25122
248 1 3 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.481 15.098 25122
249 1 3 . 1 1 21 21 CYS H H 21 9.289 9.289 8.988 0.301 25122
250 1 3 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.820 0.454 25122
251 1 3 . 1 1 22 22 VAL CA C 22 62.232 62.232 65.126 -2.894 25122
252 1 3 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.449 2.385 25122
253 1 3 . 1 1 22 22 VAL H H 22 9.531 9.531 9.088 0.443 25122
254 1 3 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.833 -0.450 25122
255 1 3 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.336 0.931 25122
256 1 3 . 1 1 23 23 ASN CB C 23 37.274 37.274 40.676 -3.402 25122
257 1 3 . 1 1 23 23 ASN H H 23 9.697 9.697 8.529 1.168 25122
258 1 3 . 1 1 24 24 GLY CA C 24 46.215 46.215 46.055 0.160 25122
259 1 3 . 1 1 24 24 GLY H H 24 8.451 8.451 8.183 0.268 25122
260 1 3 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.754 0.316 25122
261 1 3 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.413 0.733 25122
262 1 3 . 1 1 25 25 ALA H H 25 8.037 8.037 7.593 0.444 25122
263 1 3 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.383 0.369 25122
264 1 3 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.230 -3.957 25122
265 1 3 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.283 15.213 25122
266 1 3 . 1 1 26 26 CYS H H 26 8.901 8.901 8.972 -0.071 25122
267 1 3 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.722 0.164 25122
268 1 3 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.098 0.451 25122
269 1 3 . 1 1 27 27 ASP H H 27 9.766 9.766 8.130 1.636 25122
270 1 3 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.498 0.264 25122
271 1 3 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.204 -4.370 25122
272 1 3 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.468 14.908 25122
273 1 3 . 1 1 28 28 CYS H H 28 9.651 9.651 8.045 1.606 25122
274 1 4 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.805 -0.308 25122
275 1 4 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.963 0.187 25122
276 1 4 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.852 -0.368 25122
277 1 4 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.256 0.078 25122
278 1 4 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.010 0.321 25122
279 1 4 . 1 1 3 3 LYS CB C 3 33.376 33.376 33.148 0.228 25122
280 1 4 . 1 1 3 3 LYS H H 3 8.726 8.726 8.774 -0.048 25122
281 1 4 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.294 0.936 25122
282 1 4 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.554 -4.559 25122
283 1 4 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.300 19.031 25122
284 1 4 . 1 1 4 4 CYS H H 4 8.164 8.164 7.908 0.256 25122
285 1 4 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.880 2.801 25122
286 1 4 . 1 1 5 5 GLY H H 5 9.544 9.544 8.878 0.666 25122
287 1 4 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.670 0.034 25122
288 1 4 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.550 -1.904 25122
289 1 4 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.803 -0.817 25122
290 1 4 . 1 1 6 6 LEU H H 6 6.355 6.355 7.735 -1.380 25122
291 1 4 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.118 -1.041 25122
292 1 4 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.320 -1.162 25122
293 1 4 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.236 9.512 25122
294 1 4 . 1 1 7 7 CYS H H 7 8.277 8.277 8.122 0.155 25122
295 1 4 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.852 -0.008 25122
296 1 4 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.867 1.637 25122
297 1 4 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.555 -1.715 25122
298 1 4 . 1 1 8 8 ARG H H 8 9.053 9.053 9.049 0.004 25122
299 1 4 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.379 0.383 25122
300 1 4 . 1 1 9 9 TYR CA C 9 56.807 56.807 59.468 -2.660 25122
301 1 4 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.166 -0.169 25122
302 1 4 . 1 1 9 9 TYR H H 9 8.548 8.548 8.341 0.207 25122
303 1 4 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.651 0.168 25122
304 1 4 . 1 1 10 10 ARG CB C 10 30.284 30.284 31.902 -1.618 25122
305 1 4 . 1 1 10 10 ARG H H 10 8.678 8.678 7.837 0.841 25122
306 1 4 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.732 -0.348 25122
307 1 4 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.865 -4.133 25122
308 1 4 . 1 1 11 11 CYS CB C 11 40.017 40.017 25.730 14.287 25122
309 1 4 . 1 1 11 11 CYS H H 11 7.889 7.889 8.699 -0.810 25122
310 1 4 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.643 11.582 25122
311 1 4 . 1 1 12 12 CYS H H 12 9.242 9.242 8.795 0.447 25122
312 1 4 . 1 1 13 13 SER HA H 13 4.084 4.084 4.461 -0.377 25122
313 1 4 . 1 1 13 13 SER CA C 13 59.982 59.982 58.614 1.368 25122
314 1 4 . 1 1 13 13 SER CB C 13 61.752 61.752 63.240 -1.488 25122
315 1 4 . 1 1 13 13 SER H H 13 9.390 9.390 8.459 0.931 25122
316 1 4 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.131 -0.238 25122
317 1 4 . 1 1 14 14 GLY H H 14 8.245 8.245 8.090 0.155 25122
318 1 4 . 1 1 15 15 GLY CA C 15 44.309 44.309 44.974 -0.665 25122
319 1 4 . 1 1 15 15 GLY H H 15 7.870 7.870 7.973 -0.103 25122
320 1 4 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.424 0.441 25122
321 1 4 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.771 18.535 25122
322 1 4 . 1 1 16 16 CYS H H 16 8.751 8.751 8.574 0.177 25122
323 1 4 . 1 1 17 17 SER HA H 17 4.370 4.370 4.297 0.073 25122
324 1 4 . 1 1 17 17 SER CA C 17 60.383 60.383 60.485 -0.102 25122
325 1 4 . 1 1 17 17 SER CB C 17 63.143 63.143 63.480 -0.337 25122
326 1 4 . 1 1 17 17 SER H H 17 9.676 9.676 8.788 0.888 25122
327 1 4 . 1 1 18 18 SER HA H 18 4.588 4.588 4.623 -0.035 25122
328 1 4 . 1 1 18 18 SER CA C 18 58.071 58.071 59.319 -1.248 25122
329 1 4 . 1 1 18 18 SER CB C 18 65.980 65.980 64.149 1.831 25122
330 1 4 . 1 1 18 18 SER H H 18 7.584 7.584 7.869 -0.285 25122
331 1 4 . 1 1 19 19 GLY CA C 19 45.178 45.178 44.548 0.630 25122
332 1 4 . 1 1 19 19 GLY H H 19 8.248 8.248 7.674 0.574 25122
333 1 4 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.294 0.323 25122
334 1 4 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.417 -1.516 25122
335 1 4 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.401 2.577 25122
336 1 4 . 1 1 20 20 LYS H H 20 8.045 8.045 8.076 -0.031 25122
337 1 4 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.198 0.320 25122
338 1 4 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.498 -2.462 25122
339 1 4 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.627 14.952 25122
340 1 4 . 1 1 21 21 CYS H H 21 9.289 9.289 8.977 0.312 25122
341 1 4 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.868 0.406 25122
342 1 4 . 1 1 22 22 VAL CA C 22 62.232 62.232 65.022 -2.791 25122
343 1 4 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.439 2.395 25122
344 1 4 . 1 1 22 22 VAL H H 22 9.531 9.531 9.026 0.505 25122
345 1 4 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.789 -0.406 25122
346 1 4 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.408 0.859 25122
347 1 4 . 1 1 23 23 ASN CB C 23 37.274 37.274 39.482 -2.208 25122
348 1 4 . 1 1 23 23 ASN H H 23 9.697 9.697 8.572 1.125 25122
349 1 4 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.443 0.772 25122
350 1 4 . 1 1 24 24 GLY H H 24 8.451 8.451 7.838 0.613 25122
351 1 4 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.611 0.459 25122
352 1 4 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.748 1.398 25122
353 1 4 . 1 1 25 25 ALA H H 25 8.037 8.037 7.500 0.537 25122
354 1 4 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.473 0.279 25122
355 1 4 . 1 1 26 26 CYS CA C 26 55.273 55.273 58.932 -3.659 25122
356 1 4 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.496 15.000 25122
357 1 4 . 1 1 26 26 CYS H H 26 8.901 8.901 8.839 0.062 25122
358 1 4 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.604 0.282 25122
359 1 4 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.359 0.190 25122
360 1 4 . 1 1 27 27 ASP H H 27 9.766 9.766 8.156 1.610 25122
361 1 4 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.369 0.393 25122
362 1 4 . 1 1 28 28 CYS CA C 28 53.834 53.834 59.092 -5.258 25122
363 1 4 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.642 14.734 25122
364 1 4 . 1 1 28 28 CYS H H 28 9.651 9.651 7.945 1.706 25122
365 1 5 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.964 -0.467 25122
366 1 5 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.491 0.659 25122
367 1 5 . 1 1 2 2 PRO CB C 2 32.484 32.484 33.110 -0.626 25122
368 1 5 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.022 0.312 25122
369 1 5 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.117 0.214 25122
370 1 5 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.381 0.995 25122
371 1 5 . 1 1 3 3 LYS H H 3 8.726 8.726 8.234 0.492 25122
372 1 5 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.048 1.182 25122
373 1 5 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.441 -4.446 25122
374 1 5 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.777 18.554 25122
375 1 5 . 1 1 4 4 CYS H H 4 8.164 8.164 6.692 1.472 25122
376 1 5 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.990 2.691 25122
377 1 5 . 1 1 5 5 GLY H H 5 9.544 9.544 8.763 0.781 25122
378 1 5 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.488 0.216 25122
379 1 5 . 1 1 6 6 LEU CA C 6 52.646 52.646 55.230 -2.584 25122
380 1 5 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.338 -0.351 25122
381 1 5 . 1 1 6 6 LEU H H 6 6.355 6.355 7.630 -1.275 25122
382 1 5 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.210 -1.133 25122
383 1 5 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.030 -0.872 25122
384 1 5 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.066 9.682 25122
385 1 5 . 1 1 7 7 CYS H H 7 8.277 8.277 8.052 0.225 25122
386 1 5 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.896 -0.052 25122
387 1 5 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.639 1.865 25122
388 1 5 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.124 -1.284 25122
389 1 5 . 1 1 8 8 ARG H H 8 9.053 9.053 9.097 -0.044 25122
390 1 5 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.393 0.369 25122
391 1 5 . 1 1 9 9 TYR CA C 9 56.807 56.807 59.784 -2.977 25122
392 1 5 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.667 0.330 25122
393 1 5 . 1 1 9 9 TYR H H 9 8.548 8.548 8.543 0.005 25122
394 1 5 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.623 0.196 25122
395 1 5 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.316 -2.032 25122
396 1 5 . 1 1 10 10 ARG H H 10 8.678 8.678 7.583 1.095 25122
397 1 5 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.842 -0.458 25122
398 1 5 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.982 -4.250 25122
399 1 5 . 1 1 11 11 CYS CB C 11 40.017 40.017 24.887 15.130 25122
400 1 5 . 1 1 11 11 CYS H H 11 7.889 7.889 8.199 -0.310 25122
401 1 5 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.668 11.557 25122
402 1 5 . 1 1 12 12 CYS H H 12 9.242 9.242 8.817 0.425 25122
403 1 5 . 1 1 13 13 SER HA H 13 4.084 4.084 4.520 -0.436 25122
404 1 5 . 1 1 13 13 SER CA C 13 59.982 59.982 58.277 1.705 25122
405 1 5 . 1 1 13 13 SER CB C 13 61.752 61.752 63.204 -1.452 25122
406 1 5 . 1 1 13 13 SER H H 13 9.390 9.390 8.539 0.851 25122
407 1 5 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.415 -0.522 25122
