data_18964
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18964
_Entry.PDB_ID 2M3I
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 18964
_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 CYS HA H 2 4.661 4.661 4.457 0.204 18964
2 1 1 . 1 1 2 2 CYS H H 2 9.010 9.010 8.771 0.239 18964
3 1 1 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.322 0.283 18964
4 1 1 . 1 1 3 3 CYS H H 3 8.555 8.555 8.814 -0.259 18964
5 1 1 . 1 1 4 4 SER HA H 4 4.506 4.506 4.570 -0.064 18964
6 1 1 . 1 1 4 4 SER H H 4 7.895 7.895 7.642 0.253 18964
7 1 1 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.961 0.219 18964
8 1 1 . 1 1 5 5 HIS H H 5 8.208 8.208 7.901 0.307 18964
9 1 1 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.939 0.414 18964
10 1 1 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.680 0.287 18964
11 1 1 . 1 1 7 7 VAL H H 7 7.801 7.801 7.804 -0.003 18964
12 1 1 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.264 0.033 18964
13 1 1 . 1 1 8 8 CYS H H 8 8.039 8.039 8.121 -0.082 18964
14 1 1 . 1 1 9 9 SER HA H 9 4.371 4.371 4.218 0.153 18964
15 1 1 . 1 1 9 9 SER H H 9 8.554 8.554 8.230 0.324 18964
16 1 1 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.263 -0.002 18964
17 1 1 . 1 1 10 10 ALA H H 10 7.636 7.636 7.650 -0.014 18964
18 1 1 . 1 1 11 11 MET HA H 11 4.597 4.597 4.416 0.181 18964
19 1 1 . 1 1 11 11 MET H H 11 7.628 7.628 7.421 0.207 18964
20 1 1 . 1 1 12 12 SER HA H 12 5.066 5.066 4.927 0.139 18964
21 1 1 . 1 1 12 12 SER H H 12 7.577 7.577 7.874 -0.297 18964
22 1 1 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.785 -0.290 18964
23 1 1 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.149 0.037 18964
24 1 1 . 1 1 14 14 ILE H H 14 7.420 7.420 8.196 -0.776 18964
25 1 2 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.553 0.108 18964
26 1 2 . 1 1 2 2 CYS H H 2 9.010 9.010 8.682 0.328 18964
27 1 2 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.435 0.170 18964
28 1 2 . 1 1 3 3 CYS H H 3 8.555 8.555 8.778 -0.223 18964
29 1 2 . 1 1 4 4 SER HA H 4 4.506 4.506 4.610 -0.104 18964
30 1 2 . 1 1 4 4 SER H H 4 7.895 7.895 7.632 0.263 18964
31 1 2 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.948 0.232 18964
32 1 2 . 1 1 5 5 HIS H H 5 8.208 8.208 7.817 0.391 18964
33 1 2 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964
34 1 2 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.605 0.362 18964
35 1 2 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964
36 1 2 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.288 0.009 18964
37 1 2 . 1 1 8 8 CYS H H 8 8.039 8.039 8.116 -0.077 18964
38 1 2 . 1 1 9 9 SER HA H 9 4.371 4.371 4.205 0.166 18964
39 1 2 . 1 1 9 9 SER H H 9 8.554 8.554 8.365 0.189 18964
40 1 2 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.246 0.015 18964
41 1 2 . 1 1 10 10 ALA H H 10 7.636 7.636 8.035 -0.399 18964
42 1 2 . 1 1 11 11 MET HA H 11 4.597 4.597 4.197 0.400 18964
43 1 2 . 1 1 11 11 MET H H 11 7.628 7.628 7.462 0.166 18964
44 1 2 . 1 1 12 12 SER HA H 12 5.066 5.066 4.929 0.137 18964
45 1 2 . 1 1 12 12 SER H H 12 7.577 7.577 8.088 -0.511 18964
46 1 2 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964
47 1 2 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964
48 1 2 . 1 1 14 14 ILE H H 14 7.420 7.420 8.223 -0.803 18964
49 1 3 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.906 -0.245 18964