408 1 5 . 1 1 14 14 GLY H H 14 8.245 8.245 8.106 0.139 25122
409 1 5 . 1 1 15 15 GLY CA C 15 44.309 44.309 44.950 -0.641 25122
410 1 5 . 1 1 15 15 GLY H H 15 7.870 7.870 7.849 0.021 25122
411 1 5 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.555 0.310 25122
412 1 5 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.889 18.417 25122
413 1 5 . 1 1 16 16 CYS H H 16 8.751 8.751 8.634 0.117 25122
414 1 5 . 1 1 17 17 SER HA H 17 4.370 4.370 4.394 -0.024 25122
415 1 5 . 1 1 17 17 SER CA C 17 60.383 60.383 60.633 -0.250 25122
416 1 5 . 1 1 17 17 SER CB C 17 63.143 63.143 63.932 -0.789 25122
417 1 5 . 1 1 17 17 SER H H 17 9.676 9.676 8.773 0.903 25122
418 1 5 . 1 1 18 18 SER HA H 18 4.588 4.588 4.517 0.071 25122
419 1 5 . 1 1 18 18 SER CA C 18 58.071 58.071 59.760 -1.689 25122
420 1 5 . 1 1 18 18 SER CB C 18 65.980 65.980 64.425 1.555 25122
421 1 5 . 1 1 18 18 SER H H 18 7.584 7.584 8.120 -0.536 25122
422 1 5 . 1 1 19 19 GLY CA C 19 45.178 45.178 44.829 0.349 25122
423 1 5 . 1 1 19 19 GLY H H 19 8.248 8.248 7.745 0.503 25122
424 1 5 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.288 0.329 25122
425 1 5 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.591 -1.689 25122
426 1 5 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.007 1.971 25122
427 1 5 . 1 1 20 20 LYS H H 20 8.045 8.045 8.219 -0.174 25122
428 1 5 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.303 0.215 25122
429 1 5 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.780 -2.744 25122
430 1 5 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.628 14.951 25122
431 1 5 . 1 1 21 21 CYS H H 21 9.289 9.289 8.841 0.448 25122
432 1 5 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.928 0.346 25122
433 1 5 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.548 -2.316 25122
434 1 5 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.410 2.424 25122
435 1 5 . 1 1 22 22 VAL H H 22 9.531 9.531 8.945 0.586 25122
436 1 5 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.677 -0.294 25122
437 1 5 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.889 0.378 25122
438 1 5 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.239 -0.965 25122
439 1 5 . 1 1 23 23 ASN H H 23 9.697 9.697 8.279 1.418 25122
440 1 5 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.264 0.952 25122
441 1 5 . 1 1 24 24 GLY H H 24 8.451 8.451 8.155 0.296 25122
442 1 5 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.605 0.465 25122
443 1 5 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.193 0.953 25122
444 1 5 . 1 1 25 25 ALA H H 25 8.037 8.037 7.535 0.502 25122
445 1 5 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.458 0.294 25122
446 1 5 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.498 -4.225 25122
447 1 5 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.451 15.044 25122
448 1 5 . 1 1 26 26 CYS H H 26 8.901 8.901 8.913 -0.012 25122
449 1 5 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.798 0.088 25122
450 1 5 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.202 0.347 25122
451 1 5 . 1 1 27 27 ASP H H 27 9.766 9.766 8.185 1.581 25122
452 1 5 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.418 0.344 25122
453 1 5 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.587 -4.753 25122
454 1 5 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.417 14.959 25122
455 1 5 . 1 1 28 28 CYS H H 28 9.651 9.651 8.023 1.628 25122
456 1 6 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.716 -0.219 25122
457 1 6 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.840 0.310 25122
458 1 6 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.498 -0.014 25122
459 1 6 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.097 0.237 25122
460 1 6 . 1 1 3 3 LYS CA C 3 56.331 56.331 55.585 0.746 25122
461 1 6 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.660 0.716 25122
462 1 6 . 1 1 3 3 LYS H H 3 8.726 8.726 8.628 0.098 25122
463 1 6 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.115 1.115 25122
464 1 6 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.382 -4.387 25122
465 1 6 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.165 19.166 25122
466 1 6 . 1 1 4 4 CYS H H 4 8.164 8.164 6.648 1.516 25122
467 1 6 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.934 2.747 25122
468 1 6 . 1 1 5 5 GLY H H 5 9.544 9.544 8.800 0.744 25122
469 1 6 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.713 -0.009 25122
470 1 6 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.394 -1.748 25122
471 1 6 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.883 -0.896 25122
472 1 6 . 1 1 6 6 LEU H H 6 6.355 6.355 7.804 -1.449 25122
473 1 6 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.316 -1.239 25122
474 1 6 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.807 -0.649 25122
475 1 6 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.086 9.662 25122
476 1 6 . 1 1 7 7 CYS H H 7 8.277 8.277 8.061 0.216 25122
477 1 6 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.878 -0.034 25122
478 1 6 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.819 1.685 25122
479 1 6 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.465 -1.625 25122
480 1 6 . 1 1 8 8 ARG H H 8 9.053 9.053 9.211 -0.158 25122
481 1 6 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.284 0.478 25122
482 1 6 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.189 -3.382 25122
483 1 6 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.992 0.005 25122
484 1 6 . 1 1 9 9 TYR H H 9 8.548 8.548 8.213 0.335 25122
485 1 6 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.493 0.326 25122
486 1 6 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.285 -2.001 25122
487 1 6 . 1 1 10 10 ARG H H 10 8.678 8.678 7.770 0.908 25122
488 1 6 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.891 -0.507 25122
489 1 6 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.309 -3.577 25122
490 1 6 . 1 1 11 11 CYS CB C 11 40.017 40.017 27.229 12.788 25122
491 1 6 . 1 1 11 11 CYS H H 11 7.889 7.889 8.664 -0.775 25122
492 1 6 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.552 11.673 25122
493 1 6 . 1 1 12 12 CYS H H 12 9.242 9.242 8.768 0.474 25122
494 1 6 . 1 1 13 13 SER HA H 13 4.084 4.084 4.535 -0.451 25122
495 1 6 . 1 1 13 13 SER CA C 13 59.982 59.982 58.659 1.323 25122
496 1 6 . 1 1 13 13 SER CB C 13 61.752 61.752 63.659 -1.907 25122
497 1 6 . 1 1 13 13 SER H H 13 9.390 9.390 8.108 1.282 25122
498 1 6 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.957 -0.064 25122
499 1 6 . 1 1 14 14 GLY H H 14 8.245 8.245 8.189 0.056 25122
500 1 6 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.429 -1.120 25122
501 1 6 . 1 1 15 15 GLY H H 15 7.870 7.870 7.980 -0.110 25122
502 1 6 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.380 0.485 25122
503 1 6 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.958 18.348 25122
504 1 6 . 1 1 16 16 CYS H H 16 8.751 8.751 8.437 0.314 25122
505 1 6 . 1 1 17 17 SER HA H 17 4.370 4.370 4.387 -0.017 25122
506 1 6 . 1 1 17 17 SER CA C 17 60.383 60.383 60.619 -0.236 25122
507 1 6 . 1 1 17 17 SER CB C 17 63.143 63.143 63.745 -0.602 25122
508 1 6 . 1 1 17 17 SER H H 17 9.676 9.676 8.821 0.855 25122
509 1 6 . 1 1 18 18 SER HA H 18 4.588 4.588 4.582 0.006 25122
510 1 6 . 1 1 18 18 SER CA C 18 58.071 58.071 59.465 -1.394 25122
511 1 6 . 1 1 18 18 SER CB C 18 65.980 65.980 64.216 1.764 25122
512 1 6 . 1 1 18 18 SER H H 18 7.584 7.584 8.126 -0.542 25122
513 1 6 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.143 0.035 25122
514 1 6 . 1 1 19 19 GLY H H 19 8.248 8.248 7.604 0.644 25122
515 1 6 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.379 0.238 25122
516 1 6 . 1 1 20 20 LYS CA C 20 53.902 53.902 56.166 -2.264 25122
517 1 6 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.844 2.134 25122
518 1 6 . 1 1 20 20 LYS H H 20 8.045 8.045 8.073 -0.028 25122
519 1 6 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.278 0.240 25122
520 1 6 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.375 -2.339 25122
521 1 6 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.507 15.072 25122
522 1 6 . 1 1 21 21 CYS H H 21 9.289 9.289 9.052 0.237 25122
523 1 6 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.975 0.299 25122
524 1 6 . 1 1 22 22 VAL CA C 22 62.232 62.232 63.109 -0.877 25122
525 1 6 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.548 2.285 25122
526 1 6 . 1 1 22 22 VAL H H 22 9.531 9.531 9.100 0.431 25122
527 1 6 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.726 -0.343 25122
528 1 6 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.942 0.325 25122
529 1 6 . 1 1 23 23 ASN CB C 23 37.274 37.274 39.048 -1.774 25122
530 1 6 . 1 1 23 23 ASN H H 23 9.697 9.697 8.766 0.931 25122
531 1 6 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.303 0.912 25122
532 1 6 . 1 1 24 24 GLY H H 24 8.451 8.451 8.016 0.435 25122
533 1 6 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.544 0.526 25122
534 1 6 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.605 1.541 25122
535 1 6 . 1 1 25 25 ALA H H 25 8.037 8.037 7.496 0.541 25122
536 1 6 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.547 0.205 25122
537 1 6 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.456 -4.184 25122
538 1 6 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.798 14.698 25122
539 1 6 . 1 1 26 26 CYS H H 26 8.901 8.901 8.755 0.146 25122
540 1 6 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.858 0.028 25122
541 1 6 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.830 -0.280 25122
542 1 6 . 1 1 27 27 ASP H H 27 9.766 9.766 8.196 1.570 25122
543 1 6 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.393 0.369 25122
544 1 6 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.482 -4.648 25122
545 1 6 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.550 14.825 25122
546 1 6 . 1 1 28 28 CYS H H 28 9.651 9.651 8.081 1.570 25122
547 1 7 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.565 -0.068 25122
548 1 7 . 1 1 2 2 PRO CA C 2 63.150 63.150 63.123 0.027 25122
549 1 7 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.275 0.209 25122
550 1 7 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.325 0.009 25122
551 1 7 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.220 0.111 25122
552 1 7 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.999 0.377 25122
553 1 7 . 1 1 3 3 LYS H H 3 8.726 8.726 8.693 0.033 25122
554 1 7 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.334 0.896 25122
555 1 7 . 1 1 4 4 CYS CA C 4 53.995 53.995 59.179 -5.184 25122
556 1 7 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.532 18.799 25122
557 1 7 . 1 1 4 4 CYS H H 4 8.164 8.164 7.836 0.328 25122
558 1 7 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.907 2.774 25122
559 1 7 . 1 1 5 5 GLY H H 5 9.544 9.544 8.819 0.725 25122
560 1 7 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.586 0.118 25122
561 1 7 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.323 -1.677 25122
562 1 7 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.400 -0.413 25122
563 1 7 . 1 1 6 6 LEU H H 6 6.355 6.355 7.734 -1.379 25122
564 1 7 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.225 -1.148 25122
565 1 7 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.065 -0.907 25122
566 1 7 . 1 1 7 7 CYS CB C 7 38.748 38.748 28.819 9.929 25122
567 1 7 . 1 1 7 7 CYS H H 7 8.277 8.277 8.053 0.224 25122
568 1 7 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.891 -0.047 25122
569 1 7 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.765 1.739 25122
570 1 7 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.023 -1.183 25122
571 1 7 . 1 1 8 8 ARG H H 8 9.053 9.053 9.250 -0.197 25122
572 1 7 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.277 0.485 25122
573 1 7 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.607 -3.800 25122
574 1 7 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.734 0.263 25122
575 1 7 . 1 1 9 9 TYR H H 9 8.548 8.548 8.329 0.219 25122
576 1 7 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.613 0.206 25122
577 1 7 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.396 -2.112 25122
578 1 7 . 1 1 10 10 ARG H H 10 8.678 8.678 7.661 1.017 25122
579 1 7 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.735 -0.351 25122
580 1 7 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.707 -3.975 25122
581 1 7 . 1 1 11 11 CYS CB C 11 40.017 40.017 27.252 12.765 25122
582 1 7 . 1 1 11 11 CYS H H 11 7.889 7.889 8.088 -0.199 25122
583 1 7 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.549 11.676 25122
584 1 7 . 1 1 12 12 CYS H H 12 9.242 9.242 8.947 0.295 25122
585 1 7 . 1 1 13 13 SER HA H 13 4.084 4.084 4.575 -0.491 25122
586 1 7 . 1 1 13 13 SER CA C 13 59.982 59.982 58.458 1.524 25122
587 1 7 . 1 1 13 13 SER CB C 13 61.752 61.752 63.728 -1.976 25122
588 1 7 . 1 1 13 13 SER H H 13 9.390 9.390 8.371 1.019 25122
589 1 7 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.809 0.083 25122
590 1 7 . 1 1 14 14 GLY H H 14 8.245 8.245 8.151 0.094 25122
591 1 7 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.214 -0.905 25122
592 1 7 . 1 1 15 15 GLY H H 15 7.870 7.870 7.812 0.058 25122
593 1 7 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.364 0.501 25122
594 1 7 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.473 17.833 25122
595 1 7 . 1 1 16 16 CYS H H 16 8.751 8.751 8.546 0.205 25122
596 1 7 . 1 1 17 17 SER HA H 17 4.370 4.370 4.432 -0.062 25122
597 1 7 . 1 1 17 17 SER CA C 17 60.383 60.383 60.150 0.233 25122
598 1 7 . 1 1 17 17 SER CB C 17 63.143 63.143 63.707 -0.564 25122
599 1 7 . 1 1 17 17 SER H H 17 9.676 9.676 8.645 1.031 25122
600 1 7 . 1 1 18 18 SER HA H 18 4.588 4.588 4.575 0.013 25122
601 1 7 . 1 1 18 18 SER CA C 18 58.071 58.071 60.525 -2.454 25122
602 1 7 . 1 1 18 18 SER CB C 18 65.980 65.980 64.103 1.877 25122
603 1 7 . 1 1 18 18 SER H H 18 7.584 7.584 8.368 -0.784 25122
604 1 7 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.077 0.101 25122
605 1 7 . 1 1 19 19 GLY H H 19 8.248 8.248 7.647 0.601 25122
606 1 7 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.408 0.209 25122
607 1 7 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.786 -1.885 25122
608 1 7 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.111 1.867 25122
609 1 7 . 1 1 20 20 LYS H H 20 8.045 8.045 8.005 0.040 25122
610 1 7 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.327 0.191 25122
611 1 7 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.659 -2.623 25122
612 1 7 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.897 14.682 25122
613 1 7 . 1 1 21 21 CYS H H 21 9.289 9.289 8.960 0.329 25122
614 1 7 . 1 1 22 22 VAL HA H 22 4.274 4.274 4.086 0.188 25122
615 1 7 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.247 -2.015 25122
616 1 7 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.997 1.837 25122
617 1 7 . 1 1 22 22 VAL H H 22 9.531 9.531 9.176 0.355 25122
618 1 7 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.807 -0.424 25122
619 1 7 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.849 0.417 25122
620 1 7 . 1 1 23 23 ASN CB C 23 37.274 37.274 39.265 -1.991 25122
621 1 7 . 1 1 23 23 ASN H H 23 9.697 9.697 8.770 0.927 25122
622 1 7 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.535 0.680 25122
623 1 7 . 1 1 24 24 GLY H H 24 8.451 8.451 7.928 0.523 25122
624 1 7 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.639 0.431 25122
625 1 7 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.732 0.414 25122
626 1 7 . 1 1 25 25 ALA H H 25 8.037 8.037 7.489 0.548 25122
627 1 7 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.531 0.221 25122
628 1 7 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.315 -4.042 25122
629 1 7 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.942 14.554 25122
630 1 7 . 1 1 26 26 CYS H H 26 8.901 8.901 8.849 0.052 25122
631 1 7 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.833 0.053 25122
632 1 7 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.666 -0.117 25122
633 1 7 . 1 1 27 27 ASP H H 27 9.766 9.766 8.058 1.708 25122
634 1 7 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.406 0.356 25122
635 1 7 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.636 -4.801 25122
636 1 7 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.713 14.663 25122
637 1 7 . 1 1 28 28 CYS H H 28 9.651 9.651 8.001 1.650 25122
638 1 8 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.831 -0.334 25122
639 1 8 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.811 0.339 25122
640 1 8 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.764 -0.280 25122
641 1 8 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.152 0.182 25122
642 1 8 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.234 0.097 25122
643 1 8 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.968 0.409 25122
644 1 8 . 1 1 3 3 LYS H H 3 8.726 8.726 8.275 0.451 25122
645 1 8 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.102 1.128 25122
646 1 8 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.694 -4.699 25122
647 1 8 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.467 18.864 25122
648 1 8 . 1 1 4 4 CYS H H 4 8.164 8.164 7.007 1.157 25122
649 1 8 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.176 2.505 25122
650 1 8 . 1 1 5 5 GLY H H 5 9.544 9.544 8.848 0.696 25122
651 1 8 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.354 0.350 25122
652 1 8 . 1 1 6 6 LEU CA C 6 52.646 52.646 55.855 -3.209 25122
653 1 8 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.070 -0.083 25122
654 1 8 . 1 1 6 6 LEU H H 6 6.355 6.355 7.820 -1.465 25122
655 1 8 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.226 -1.149 25122
656 1 8 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.762 -0.604 25122
657 1 8 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.900 8.848 25122
658 1 8 . 1 1 7 7 CYS H H 7 8.277 8.277 7.945 0.332 25122
659 1 8 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.870 -0.026 25122
660 1 8 . 1 1 8 8 ARG CA C 8 59.504 59.504 58.083 1.421 25122
661 1 8 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.201 -1.361 25122
662 1 8 . 1 1 8 8 ARG H H 8 9.053 9.053 9.275 -0.222 25122
663 1 8 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.325 0.437 25122
664 1 8 . 1 1 9 9 TYR CA C 9 56.807 56.807 61.016 -4.209 25122
665 1 8 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.846 0.151 25122
666 1 8 . 1 1 9 9 TYR H H 9 8.548 8.548 8.177 0.371 25122
667 1 8 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.596 0.223 25122
668 1 8 . 1 1 10 10 ARG CB C 10 30.284 30.284 31.720 -1.436 25122
669 1 8 . 1 1 10 10 ARG H H 10 8.678 8.678 7.669 1.009 25122
670 1 8 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.776 -0.392 25122
671 1 8 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.883 -4.151 25122
672 1 8 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.538 13.479 25122
673 1 8 . 1 1 11 11 CYS H H 11 7.889 7.889 8.175 -0.286 25122
674 1 8 . 1 1 12 12 CYS CB C 12 39.225 39.225 28.017 11.208 25122
675 1 8 . 1 1 12 12 CYS H H 12 9.242 9.242 8.900 0.342 25122
676 1 8 . 1 1 13 13 SER HA H 13 4.084 4.084 4.501 -0.417 25122
677 1 8 . 1 1 13 13 SER CA C 13 59.982 59.982 57.620 2.362 25122
678 1 8 . 1 1 13 13 SER CB C 13 61.752 61.752 63.466 -1.714 25122
679 1 8 . 1 1 13 13 SER H H 13 9.390 9.390 8.013 1.377 25122
680 1 8 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.135 -0.242 25122
681 1 8 . 1 1 14 14 GLY H H 14 8.245 8.245 8.046 0.199 25122
682 1 8 . 1 1 15 15 GLY CA C 15 44.309 44.309 44.518 -0.209 25122
683 1 8 . 1 1 15 15 GLY H H 15 7.870 7.870 7.618 0.252 25122
684 1 8 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.569 0.296 25122
685 1 8 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.705 17.601 25122
686 1 8 . 1 1 16 16 CYS H H 16 8.751 8.751 8.621 0.130 25122
687 1 8 . 1 1 17 17 SER HA H 17 4.370 4.370 4.406 -0.036 25122
688 1 8 . 1 1 17 17 SER CA C 17 60.383 60.383 59.544 0.839 25122
689 1 8 . 1 1 17 17 SER CB C 17 63.143 63.143 63.419 -0.276 25122
690 1 8 . 1 1 17 17 SER H H 17 9.676 9.676 8.699 0.977 25122
691 1 8 . 1 1 18 18 SER HA H 18 4.588 4.588 4.518 0.070 25122
692 1 8 . 1 1 18 18 SER CA C 18 58.071 58.071 59.931 -1.860 25122
693 1 8 . 1 1 18 18 SER CB C 18 65.980 65.980 63.747 2.233 25122
694 1 8 . 1 1 18 18 SER H H 18 7.584 7.584 7.848 -0.264 25122
695 1 8 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.020 0.158 25122
696 1 8 . 1 1 19 19 GLY H H 19 8.248 8.248 7.636 0.612 25122
697 1 8 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.351 0.266 25122
698 1 8 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.489 -1.587 25122
699 1 8 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.015 1.963 25122
700 1 8 . 1 1 20 20 LYS H H 20 8.045 8.045 7.914 0.131 25122
701 1 8 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.324 0.194 25122
702 1 8 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.486 -2.450 25122
703 1 8 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.393 14.186 25122
704 1 8 . 1 1 21 21 CYS H H 21 9.289 9.289 9.124 0.165 25122
705 1 8 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.921 0.353 25122
706 1 8 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.435 -2.203 25122
707 1 8 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.267 2.567 25122
708 1 8 . 1 1 22 22 VAL H H 22 9.531 9.531 9.107 0.424 25122
709 1 8 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.683 -0.300 25122
710 1 8 . 1 1 23 23 ASN CA C 23 54.267 54.267 54.421 -0.154 25122
711 1 8 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.349 -1.075 25122
712 1 8 . 1 1 23 23 ASN H H 23 9.697 9.697 7.932 1.765 25122
713 1 8 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.408 0.807 25122
714 1 8 . 1 1 24 24 GLY H H 24 8.451 8.451 8.169 0.282 25122
715 1 8 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.617 0.453 25122
716 1 8 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.202 0.944 25122
717 1 8 . 1 1 25 25 ALA H H 25 8.037 8.037 7.525 0.512 25122
718 1 8 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.477 0.275 25122
719 1 8 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.769 -4.496 25122
720 1 8 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.975 14.521 25122
721 1 8 . 1 1 26 26 CYS H H 26 8.901 8.901 8.951 -0.050 25122
722 1 8 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.882 0.004 25122
723 1 8 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.693 -0.144 25122
724 1 8 . 1 1 27 27 ASP H H 27 9.766 9.766 8.083 1.683 25122
725 1 8 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.332 0.430 25122
726 1 8 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.999 -5.165 25122
727 1 8 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.630 14.746 25122