50 1 3 . 1 1 2 2 CYS H H 2 9.010 9.010 8.581 0.429 18964
51 1 3 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.249 0.356 18964
52 1 3 . 1 1 3 3 CYS H H 3 8.555 8.555 8.767 -0.212 18964
53 1 3 . 1 1 4 4 SER HA H 4 4.506 4.506 4.452 0.054 18964
54 1 3 . 1 1 4 4 SER H H 4 7.895 7.895 8.146 -0.251 18964
55 1 3 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.920 0.260 18964
56 1 3 . 1 1 5 5 HIS H H 5 8.208 8.208 7.918 0.290 18964
57 1 3 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.022 0.331 18964
58 1 3 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.751 0.216 18964
59 1 3 . 1 1 7 7 VAL H H 7 7.801 7.801 7.779 0.022 18964
60 1 3 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.425 -0.128 18964
61 1 3 . 1 1 8 8 CYS H H 8 8.039 8.039 8.266 -0.227 18964
62 1 3 . 1 1 9 9 SER HA H 9 4.371 4.371 4.233 0.138 18964
63 1 3 . 1 1 9 9 SER H H 9 8.554 8.554 8.287 0.267 18964
64 1 3 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.281 -0.020 18964
65 1 3 . 1 1 10 10 ALA H H 10 7.636 7.636 8.041 -0.405 18964
66 1 3 . 1 1 11 11 MET HA H 11 4.597 4.597 4.207 0.390 18964
67 1 3 . 1 1 11 11 MET H H 11 7.628 7.628 7.453 0.175 18964
68 1 3 . 1 1 12 12 SER HA H 12 5.066 5.066 4.934 0.132 18964
69 1 3 . 1 1 12 12 SER H H 12 7.577 7.577 8.092 -0.515 18964
70 1 3 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.818 -0.323 18964
71 1 3 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.227 -0.041 18964
72 1 3 . 1 1 14 14 ILE H H 14 7.420 7.420 8.122 -0.702 18964
73 1 4 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.822 -0.161 18964
74 1 4 . 1 1 2 2 CYS H H 2 9.010 9.010 8.936 0.074 18964
75 1 4 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.075 0.530 18964
76 1 4 . 1 1 3 3 CYS H H 3 8.555 8.555 8.870 -0.315 18964
77 1 4 . 1 1 4 4 SER HA H 4 4.506 4.506 4.557 -0.051 18964
78 1 4 . 1 1 4 4 SER H H 4 7.895 7.895 8.193 -0.298 18964
79 1 4 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.944 0.236 18964
80 1 4 . 1 1 5 5 HIS H H 5 8.208 8.208 7.606 0.602 18964
81 1 4 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.024 0.329 18964
82 1 4 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.827 0.140 18964
83 1 4 . 1 1 7 7 VAL H H 7 7.801 7.801 7.891 -0.090 18964
84 1 4 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.496 -0.199 18964
85 1 4 . 1 1 8 8 CYS H H 8 8.039 8.039 8.281 -0.242 18964
86 1 4 . 1 1 9 9 SER HA H 9 4.371 4.371 4.496 -0.125 18964
87 1 4 . 1 1 9 9 SER H H 9 8.554 8.554 8.553 0.001 18964
88 1 4 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.299 -0.038 18964
89 1 4 . 1 1 10 10 ALA H H 10 7.636 7.636 7.359 0.277 18964
90 1 4 . 1 1 11 11 MET HA H 11 4.597 4.597 4.457 0.140 18964
91 1 4 . 1 1 11 11 MET H H 11 7.628 7.628 7.695 -0.067 18964
92 1 4 . 1 1 12 12 SER HA H 12 5.066 5.066 4.957 0.109 18964
93 1 4 . 1 1 12 12 SER H H 12 7.577 7.577 8.363 -0.786 18964
94 1 4 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.882 -0.387 18964
95 1 4 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.958 0.228 18964
96 1 4 . 1 1 14 14 ILE H H 14 7.420 7.420 8.131 -0.711 18964
97 1 5 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.502 0.159 18964
98 1 5 . 1 1 2 2 CYS H H 2 9.010 9.010 8.664 0.346 18964
99 1 5 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.525 0.080 18964