728 1 8 . 1 1 28 28 CYS H H 28 9.651 9.651 8.195 1.456 25122
729 1 9 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.697 -0.200 25122
730 1 9 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.863 0.287 25122
731 1 9 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.506 -0.022 25122
732 1 9 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.129 0.205 25122
733 1 9 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.540 -0.209 25122
734 1 9 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.925 0.452 25122
735 1 9 . 1 1 3 3 LYS H H 3 8.726 8.726 8.990 -0.264 25122
736 1 9 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.238 0.992 25122
737 1 9 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.464 -4.469 25122
738 1 9 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.380 18.951 25122
739 1 9 . 1 1 4 4 CYS H H 4 8.164 8.164 7.745 0.419 25122
740 1 9 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.972 2.708 25122
741 1 9 . 1 1 5 5 GLY H H 5 9.544 9.544 8.544 1.000 25122
742 1 9 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.670 0.034 25122
743 1 9 . 1 1 6 6 LEU CA C 6 52.646 52.646 53.982 -1.336 25122
744 1 9 . 1 1 6 6 LEU CB C 6 42.987 42.987 44.099 -1.111 25122
745 1 9 . 1 1 6 6 LEU H H 6 6.355 6.355 7.677 -1.322 25122
746 1 9 . 1 1 7 7 CYS HA H 7 4.077 4.077 4.908 -0.831 25122
747 1 9 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.445 -1.287 25122
748 1 9 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.023 9.725 25122
749 1 9 . 1 1 7 7 CYS H H 7 8.277 8.277 8.078 0.199 25122
750 1 9 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.858 -0.014 25122
751 1 9 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.937 1.567 25122
752 1 9 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.508 -1.668 25122
753 1 9 . 1 1 8 8 ARG H H 8 9.053 9.053 9.135 -0.082 25122
754 1 9 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.339 0.423 25122
755 1 9 . 1 1 9 9 TYR CA C 9 56.807 56.807 59.986 -3.179 25122
756 1 9 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.018 -0.021 25122
757 1 9 . 1 1 9 9 TYR H H 9 8.548 8.548 8.265 0.283 25122
758 1 9 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.719 0.100 25122
759 1 9 . 1 1 10 10 ARG CB C 10 30.284 30.284 34.539 -4.255 25122
760 1 9 . 1 1 10 10 ARG H H 10 8.678 8.678 7.685 0.993 25122
761 1 9 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.821 -0.437 25122
762 1 9 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.819 -4.087 25122
763 1 9 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.649 13.368 25122
764 1 9 . 1 1 11 11 CYS H H 11 7.889 7.889 8.215 -0.326 25122
765 1 9 . 1 1 12 12 CYS CB C 12 39.225 39.225 28.105 11.120 25122
766 1 9 . 1 1 12 12 CYS H H 12 9.242 9.242 8.687 0.555 25122
767 1 9 . 1 1 13 13 SER HA H 13 4.084 4.084 4.514 -0.430 25122
768 1 9 . 1 1 13 13 SER CA C 13 59.982 59.982 58.274 1.708 25122
769 1 9 . 1 1 13 13 SER CB C 13 61.752 61.752 63.544 -1.792 25122
770 1 9 . 1 1 13 13 SER H H 13 9.390 9.390 8.432 0.958 25122
771 1 9 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.179 -0.286 25122
772 1 9 . 1 1 14 14 GLY H H 14 8.245 8.245 7.903 0.342 25122
773 1 9 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.047 -0.738 25122
774 1 9 . 1 1 15 15 GLY H H 15 7.870 7.870 7.901 -0.031 25122
775 1 9 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.393 0.472 25122
776 1 9 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.183 18.123 25122
777 1 9 . 1 1 16 16 CYS H H 16 8.751 8.751 8.583 0.168 25122
778 1 9 . 1 1 17 17 SER HA H 17 4.370 4.370 4.321 0.049 25122
779 1 9 . 1 1 17 17 SER CA C 17 60.383 60.383 60.497 -0.114 25122
780 1 9 . 1 1 17 17 SER CB C 17 63.143 63.143 63.358 -0.215 25122
781 1 9 . 1 1 17 17 SER H H 17 9.676 9.676 8.935 0.741 25122
782 1 9 . 1 1 18 18 SER HA H 18 4.588 4.588 4.613 -0.025 25122
783 1 9 . 1 1 18 18 SER CA C 18 58.071 58.071 58.902 -0.831 25122
784 1 9 . 1 1 18 18 SER CB C 18 65.980 65.980 63.884 2.096 25122
785 1 9 . 1 1 18 18 SER H H 18 7.584 7.584 8.151 -0.567 25122
786 1 9 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.092 0.087 25122
787 1 9 . 1 1 19 19 GLY H H 19 8.248 8.248 7.641 0.607 25122
788 1 9 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.369 0.248 25122
789 1 9 . 1 1 20 20 LYS CA C 20 53.902 53.902 56.163 -2.261 25122
790 1 9 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.880 2.098 25122
791 1 9 . 1 1 20 20 LYS H H 20 8.045 8.045 8.122 -0.077 25122
792 1 9 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.308 0.210 25122
793 1 9 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.645 -2.609 25122
794 1 9 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.793 14.786 25122
795 1 9 . 1 1 21 21 CYS H H 21 9.289 9.289 8.900 0.389 25122
796 1 9 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.981 0.293 25122
797 1 9 . 1 1 22 22 VAL CA C 22 62.232 62.232 63.765 -1.533 25122
798 1 9 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.018 2.816 25122
799 1 9 . 1 1 22 22 VAL H H 22 9.531 9.531 9.037 0.494 25122
800 1 9 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.612 -0.229 25122
801 1 9 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.820 0.447 25122
802 1 9 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.011 -0.737 25122
803 1 9 . 1 1 23 23 ASN H H 23 9.697 9.697 7.536 2.161 25122
804 1 9 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.278 0.937 25122
805 1 9 . 1 1 24 24 GLY H H 24 8.451 8.451 8.235 0.216 25122
806 1 9 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.542 0.528 25122
807 1 9 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.055 1.091 25122
808 1 9 . 1 1 25 25 ALA H H 25 8.037 8.037 7.499 0.538 25122
809 1 9 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.466 0.286 25122
810 1 9 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.573 -4.300 25122
811 1 9 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.926 14.570 25122
812 1 9 . 1 1 26 26 CYS H H 26 8.901 8.901 8.827 0.074 25122
813 1 9 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.754 0.132 25122
814 1 9 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.130 0.419 25122
815 1 9 . 1 1 27 27 ASP H H 27 9.766 9.766 8.048 1.718 25122
816 1 9 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.543 0.219 25122
817 1 9 . 1 1 28 28 CYS CA C 28 53.834 53.834 57.836 -4.002 25122
818 1 9 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.681 14.694 25122
819 1 9 . 1 1 28 28 CYS H H 28 9.651 9.651 8.204 1.447 25122
820 1 10 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.902 -0.405 25122
821 1 10 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.663 0.487 25122
822 1 10 . 1 1 2 2 PRO CB C 2 32.484 32.484 33.284 -0.800 25122
823 1 10 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.145 0.189 25122
824 1 10 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.118 0.213 25122
825 1 10 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.870 0.506 25122
826 1 10 . 1 1 3 3 LYS H H 3 8.726 8.726 8.686 0.040 25122
827 1 10 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.184 1.046 25122
828 1 10 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.233 -4.238 25122
829 1 10 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.169 19.162 25122
830 1 10 . 1 1 4 4 CYS H H 4 8.164 8.164 7.262 0.902 25122
831 1 10 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.073 2.608 25122
832 1 10 . 1 1 5 5 GLY H H 5 9.544 9.544 8.717 0.827 25122
833 1 10 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.605 0.099 25122
834 1 10 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.503 -1.857 25122
835 1 10 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.498 -0.511 25122
836 1 10 . 1 1 6 6 LEU H H 6 6.355 6.355 7.753 -1.398 25122
837 1 10 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.157 -1.080 25122
838 1 10 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.160 -1.002 25122
839 1 10 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.640 9.108 25122
840 1 10 . 1 1 7 7 CYS H H 7 8.277 8.277 8.046 0.231 25122
841 1 10 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.947 -0.103 25122
842 1 10 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.558 1.946 25122
843 1 10 . 1 1 8 8 ARG CB C 8 27.840 27.840 28.442 -0.602 25122
844 1 10 . 1 1 8 8 ARG H H 8 9.053 9.053 9.192 -0.139 25122
845 1 10 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.322 0.440 25122
846 1 10 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.252 -3.445 25122
847 1 10 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.000 -0.003 25122
848 1 10 . 1 1 9 9 TYR H H 9 8.548 8.548 8.309 0.239 25122
849 1 10 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.519 0.300 25122
850 1 10 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.423 -2.139 25122
851 1 10 . 1 1 10 10 ARG H H 10 8.678 8.678 7.800 0.878 25122
852 1 10 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.845 -0.461 25122
853 1 10 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.398 -3.666 25122
854 1 10 . 1 1 11 11 CYS CB C 11 40.017 40.017 27.021 12.996 25122
855 1 10 . 1 1 11 11 CYS H H 11 7.889 7.889 8.637 -0.748 25122
856 1 10 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.302 11.923 25122
857 1 10 . 1 1 12 12 CYS H H 12 9.242 9.242 8.800 0.442 25122
858 1 10 . 1 1 13 13 SER HA H 13 4.084 4.084 4.712 -0.628 25122
859 1 10 . 1 1 13 13 SER CA C 13 59.982 59.982 58.603 1.379 25122
860 1 10 . 1 1 13 13 SER CB C 13 61.752 61.752 63.919 -2.167 25122
861 1 10 . 1 1 13 13 SER H H 13 9.390 9.390 8.234 1.156 25122
862 1 10 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.860 0.033 25122
863 1 10 . 1 1 14 14 GLY H H 14 8.245 8.245 8.217 0.028 25122
864 1 10 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.695 -1.386 25122
865 1 10 . 1 1 15 15 GLY H H 15 7.870 7.870 7.873 -0.003 25122
866 1 10 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.331 0.534 25122
867 1 10 . 1 1 16 16 CYS CB C 16 46.306 46.306 27.804 18.502 25122
868 1 10 . 1 1 16 16 CYS H H 16 8.751 8.751 8.512 0.239 25122
869 1 10 . 1 1 17 17 SER HA H 17 4.370 4.370 4.350 0.020 25122
870 1 10 . 1 1 17 17 SER CA C 17 60.383 60.383 59.898 0.485 25122
871 1 10 . 1 1 17 17 SER CB C 17 63.143 63.143 63.544 -0.401 25122
872 1 10 . 1 1 17 17 SER H H 17 9.676 9.676 8.875 0.801 25122
873 1 10 . 1 1 18 18 SER HA H 18 4.588 4.588 4.502 0.086 25122
874 1 10 . 1 1 18 18 SER CA C 18 58.071 58.071 59.851 -1.780 25122
875 1 10 . 1 1 18 18 SER CB C 18 65.980 65.980 63.778 2.202 25122
876 1 10 . 1 1 18 18 SER H H 18 7.584 7.584 8.105 -0.521 25122
877 1 10 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.075 0.103 25122
878 1 10 . 1 1 19 19 GLY H H 19 8.248 8.248 7.769 0.479 25122
879 1 10 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.355 0.262 25122
880 1 10 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.265 -1.363 25122
881 1 10 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.544 2.434 25122
882 1 10 . 1 1 20 20 LYS H H 20 8.045 8.045 7.825 0.220 25122
883 1 10 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.340 0.178 25122
884 1 10 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.573 -2.537 25122
885 1 10 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.417 14.162 25122
886 1 10 . 1 1 21 21 CYS H H 21 9.289 9.289 9.116 0.173 25122
887 1 10 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.920 0.354 25122
888 1 10 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.495 -2.263 25122
889 1 10 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.396 2.438 25122
890 1 10 . 1 1 22 22 VAL H H 22 9.531 9.531 9.101 0.430 25122
891 1 10 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.687 -0.304 25122
892 1 10 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.735 0.532 25122
893 1 10 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.814 -1.540 25122
894 1 10 . 1 1 23 23 ASN H H 23 9.697 9.697 7.997 1.700 25122
895 1 10 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.204 1.011 25122
896 1 10 . 1 1 24 24 GLY H H 24 8.451 8.451 7.955 0.496 25122
897 1 10 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.511 0.559 25122
898 1 10 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.521 1.625 25122
899 1 10 . 1 1 25 25 ALA H H 25 8.037 8.037 7.519 0.518 25122
900 1 10 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.480 0.272 25122
901 1 10 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.486 -4.213 25122
902 1 10 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.701 14.795 25122
903 1 10 . 1 1 26 26 CYS H H 26 8.901 8.901 8.645 0.256 25122
904 1 10 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.788 0.098 25122
905 1 10 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.758 -0.209 25122
906 1 10 . 1 1 27 27 ASP H H 27 9.766 9.766 8.257 1.509 25122
907 1 10 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.459 0.303 25122
908 1 10 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.179 -4.345 25122
909 1 10 . 1 1 28 28 CYS CB C 28 41.376 41.376 27.138 14.238 25122
910 1 10 . 1 1 28 28 CYS H H 28 9.651 9.651 8.172 1.479 25122
911 1 11 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.771 -0.274 25122
912 1 11 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.492 0.658 25122
913 1 11 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.799 -0.315 25122
914 1 11 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.040 0.294 25122
915 1 11 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.456 -0.124 25122
916 1 11 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.534 0.842 25122
917 1 11 . 1 1 3 3 LYS H H 3 8.726 8.726 8.121 0.605 25122
918 1 11 . 1 1 4 4 CYS HA H 4 5.230 5.230 3.685 1.545 25122
919 1 11 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.840 -4.845 25122
920 1 11 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.362 18.969 25122
921 1 11 . 1 1 4 4 CYS H H 4 8.164 8.164 6.188 1.976 25122
922 1 11 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.006 2.675 25122
923 1 11 . 1 1 5 5 GLY H H 5 9.544 9.544 8.693 0.851 25122
924 1 11 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.668 0.036 25122
925 1 11 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.853 -2.207 25122
926 1 11 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.672 -0.685 25122
927 1 11 . 1 1 6 6 LEU H H 6 6.355 6.355 7.872 -1.517 25122
928 1 11 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.187 -1.110 25122
929 1 11 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.928 -0.770 25122
930 1 11 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.235 9.514 25122
931 1 11 . 1 1 7 7 CYS H H 7 8.277 8.277 8.009 0.268 25122
932 1 11 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.861 -0.017 25122
933 1 11 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.801 1.703 25122
934 1 11 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.426 -1.586 25122
935 1 11 . 1 1 8 8 ARG H H 8 9.053 9.053 9.187 -0.134 25122
936 1 11 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.315 0.447 25122
937 1 11 . 1 1 9 9 TYR CA C 9 56.807 56.807 59.833 -3.026 25122
938 1 11 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.657 0.340 25122
939 1 11 . 1 1 9 9 TYR H H 9 8.548 8.548 8.347 0.201 25122
940 1 11 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.613 0.206 25122
941 1 11 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.077 -1.793 25122
942 1 11 . 1 1 10 10 ARG H H 10 8.678 8.678 7.695 0.983 25122
943 1 11 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.736 -0.352 25122
944 1 11 . 1 1 11 11 CYS CA C 11 55.732 55.732 60.443 -4.711 25122
945 1 11 . 1 1 11 11 CYS CB C 11 40.017 40.017 25.781 14.236 25122
946 1 11 . 1 1 11 11 CYS H H 11 7.889 7.889 8.568 -0.679 25122
947 1 11 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.463 11.761 25122
948 1 11 . 1 1 12 12 CYS H H 12 9.242 9.242 8.982 0.260 25122
949 1 11 . 1 1 13 13 SER HA H 13 4.084 4.084 4.512 -0.428 25122
950 1 11 . 1 1 13 13 SER CA C 13 59.982 59.982 58.396 1.586 25122
951 1 11 . 1 1 13 13 SER CB C 13 61.752 61.752 63.688 -1.936 25122
952 1 11 . 1 1 13 13 SER H H 13 9.390 9.390 8.323 1.067 25122
953 1 11 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.848 0.045 25122
954 1 11 . 1 1 14 14 GLY H H 14 8.245 8.245 8.122 0.123 25122
955 1 11 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.461 -1.152 25122
956 1 11 . 1 1 15 15 GLY H H 15 7.870 7.870 7.946 -0.076 25122
957 1 11 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.472 0.393 25122
958 1 11 . 1 1 16 16 CYS CB C 16 46.306 46.306 29.185 17.121 25122
959 1 11 . 1 1 16 16 CYS H H 16 8.751 8.751 8.712 0.039 25122
960 1 11 . 1 1 17 17 SER HA H 17 4.370 4.370 4.457 -0.087 25122
961 1 11 . 1 1 17 17 SER CA C 17 60.383 60.383 59.987 0.396 25122
962 1 11 . 1 1 17 17 SER CB C 17 63.143 63.143 63.749 -0.606 25122
963 1 11 . 1 1 17 17 SER H H 17 9.676 9.676 8.706 0.970 25122
964 1 11 . 1 1 18 18 SER HA H 18 4.588 4.588 4.557 0.031 25122
965 1 11 . 1 1 18 18 SER CA C 18 58.071 58.071 59.933 -1.862 25122
966 1 11 . 1 1 18 18 SER CB C 18 65.980 65.980 63.817 2.163 25122
967 1 11 . 1 1 18 18 SER H H 18 7.584 7.584 8.383 -0.799 25122
968 1 11 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.246 -0.068 25122
969 1 11 . 1 1 19 19 GLY H H 19 8.248 8.248 7.770 0.478 25122
970 1 11 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.347 0.270 25122
971 1 11 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.369 -1.467 25122
972 1 11 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.460 2.518 25122
973 1 11 . 1 1 20 20 LYS H H 20 8.045 8.045 7.876 0.169 25122
974 1 11 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.326 0.192 25122
975 1 11 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.728 -2.692 25122
976 1 11 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.412 14.167 25122
977 1 11 . 1 1 21 21 CYS H H 21 9.289 9.289 8.956 0.333 25122
978 1 11 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.921 0.353 25122
979 1 11 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.390 -2.158 25122
980 1 11 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.489 2.345 25122
981 1 11 . 1 1 22 22 VAL H H 22 9.531 9.531 9.137 0.394 25122
982 1 11 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.694 -0.311 25122
983 1 11 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.979 0.288 25122
984 1 11 . 1 1 23 23 ASN CB C 23 37.274 37.274 39.018 -1.744 25122
985 1 11 . 1 1 23 23 ASN H H 23 9.697 9.697 7.981 1.716 25122
986 1 11 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.659 0.556 25122
987 1 11 . 1 1 24 24 GLY H H 24 8.451 8.451 7.985 0.466 25122
988 1 11 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.580 0.490 25122
989 1 11 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.068 1.078 25122
990 1 11 . 1 1 25 25 ALA H H 25 8.037 8.037 7.438 0.599 25122
991 1 11 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.483 0.269 25122
992 1 11 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.564 -4.291 25122
993 1 11 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.864 14.632 25122
994 1 11 . 1 1 26 26 CYS H H 26 8.901 8.901 8.807 0.094 25122
995 1 11 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.885 0.001 25122
996 1 11 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.379 0.170 25122
997 1 11 . 1 1 27 27 ASP H H 27 9.766 9.766 8.185 1.581 25122
998 1 11 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.342 0.420 25122
999 1 11 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.797 -4.963 25122
1000 1 11 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.747 14.629 25122
1001 1 11 . 1 1 28 28 CYS H H 28 9.651 9.651 8.080 1.571 25122
1002 1 12 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.771 -0.274 25122
1003 1 12 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.840 0.310 25122
1004 1 12 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.533 -0.049 25122
1005 1 12 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.186 0.148 25122
1006 1 12 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.612 -0.281 25122
1007 1 12 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.365 1.011 25122
1008 1 12 . 1 1 3 3 LYS H H 3 8.726 8.726 8.626 0.100 25122
1009 1 12 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.240 0.990 25122
1010 1 12 . 1 1 4 4 CYS CA C 4 53.995 53.995 59.052 -5.057 25122
1011 1 12 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.300 19.031 25122
1012 1 12 . 1 1 4 4 CYS H H 4 8.164 8.164 7.465 0.699 25122
1013 1 12 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.959 2.722 25122
1014 1 12 . 1 1 5 5 GLY H H 5 9.544 9.544 8.811 0.733 25122
1015 1 12 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.654 0.050 25122
1016 1 12 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.509 -1.863 25122
1017 1 12 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.652 -0.665 25122
1018 1 12 . 1 1 6 6 LEU H H 6 6.355 6.355 7.736 -1.381 25122
1019 1 12 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.341 -1.264 25122
1020 1 12 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.909 -0.751 25122
1021 1 12 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.413 9.335 25122
1022 1 12 . 1 1 7 7 CYS H H 7 8.277 8.277 8.097 0.180 25122
1023 1 12 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.857 -0.013 25122
1024 1 12 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.730 1.774 25122
1025 1 12 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.602 -1.762 25122
1026 1 12 . 1 1 8 8 ARG H H 8 9.053 9.053 9.095 -0.042 25122
1027 1 12 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.311 0.451 25122
1028 1 12 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.292 -3.486 25122
1029 1 12 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.231 -0.234 25122
1030 1 12 . 1 1 9 9 TYR H H 9 8.548 8.548 8.250 0.298 25122
1031 1 12 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.581 0.238 25122
1032 1 12 . 1 1 10 10 ARG CB C 10 30.284 30.284 31.925 -1.641 25122
1033 1 12 . 1 1 10 10 ARG H H 10 8.678 8.678 7.673 1.005 25122
1034 1 12 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.617 -0.233 25122
1035 1 12 . 1 1 11 11 CYS CA C 11 55.732 55.732 60.514 -4.782 25122
1036 1 12 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.143 13.874 25122
1037 1 12 . 1 1 11 11 CYS H H 11 7.889 7.889 8.535 -0.646 25122
1038 1 12 . 1 1 12 12 CYS CB C 12 39.225 39.225 28.134 11.091 25122
1039 1 12 . 1 1 12 12 CYS H H 12 9.242 9.242 8.661 0.581 25122
1040 1 12 . 1 1 13 13 SER HA H 13 4.084 4.084 4.510 -0.426 25122
1041 1 12 . 1 1 13 13 SER CA C 13 59.982 59.982 58.305 1.677 25122
1042 1 12 . 1 1 13 13 SER CB C 13 61.752 61.752 63.083 -1.331 25122
1043 1 12 . 1 1 13 13 SER H H 13 9.390 9.390 8.513 0.877 25122
1044 1 12 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.715 0.178 25122
1045 1 12 . 1 1 14 14 GLY H H 14 8.245 8.245 8.011 0.234 25122
1046 1 12 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.264 -0.955 25122
1047 1 12 . 1 1 15 15 GLY H H 15 7.870 7.870 7.940 -0.070 25122
1048 1 12 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.406 0.459 25122
1049 1 12 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.186 18.120 25122
1050 1 12 . 1 1 16 16 CYS H H 16 8.751 8.751 8.546 0.204 25122
1051 1 12 . 1 1 17 17 SER HA H 17 4.370 4.370 4.411 -0.041 25122
1052 1 12 . 1 1 17 17 SER CA C 17 60.383 60.383 60.880 -0.497 25122
1053 1 12 . 1 1 17 17 SER CB C 17 63.143 63.143 63.700 -0.557 25122
1054 1 12 . 1 1 17 17 SER H H 17 9.676 9.676 8.782 0.894 25122
1055 1 12 . 1 1 18 18 SER HA H 18 4.588 4.588 4.559 0.029 25122
1056 1 12 . 1 1 18 18 SER CA C 18 58.071 58.071 59.413 -1.342 25122
1057 1 12 . 1 1 18 18 SER CB C 18 65.980 65.980 63.897 2.083 25122
1058 1 12 . 1 1 18 18 SER H H 18 7.584 7.584 7.977 -0.393 25122
1059 1 12 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.042 0.136 25122
1060 1 12 . 1 1 19 19 GLY H H 19 8.248 8.248 7.681 0.567 25122
1061 1 12 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.339 0.278 25122
1062 1 12 . 1 1 20 20 LYS CA C 20 53.902 53.902 56.263 -2.361 25122
1063 1 12 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.465 2.513 25122
1064 1 12 . 1 1 20 20 LYS H H 20 8.045 8.045 7.994 0.051 25122
1065 1 12 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.339 0.179 25122
1066 1 12 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.634 -2.598 25122
1067 1 12 . 1 1 21 21 CYS CB C 21 40.579 40.579 25.807 14.772 25122
1068 1 12 . 1 1 21 21 CYS H H 21 9.289 9.289 8.897 0.392 25122
1069 1 12 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.877 0.397 25122
1070 1 12 . 1 1 22 22 VAL CA C 22 62.232 62.232 63.697 -1.465 25122
1071 1 12 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.193 2.641 25122
1072 1 12 . 1 1 22 22 VAL H H 22 9.531 9.531 8.999 0.532 25122
1073 1 12 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.633 -0.250 25122
1074 1 12 . 1 1 23 23 ASN CA C 23 54.267 54.267 54.841 -0.574 25122
1075 1 12 . 1 1 23 23 ASN CB C 23 37.274 37.274 37.250 0.024 25122
1076 1 12 . 1 1 23 23 ASN H H 23 9.697 9.697 7.665 2.032 25122
1077 1 12 . 1 1 24 24 GLY CA C 24 46.215 46.215 44.836 1.379 25122
1078 1 12 . 1 1 24 24 GLY H H 24 8.451 8.451 8.284 0.167 25122
1079 1 12 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.457 0.614 25122
1080 1 12 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.718 1.428 25122
1081 1 12 . 1 1 25 25 ALA H H 25 8.037 8.037 7.317 0.720 25122
1082 1 12 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.465 0.287 25122
1083 1 12 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.552 -4.279 25122
1084 1 12 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.729 14.767 25122
1085 1 12 . 1 1 26 26 CYS H H 26 8.901 8.901 8.717 0.184 25122
1086 1 12 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.836 0.050 25122
1087 1 12 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.290 0.259 25122
1088 1 12 . 1 1 27 27 ASP H H 27 9.766 9.766 8.072 1.694 25122
1089 1 12 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.368 0.394 25122
1090 1 12 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.917 -5.083 25122
1091 1 12 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.739 14.637 25122
1092 1 12 . 1 1 28 28 CYS H H 28 9.651 9.651 8.042 1.609 25122
1093 1 13 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.750 -0.253 25122
1094 1 13 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.779 0.371 25122
1095 1 13 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.429 0.055 25122
1096 1 13 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.235 0.099 25122
1097 1 13 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.640 -0.309 25122
1098 1 13 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.687 0.689 25122
1099 1 13 . 1 1 3 3 LYS H H 3 8.726 8.726 8.815 -0.089 25122
1100 1 13 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.319 0.911 25122
1101 1 13 . 1 1 4 4 CYS CA C 4 53.995 53.995 59.155 -5.160 25122
1102 1 13 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.694 18.637 25122
1103 1 13 . 1 1 4 4 CYS H H 4 8.164 8.164 7.879 0.285 25122
1104 1 13 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.912 2.769 25122
1105 1 13 . 1 1 5 5 GLY H H 5 9.544 9.544 8.804 0.740 25122
1106 1 13 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.628 0.076 25122
1107 1 13 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.318 -1.671 25122
1108 1 13 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.607 -0.620 25122
1109 1 13 . 1 1 6 6 LEU H H 6 6.355 6.355 7.768 -1.413 25122
1110 1 13 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.222 -1.145 25122
1111 1 13 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.072 -0.914 25122
1112 1 13 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.278 9.470 25122
1113 1 13 . 1 1 7 7 CYS H H 7 8.277 8.277 8.009 0.268 25122
1114 1 13 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.852 -0.008 25122
1115 1 13 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.271 2.233 25122
1116 1 13 . 1 1 8 8 ARG CB C 8 27.840 27.840 28.913 -1.073 25122
1117 1 13 . 1 1 8 8 ARG H H 8 9.053 9.053 9.163 -0.110 25122
1118 1 13 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.357 0.405 25122
1119 1 13 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.327 -3.520 25122
1120 1 13 . 1 1 9 9 TYR CB C 9 39.997 39.997 40.168 -0.171 25122
1121 1 13 . 1 1 9 9 TYR H H 9 8.548 8.548 8.141 0.407 25122
1122 1 13 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.607 0.212 25122
1123 1 13 . 1 1 10 10 ARG CB C 10 30.284 30.284 31.727 -1.443 25122
1124 1 13 . 1 1 10 10 ARG H H 10 8.678 8.678 7.669 1.009 25122
1125 1 13 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.578 -0.194 25122
1126 1 13 . 1 1 11 11 CYS CA C 11 55.732 55.732 60.483 -4.751 25122
1127 1 13 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.173 13.844 25122
1128 1 13 . 1 1 11 11 CYS H H 11 7.889 7.889 8.312 -0.423 25122
1129 1 13 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.737 11.488 25122
1130 1 13 . 1 1 12 12 CYS H H 12 9.242 9.242 9.023 0.219 25122
1131 1 13 . 1 1 13 13 SER HA H 13 4.084 4.084 4.588 -0.504 25122
1132 1 13 . 1 1 13 13 SER CA C 13 59.982 59.982 57.876 2.106 25122
1133 1 13 . 1 1 13 13 SER CB C 13 61.752 61.752 63.185 -1.433 25122
1134 1 13 . 1 1 13 13 SER H H 13 9.390 9.390 8.457 0.933 25122
1135 1 13 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.065 -0.172 25122
1136 1 13 . 1 1 14 14 GLY H H 14 8.245 8.245 7.972 0.273 25122
1137 1 13 . 1 1 15 15 GLY CA C 15 44.309 44.309 44.812 -0.503 25122
1138 1 13 . 1 1 15 15 GLY H H 15 7.870 7.870 7.890 -0.020 25122
1139 1 13 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.644 0.222 25122
1140 1 13 . 1 1 16 16 CYS CB C 16 46.306 46.306 29.725 16.581 25122
1141 1 13 . 1 1 16 16 CYS H H 16 8.751 8.751 8.660 0.091 25122
1142 1 13 . 1 1 17 17 SER HA H 17 4.370 4.370 4.368 0.002 25122
1143 1 13 . 1 1 17 17 SER CA C 17 60.383 60.383 60.164 0.219 25122
1144 1 13 . 1 1 17 17 SER CB C 17 63.143 63.143 63.557 -0.414 25122
1145 1 13 . 1 1 17 17 SER H H 17 9.676 9.676 9.006 0.670 25122
1146 1 13 . 1 1 18 18 SER HA H 18 4.588 4.588 4.486 0.102 25122
1147 1 13 . 1 1 18 18 SER CA C 18 58.071 58.071 60.082 -2.011 25122
1148 1 13 . 1 1 18 18 SER CB C 18 65.980 65.980 63.728 2.252 25122
1149 1 13 . 1 1 18 18 SER H H 18 7.584 7.584 8.093 -0.509 25122
1150 1 13 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.028 0.150 25122
1151 1 13 . 1 1 19 19 GLY H H 19 8.248 8.248 7.647 0.601 25122
1152 1 13 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.369 0.248 25122
1153 1 13 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.374 -1.472 25122
1154 1 13 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.191 1.788 25122
1155 1 13 . 1 1 20 20 LYS H H 20 8.045 8.045 8.030 0.015 25122
1156 1 13 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.360 0.158 25122
1157 1 13 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.347 -2.311 25122
1158 1 13 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.154 14.425 25122
1159 1 13 . 1 1 21 21 CYS H H 21 9.289 9.289 9.140 0.149 25122
1160 1 13 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.948 0.326 25122
1161 1 13 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.544 -2.312 25122
1162 1 13 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.609 2.225 25122
1163 1 13 . 1 1 22 22 VAL H H 22 9.531 9.531 9.151 0.380 25122
1164 1 13 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.668 -0.285 25122
1165 1 13 . 1 1 23 23 ASN CA C 23 54.267 54.267 54.727 -0.460 25122
1166 1 13 . 1 1 23 23 ASN CB C 23 37.274 37.274 37.883 -0.609 25122
1167 1 13 . 1 1 23 23 ASN H H 23 9.697 9.697 7.996 1.701 25122
1168 1 13 . 1 1 24 24 GLY CA C 24 46.215 46.215 44.442 1.773 25122
1169 1 13 . 1 1 24 24 GLY H H 24 8.451 8.451 8.386 0.065 25122
1170 1 13 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.604 0.466 25122
1171 1 13 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.214 0.932 25122
1172 1 13 . 1 1 25 25 ALA H H 25 8.037 8.037 7.535 0.502 25122
1173 1 13 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.463 0.289 25122
1174 1 13 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.686 -4.413 25122
1175 1 13 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.808 14.688 25122
1176 1 13 . 1 1 26 26 CYS H H 26 8.901 8.901 8.890 0.011 25122
1177 1 13 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.855 0.031 25122
1178 1 13 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.484 0.065 25122
1179 1 13 . 1 1 27 27 ASP H H 27 9.766 9.766 8.258 1.508 25122
1180 1 13 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.371 0.391 25122
1181 1 13 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.514 -4.680 25122
1182 1 13 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.160 15.216 25122
1183 1 13 . 1 1 28 28 CYS H H 28 9.651 9.651 8.139 1.512 25122
1184 1 14 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.904 -0.407 25122
1185 1 14 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.590 0.560 25122
1186 1 14 . 1 1 2 2 PRO CB C 2 32.484 32.484 33.471 -0.987 25122
1187 1 14 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.252 0.082 25122
1188 1 14 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.355 -0.024 25122
1189 1 14 . 1 1 3 3 LYS CB C 3 33.376 33.376 33.176 0.200 25122
1190 1 14 . 1 1 3 3 LYS H H 3 8.726 8.726 8.678 0.048 25122
1191 1 14 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.262 0.968 25122
1192 1 14 . 1 1 4 4 CYS CA C 4 53.995 53.995 59.394 -5.399 25122
1193 1 14 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.491 18.840 25122
1194 1 14 . 1 1 4 4 CYS H H 4 8.164 8.164 7.822 0.342 25122
1195 1 14 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.021 2.660 25122
1196 1 14 . 1 1 5 5 GLY H H 5 9.544 9.544 8.907 0.637 25122
1197 1 14 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.660 0.044 25122
1198 1 14 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.407 -1.761 25122
1199 1 14 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.660 -0.673 25122
1200 1 14 . 1 1 6 6 LEU H H 6 6.355 6.355 7.757 -1.402 25122
1201 1 14 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.203 -1.126 25122
1202 1 14 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.046 -0.888 25122
1203 1 14 . 1 1 7 7 CYS CB C 7 38.748 38.748 28.436 10.312 25122
1204 1 14 . 1 1 7 7 CYS H H 7 8.277 8.277 8.139 0.138 25122
1205 1 14 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.948 -0.104 25122
1206 1 14 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.213 2.291 25122
1207 1 14 . 1 1 8 8 ARG CB C 8 27.840 27.840 28.836 -0.996 25122
1208 1 14 . 1 1 8 8 ARG H H 8 9.053 9.053 9.054 -0.001 25122
1209 1 14 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.370 0.392 25122
1210 1 14 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.162 -3.355 25122
1211 1 14 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.748 0.249 25122
1212 1 14 . 1 1 9 9 TYR H H 9 8.548 8.548 8.530 0.018 25122
1213 1 14 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.764 0.055 25122
1214 1 14 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.748 -2.463 25122
1215 1 14 . 1 1 10 10 ARG H H 10 8.678 8.678 7.899 0.779 25122
1216 1 14 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.932 -0.548 25122
1217 1 14 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.397 -3.665 25122
1218 1 14 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.320 13.697 25122
1219 1 14 . 1 1 11 11 CYS H H 11 7.889 7.889 8.708 -0.819 25122
1220 1 14 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.704 11.521 25122
1221 1 14 . 1 1 12 12 CYS H H 12 9.242 9.242 8.818 0.424 25122
1222 1 14 . 1 1 13 13 SER HA H 13 4.084 4.084 4.476 -0.392 25122
1223 1 14 . 1 1 13 13 SER CA C 13 59.982 59.982 58.214 1.768 25122
1224 1 14 . 1 1 13 13 SER CB C 13 61.752 61.752 63.112 -1.360 25122
1225 1 14 . 1 1 13 13 SER H H 13 9.390 9.390 8.105 1.285 25122
1226 1 14 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.090 -0.197 25122
1227 1 14 . 1 1 14 14 GLY H H 14 8.245 8.245 8.169 0.076 25122
1228 1 14 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.185 -0.876 25122
1229 1 14 . 1 1 15 15 GLY H H 15 7.870 7.870 8.011 -0.141 25122
1230 1 14 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.396 0.469 25122
1231 1 14 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.005 18.301 25122
1232 1 14 . 1 1 16 16 CYS H H 16 8.751 8.751 8.416 0.335 25122
1233 1 14 . 1 1 17 17 SER HA H 17 4.370 4.370 4.318 0.052 25122
1234 1 14 . 1 1 17 17 SER CA C 17 60.383 60.383 60.370 0.013 25122
1235 1 14 . 1 1 17 17 SER CB C 17 63.143 63.143 63.608 -0.465 25122
1236 1 14 . 1 1 17 17 SER H H 17 9.676 9.676 8.884 0.792 25122
1237 1 14 . 1 1 18 18 SER HA H 18 4.588 4.588 4.555 0.033 25122
1238 1 14 . 1 1 18 18 SER CA C 18 58.071 58.071 59.808 -1.737 25122
1239 1 14 . 1 1 18 18 SER CB C 18 65.980 65.980 63.980 2.000 25122
1240 1 14 . 1 1 18 18 SER H H 18 7.584 7.584 8.188 -0.604 25122
1241 1 14 . 1 1 19 19 GLY CA C 19 45.178 45.178 44.750 0.428 25122
1242 1 14 . 1 1 19 19 GLY H H 19 8.248 8.248 7.682 0.566 25122
1243 1 14 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.385 0.232 25122
1244 1 14 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.088 -1.186 25122
1245 1 14 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.512 2.466 25122
1246 1 14 . 1 1 20 20 LYS H H 20 8.045 8.045 8.147 -0.102 25122
1247 1 14 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.263 0.255 25122
1248 1 14 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.968 -2.932 25122
1249 1 14 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.406 14.173 25122
1250 1 14 . 1 1 21 21 CYS H H 21 9.289 9.289 8.924 0.365 25122
1251 1 14 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.917 0.357 25122
1252 1 14 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.876 -2.644 25122
1253 1 14 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.459 2.376 25122
1254 1 14 . 1 1 22 22 VAL H H 22 9.531 9.531 9.106 0.425 25122
1255 1 14 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.719 -0.336 25122
1256 1 14 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.830 0.437 25122
1257 1 14 . 1 1 23 23 ASN CB C 23 37.274 37.274 39.070 -1.796 25122
1258 1 14 . 1 1 23 23 ASN H H 23 9.697 9.697 8.024 1.673 25122
1259 1 14 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.168 1.047 25122
1260 1 14 . 1 1 24 24 GLY H H 24 8.451 8.451 7.936 0.515 25122
1261 1 14 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.548 0.522 25122
1262 1 14 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.472 1.674 25122
1263 1 14 . 1 1 25 25 ALA H H 25 8.037 8.037 7.557 0.480 25122
1264 1 14 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.461 0.291 25122
1265 1 14 . 1 1 26 26 CYS CA C 26 55.273 55.273 58.914 -3.641 25122
1266 1 14 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.163 15.333 25122
1267 1 14 . 1 1 26 26 CYS H H 26 8.901 8.901 8.842 0.059 25122
1268 1 14 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.788 0.098 25122
1269 1 14 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.178 0.370 25122
1270 1 14 . 1 1 27 27 ASP H H 27 9.766 9.766 8.127 1.639 25122
1271 1 14 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.368 0.394 25122
1272 1 14 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.843 -5.009 25122
1273 1 14 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.746 14.630 25122
1274 1 14 . 1 1 28 28 CYS H H 28 9.651 9.651 7.966 1.685 25122
1275 1 15 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.688 -0.191 25122
1276 1 15 . 1 1 2 2 PRO CA C 2 63.150 63.150 63.020 0.130 25122
1277 1 15 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.353 0.131 25122
1278 1 15 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.230 0.104 25122
1279 1 15 . 1 1 3 3 LYS CA C 3 56.331 56.331 55.744 0.587 25122
1280 1 15 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.992 0.384 25122
1281 1 15 . 1 1 3 3 LYS H H 3 8.726 8.726 9.033 -0.307 25122
1282 1 15 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.302 0.928 25122
1283 1 15 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.395 -4.400 25122
1284 1 15 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.115 19.216 25122
1285 1 15 . 1 1 4 4 CYS H H 4 8.164 8.164 7.798 0.366 25122
1286 1 15 . 1 1 5 5 GLY CA C 5 48.681 48.681 46.159 2.522 25122
1287 1 15 . 1 1 5 5 GLY H H 5 9.544 9.544 8.767 0.777 25122
1288 1 15 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.549 0.155 25122
1289 1 15 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.349 -1.703 25122
1290 1 15 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.410 -0.423 25122
1291 1 15 . 1 1 6 6 LEU H H 6 6.355 6.355 7.675 -1.320 25122
1292 1 15 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.085 -1.008 25122
1293 1 15 . 1 1 7 7 CYS CA C 7 57.158 57.158 57.976 -0.818 25122
1294 1 15 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.139 9.609 25122
1295 1 15 . 1 1 7 7 CYS H H 7 8.277 8.277 8.004 0.273 25122
1296 1 15 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.893 -0.049 25122
1297 1 15 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.871 1.633 25122
1298 1 15 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.446 -1.606 25122
1299 1 15 . 1 1 8 8 ARG H H 8 9.053 9.053 9.104 -0.051 25122
1300 1 15 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.419 0.343 25122
1301 1 15 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.363 -3.556 25122
1302 1 15 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.582 0.415 25122
1303 1 15 . 1 1 9 9 TYR H H 9 8.548 8.548 8.327 0.221 25122
1304 1 15 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.768 0.051 25122
1305 1 15 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.849 -2.565 25122
1306 1 15 . 1 1 10 10 ARG H H 10 8.678 8.678 8.043 0.635 25122
1307 1 15 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.814 -0.430 25122
1308 1 15 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.714 -3.982 25122
1309 1 15 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.736 13.281 25122
1310 1 15 . 1 1 11 11 CYS H H 11 7.889 7.889 8.643 -0.754 25122
1311 1 15 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.838 11.387 25122
1312 1 15 . 1 1 12 12 CYS H H 12 9.242 9.242 8.728 0.514 25122
1313 1 15 . 1 1 13 13 SER HA H 13 4.084 4.084 4.486 -0.402 25122
1314 1 15 . 1 1 13 13 SER CA C 13 59.982 59.982 58.404 1.578 25122
1315 1 15 . 1 1 13 13 SER CB C 13 61.752 61.752 63.315 -1.563 25122
1316 1 15 . 1 1 13 13 SER H H 13 9.390 9.390 8.507 0.883 25122
1317 1 15 . 1 1 14 14 GLY CA C 14 44.893 44.893 44.932 -0.039 25122
1318 1 15 . 1 1 14 14 GLY H H 14 8.245 8.245 8.188 0.057 25122
1319 1 15 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.444 -1.135 25122
1320 1 15 . 1 1 15 15 GLY H H 15 7.870 7.870 7.896 -0.026 25122
1321 1 15 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.308 0.557 25122
1322 1 15 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.035 18.271 25122
1323 1 15 . 1 1 16 16 CYS H H 16 8.751 8.751 8.509 0.242 25122
1324 1 15 . 1 1 17 17 SER HA H 17 4.370 4.370 4.274 0.096 25122
1325 1 15 . 1 1 17 17 SER CA C 17 60.383 60.383 60.878 -0.495 25122
1326 1 15 . 1 1 17 17 SER CB C 17 63.143 63.143 63.512 -0.369 25122
1327 1 15 . 1 1 17 17 SER H H 17 9.676 9.676 8.805 0.871 25122
1328 1 15 . 1 1 18 18 SER HA H 18 4.588 4.588 4.617 -0.029 25122
1329 1 15 . 1 1 18 18 SER CA C 18 58.071 58.071 58.906 -0.835 25122
1330 1 15 . 1 1 18 18 SER CB C 18 65.980 65.980 64.155 1.825 25122
1331 1 15 . 1 1 18 18 SER H H 18 7.584 7.584 7.990 -0.406 25122
1332 1 15 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.209 -0.031 25122
1333 1 15 . 1 1 19 19 GLY H H 19 8.248 8.248 8.001 0.247 25122
1334 1 15 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.348 0.269 25122
1335 1 15 . 1 1 20 20 LYS CA C 20 53.902 53.902 56.396 -2.494 25122
1336 1 15 . 1 1 20 20 LYS CB C 20 35.978 35.978 34.208 1.770 25122
1337 1 15 . 1 1 20 20 LYS H H 20 8.045 8.045 7.909 0.136 25122
1338 1 15 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.315 0.203 25122
1339 1 15 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.575 -2.539 25122
1340 1 15 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.118 14.461 25122
1341 1 15 . 1 1 21 21 CYS H H 21 9.289 9.289 9.070 0.219 25122
1342 1 15 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.900 0.374 25122
1343 1 15 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.547 -2.315 25122
1344 1 15 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.270 2.564 25122
1345 1 15 . 1 1 22 22 VAL H H 22 9.531 9.531 9.078 0.453 25122
1346 1 15 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.674 -0.291 25122
1347 1 15 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.707 0.560 25122
1348 1 15 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.912 -1.638 25122
1349 1 15 . 1 1 23 23 ASN H H 23 9.697 9.697 8.145 1.552 25122
1350 1 15 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.685 0.530 25122
1351 1 15 . 1 1 24 24 GLY H H 24 8.451 8.451 7.920 0.531 25122
1352 1 15 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.515 0.555 25122
1353 1 15 . 1 1 25 25 ALA CB C 25 22.146 22.146 21.073 1.073 25122
1354 1 15 . 1 1 25 25 ALA H H 25 8.037 8.037 7.502 0.535 25122
1355 1 15 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.510 0.242 25122
1356 1 15 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.470 -4.197 25122
1357 1 15 . 1 1 26 26 CYS CB C 26 40.496 40.496 26.065 14.431 25122
1358 1 15 . 1 1 26 26 CYS H H 26 8.901 8.901 8.819 0.082 25122
1359 1 15 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.825 0.061 25122
1360 1 15 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.282 0.267 25122
1361 1 15 . 1 1 27 27 ASP H H 27 9.766 9.766 8.206 1.560 25122
1362 1 15 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.425 0.337 25122
1363 1 15 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.290 -4.456 25122
1364 1 15 . 1 1 28 28 CYS CB C 28 41.376 41.376 25.998 15.378 25122
1365 1 15 . 1 1 28 28 CYS H H 28 9.651 9.651 8.135 1.516 25122
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 25122
2 1 1 "Average Difference" HA 31 0.449 -0.134 0.436 25122
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25122
4 1 1 "Average Difference" CA 22 2.535 1.262 2.250 25122
5 1 1 "Average Difference" CB 22 9.016 -5.265 7.492 25122
6 1 1 "Average Difference" HN 26 0.790 -0.402 0.694 25122
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25122
8 1 2 "Average Difference" HA 31 0.462 -0.119 0.454 25122
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25122
10 1 2 "Average Difference" CA 22 2.461 1.162 2.220 25122
11 1 2 "Average Difference" CB 22 8.919 -5.223 7.400 25122
12 1 2 "Average Difference" HN 26 0.804 -0.410 0.705 25122
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25122
14 1 3 "Average Difference" HA 31 0.409 -0.118 0.398 25122
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25122
16 1 3 "Average Difference" CA 22 2.426 1.172 2.174 25122
17 1 3 "Average Difference" CB 22 9.192 -5.429 7.592 25122
18 1 3 "Average Difference" HN 26 0.708 -0.329 0.639 25122
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25122
20 1 4 "Average Difference" HA 31 0.426 -0.137 0.410 25122
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25122
22 1 4 "Average Difference" CA 22 2.369 1.081 2.157 25122
23 1 4 "Average Difference" CB 22 9.124 -5.342 7.571 25122
24 1 4 "Average Difference" HN 26 0.733 -0.351 0.656 25122
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25122
26 1 5 "Average Difference" HA 31 0.455 -0.118 0.446 25122
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25122
28 1 5 "Average Difference" CA 22 2.423 1.143 2.187 25122
29 1 5 "Average Difference" CB 22 9.139 -5.426 7.527 25122
30 1 5 "Average Difference" HN 26 0.793 -0.428 0.681 25122
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25122
32 1 6 "Average Difference" HA 31 0.467 -0.121 0.459 25122
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25122
34 1 6 "Average Difference" CA 22 2.280 1.036 2.079 25122
35 1 6 "Average Difference" CB 22 9.022 -5.254 7.507 25122
36 1 6 "Average Difference" HN 26 0.797 -0.394 0.707 25122
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25122
38 1 7 "Average Difference" HA 31 0.432 -0.106 0.425 25122
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25122
40 1 7 "Average Difference" CA 22 2.479 1.208 2.216 25122
41 1 7 "Average Difference" CB 22 8.885 -5.154 7.408 25122
42 1 7 "Average Difference" HN 26 0.741 -0.362 0.659 25122
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25122
44 1 8 "Average Difference" HA 31 0.458 -0.127 0.447 25122
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25122
46 1 8 "Average Difference" CA 22 2.584 1.214 2.335 25122
47 1 8 "Average Difference" CB 22 8.805 -5.243 7.240 25122
48 1 8 "Average Difference" HN 26 0.826 -0.463 0.698 25122
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25122
50 1 9 "Average Difference" HA 31 0.398 -0.133 0.381 25122
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25122
52 1 9 "Average Difference" CA 22 2.279 1.068 2.060 25122
53 1 9 "Average Difference" CB 22 8.984 -5.204 7.495 25122
54 1 9 "Average Difference" HN 26 0.815 -0.409 0.719 25122
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25122
56 1 10 "Average Difference" HA 31 0.450 -0.101 0.446 25122
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25122
58 1 10 "Average Difference" CA 22 2.308 1.059 2.099 25122
59 1 10 "Average Difference" CB 22 8.940 -5.260 7.399 25122
60 1 10 "Average Difference" HN 26 0.781 -0.394 0.687 25122
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25122
62 1 11 "Average Difference" HA 31 0.491 -0.143 0.477 25122
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25122
64 1 11 "Average Difference" CA 22 2.484 1.201 2.225 25122
65 1 11 "Average Difference" CB 22 8.907 -5.265 7.353 25122
66 1 11 "Average Difference" HN 26 0.892 -0.444 0.789 25122
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25122
68 1 12 "Average Difference" HA 31 0.456 -0.132 0.444 25122
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25122
70 1 12 "Average Difference" CA 22 2.541 1.236 2.272 25122
71 1 12 "Average Difference" CB 22 8.977 -5.425 7.321 25122
72 1 12 "Average Difference" HN 26 0.822 -0.432 0.714 25122
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25122
74 1 13 "Average Difference" HA 31 0.430 -0.106 0.423 25122
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25122
76 1 13 "Average Difference" CA 22 2.563 1.138 2.351 25122
77 1 13 "Average Difference" CB 22 8.821 -5.300 7.217 25122
78 1 13 "Average Difference" HN 26 0.735 -0.338 0.665 25122
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25122
80 1 14 "Average Difference" HA 31 0.442 -0.098 0.439 25122
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25122
82 1 14 "Average Difference" CA 22 2.469 1.096 2.265 25122
83 1 14 "Average Difference" CB 22 9.043 -5.336 7.473 25122
84 1 14 "Average Difference" HN 26 0.790 -0.354 0.720 25122
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25122
86 1 15 "Average Difference" HA 31 0.415 -0.124 0.402 25122
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25122
88 1 15 "Average Difference" CA 22 2.351 1.157 2.095 25122
89 1 15 "Average Difference" CB 22 9.007 -5.286 7.463 25122
90 1 15 "Average Difference" HN 26 0.727 -0.339 0.656 25122
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 25122
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 PRO HA H 2 4.497 4.497 4.773 -0.276 25122
2 1 . 1 1 2 2 PRO CA C 2 63.150 63.150 62.805 0.344 25122
3 1 . 1 1 2 2 PRO CB C 2 32.484 32.484 32.749 -0.265 25122
4 1 . 1 1 3 3 LYS HA H 3 4.334 4.334 4.173 0.161 25122
5 1 . 1 1 3 3 LYS CA C 3 56.331 56.331 56.263 0.069 25122
6 1 . 1 1 3 3 LYS CB C 3 33.376 33.376 32.813 0.563 25122
7 1 . 1 1 3 3 LYS H H 3 8.726 8.726 8.656 0.070 25122
8 1 . 1 1 4 4 CYS HA H 4 5.230 5.230 4.180 1.050 25122
9 1 . 1 1 4 4 CYS CA C 4 53.995 53.995 58.752 -4.757 25122
10 1 . 1 1 4 4 CYS CB C 4 45.331 45.331 26.412 18.919 25122
11 1 . 1 1 4 4 CYS H H 4 8.164 8.164 7.411 0.753 25122
12 1 . 1 1 5 5 GLY CA C 5 48.681 48.681 45.997 2.684 25122
13 1 . 1 1 5 5 GLY H H 5 9.544 9.544 8.773 0.771 25122
14 1 . 1 1 6 6 LEU HA H 6 4.704 4.704 4.604 0.100 25122
15 1 . 1 1 6 6 LEU CA C 6 52.646 52.646 54.623 -1.977 25122
16 1 . 1 1 6 6 LEU CB C 6 42.987 42.987 43.580 -0.593 25122
17 1 . 1 1 6 6 LEU H H 6 6.355 6.355 7.744 -1.389 25122
18 1 . 1 1 7 7 CYS HA H 7 4.077 4.077 5.163 -1.086 25122
19 1 . 1 1 7 7 CYS CA C 7 57.158 57.158 58.042 -0.884 25122
20 1 . 1 1 7 7 CYS CB C 7 38.748 38.748 29.092 9.656 25122
21 1 . 1 1 7 7 CYS H H 7 8.277 8.277 8.051 0.226 25122
22 1 . 1 1 8 8 ARG HA H 8 3.844 3.844 3.881 -0.037 25122
23 1 . 1 1 8 8 ARG CA C 8 59.504 59.504 57.717 1.787 25122
24 1 . 1 1 8 8 ARG CB C 8 27.840 27.840 29.282 -1.442 25122
25 1 . 1 1 8 8 ARG H H 8 9.053 9.053 9.121 -0.068 25122
26 1 . 1 1 9 9 TYR HA H 9 4.762 4.762 4.340 0.422 25122
27 1 . 1 1 9 9 TYR CA C 9 56.807 56.807 60.220 -3.413 25122
28 1 . 1 1 9 9 TYR CB C 9 39.997 39.997 39.918 0.079 25122
29 1 . 1 1 9 9 TYR H H 9 8.548 8.548 8.318 0.230 25122
30 1 . 1 1 10 10 ARG HA H 10 4.819 4.819 4.621 0.198 25122
31 1 . 1 1 10 10 ARG CB C 10 30.284 30.284 32.321 -2.037 25122
32 1 . 1 1 10 10 ARG H H 10 8.678 8.678 7.748 0.930 25122
33 1 . 1 1 11 11 CYS HA H 11 4.384 4.384 4.795 -0.411 25122
34 1 . 1 1 11 11 CYS CA C 11 55.732 55.732 59.890 -4.158 25122
35 1 . 1 1 11 11 CYS CB C 11 40.017 40.017 26.442 13.575 25122
36 1 . 1 1 11 11 CYS H H 11 7.889 7.889 8.448 -0.559 25122
37 1 . 1 1 12 12 CYS CB C 12 39.225 39.225 27.681 11.544 25122
38 1 . 1 1 12 12 CYS H H 12 9.242 9.242 8.826 0.416 25122
39 1 . 1 1 13 13 SER HA H 13 4.084 4.084 4.540 -0.456 25122
40 1 . 1 1 13 13 SER CA C 13 59.982 59.982 58.352 1.630 25122
41 1 . 1 1 13 13 SER CB C 13 61.752 61.752 63.460 -1.708 25122
42 1 . 1 1 13 13 SER H H 13 9.390 9.390 8.342 1.048 25122
43 1 . 1 1 14 14 GLY CA C 14 44.893 44.893 45.014 -0.121 25122
44 1 . 1 1 14 14 GLY H H 14 8.245 8.245 8.107 0.138 25122
45 1 . 1 1 15 15 GLY CA C 15 44.309 44.309 45.162 -0.853 25122
46 1 . 1 1 15 15 GLY H H 15 7.870 7.870 7.896 -0.026 25122
47 1 . 1 1 16 16 CYS HA H 16 4.865 4.865 4.429 0.436 25122
48 1 . 1 1 16 16 CYS CB C 16 46.306 46.306 28.237 18.069 25122
49 1 . 1 1 16 16 CYS H H 16 8.751 8.751 8.558 0.193 25122
50 1 . 1 1 17 17 SER HA H 17 4.370 4.370 4.376 -0.006 25122
51 1 . 1 1 17 17 SER CA C 17 60.383 60.383 60.223 0.160 25122
52 1 . 1 1 17 17 SER CB C 17 63.143 63.143 63.665 -0.522 25122
53 1 . 1 1 17 17 SER H H 17 9.676 9.676 8.777 0.899 25122
54 1 . 1 1 18 18 SER HA H 18 4.588 4.588 4.551 0.037 25122
55 1 . 1 1 18 18 SER CA C 18 58.071 58.071 59.708 -1.637 25122
56 1 . 1 1 18 18 SER CB C 18 65.980 65.980 64.029 1.951 25122
57 1 . 1 1 18 18 SER H H 18 7.584 7.584 8.100 -0.516 25122
58 1 . 1 1 19 19 GLY CA C 19 45.178 45.178 45.098 0.081 25122
59 1 . 1 1 19 19 GLY H H 19 8.248 8.248 7.755 0.493 25122
60 1 . 1 1 20 20 LYS HA H 20 4.617 4.617 4.362 0.255 25122
61 1 . 1 1 20 20 LYS CA C 20 53.902 53.902 55.681 -1.779 25122
62 1 . 1 1 20 20 LYS CB C 20 35.978 35.978 33.675 2.303 25122
63 1 . 1 1 20 20 LYS H H 20 8.045 8.045 8.016 0.029 25122
64 1 . 1 1 21 21 CYS HA H 21 4.518 4.518 4.304 0.214 25122
65 1 . 1 1 21 21 CYS CA C 21 58.036 58.036 60.633 -2.597 25122
66 1 . 1 1 21 21 CYS CB C 21 40.579 40.579 26.011 14.568 25122
67 1 . 1 1 21 21 CYS H H 21 9.289 9.289 8.993 0.296 25122
68 1 . 1 1 22 22 VAL HA H 22 4.274 4.274 3.927 0.347 25122
69 1 . 1 1 22 22 VAL CA C 22 62.232 62.232 64.380 -2.148 25122
70 1 . 1 1 22 22 VAL CB C 22 34.834 34.834 32.446 2.388 25122
71 1 . 1 1 22 22 VAL H H 22 9.531 9.531 9.082 0.449 25122
72 1 . 1 1 23 23 ASN HA H 23 4.383 4.383 4.702 -0.319 25122
73 1 . 1 1 23 23 ASN CA C 23 54.267 54.267 53.939 0.328 25122
74 1 . 1 1 23 23 ASN CB C 23 37.274 37.274 38.726 -1.452 25122
75 1 . 1 1 23 23 ASN H H 23 9.697 9.697 8.140 1.557 25122
76 1 . 1 1 24 24 GLY CA C 24 46.215 46.215 45.324 0.891 25122
77 1 . 1 1 24 24 GLY H H 24 8.451 8.451 8.066 0.385 25122
78 1 . 1 1 25 25 ALA HA H 25 5.070 5.070 4.574 0.496 25122
79 1 . 1 1 25 25 ALA CB C 25 22.146 22.146 20.984 1.162 25122
80 1 . 1 1 25 25 ALA H H 25 8.037 8.037 7.490 0.547 25122
81 1 . 1 1 26 26 CYS HA H 26 4.752 4.752 4.479 0.273 25122
82 1 . 1 1 26 26 CYS CA C 26 55.273 55.273 59.428 -4.155 25122
83 1 . 1 1 26 26 CYS CB C 26 40.496 40.496 25.740 14.755 25122
84 1 . 1 1 26 26 CYS H H 26 8.901 8.901 8.812 0.089 25122
85 1 . 1 1 27 27 ASP HA H 27 4.886 4.886 4.798 0.088 25122
86 1 . 1 1 27 27 ASP CB C 27 40.549 40.549 40.405 0.144 25122
87 1 . 1 1 27 27 ASP H H 27 9.766 9.766 8.143 1.623 25122
88 1 . 1 1 28 28 CYS HA H 28 4.762 4.762 4.398 0.364 25122
89 1 . 1 1 28 28 CYS CA C 28 53.834 53.834 58.605 -4.771 25122
90 1 . 1 1 28 28 CYS CB C 28 41.376 41.376 26.564 14.812 25122
91 1 . 1 1 28 28 CYS H H 28 9.651 9.651 8.096 1.555 25122
stop_
save_