100 1 5 . 1 1 3 3 CYS H H 3 8.555 8.555 8.792 -0.237 18964
101 1 5 . 1 1 4 4 SER HA H 4 4.506 4.506 4.556 -0.050 18964
102 1 5 . 1 1 4 4 SER H H 4 7.895 7.895 7.795 0.100 18964
103 1 5 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.931 0.249 18964
104 1 5 . 1 1 5 5 HIS H H 5 8.208 8.208 7.756 0.452 18964
105 1 5 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964
106 1 5 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.733 0.234 18964
107 1 5 . 1 1 7 7 VAL H H 7 7.801 7.801 8.254 -0.453 18964
108 1 5 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.642 -0.345 18964
109 1 5 . 1 1 8 8 CYS H H 8 8.039 8.039 8.563 -0.524 18964
110 1 5 . 1 1 9 9 SER HA H 9 4.371 4.371 4.207 0.164 18964
111 1 5 . 1 1 9 9 SER H H 9 8.554 8.554 8.168 0.386 18964
112 1 5 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.262 -0.001 18964
113 1 5 . 1 1 10 10 ALA H H 10 7.636 7.636 8.199 -0.563 18964
114 1 5 . 1 1 11 11 MET HA H 11 4.597 4.597 4.256 0.341 18964
115 1 5 . 1 1 11 11 MET H H 11 7.628 7.628 7.869 -0.241 18964
116 1 5 . 1 1 12 12 SER HA H 12 5.066 5.066 4.935 0.131 18964
117 1 5 . 1 1 12 12 SER H H 12 7.577 7.577 8.028 -0.451 18964
118 1 5 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.784 -0.289 18964
119 1 5 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.122 0.064 18964
120 1 5 . 1 1 14 14 ILE H H 14 7.420 7.420 8.211 -0.791 18964
121 1 6 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.857 -0.196 18964
122 1 6 . 1 1 2 2 CYS H H 2 9.010 9.010 8.104 0.906 18964
123 1 6 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.531 0.074 18964
124 1 6 . 1 1 3 3 CYS H H 3 8.555 8.555 8.814 -0.259 18964
125 1 6 . 1 1 4 4 SER HA H 4 4.506 4.506 4.516 -0.010 18964
126 1 6 . 1 1 4 4 SER H H 4 7.895 7.895 8.301 -0.406 18964
127 1 6 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.915 0.265 18964
128 1 6 . 1 1 5 5 HIS H H 5 8.208 8.208 7.956 0.252 18964
129 1 6 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964
130 1 6 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.859 0.108 18964
131 1 6 . 1 1 7 7 VAL H H 7 7.801 7.801 7.847 -0.046 18964
132 1 6 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.319 -0.022 18964
133 1 6 . 1 1 8 8 CYS H H 8 8.039 8.039 8.329 -0.290 18964
134 1 6 . 1 1 9 9 SER HA H 9 4.371 4.371 4.350 0.021 18964
135 1 6 . 1 1 9 9 SER H H 9 8.554 8.554 8.547 0.007 18964
136 1 6 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.296 -0.035 18964
137 1 6 . 1 1 10 10 ALA H H 10 7.636 7.636 7.229 0.407 18964
138 1 6 . 1 1 11 11 MET HA H 11 4.597 4.597 4.351 0.246 18964
139 1 6 . 1 1 11 11 MET H H 11 7.628 7.628 7.882 -0.254 18964
140 1 6 . 1 1 12 12 SER HA H 12 5.066 5.066 4.907 0.159 18964
141 1 6 . 1 1 12 12 SER H H 12 7.577 7.577 8.237 -0.660 18964
142 1 6 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.861 -0.366 18964
143 1 6 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.215 -0.029 18964
144 1 6 . 1 1 14 14 ILE H H 14 7.420 7.420 8.134 -0.714 18964
145 1 7 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.914 -0.253 18964
146 1 7 . 1 1 2 2 CYS H H 2 9.010 9.010 8.758 0.252 18964
147 1 7 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.041 0.564 18964
148 1 7 . 1 1 3 3 CYS H H 3 8.555 8.555 8.852 -0.297 18964
149 1 7 . 1 1 4 4 SER HA H 4 4.506 4.506 4.439 0.067 18964
150 1 7 . 1 1 4 4 SER H H 4 7.895 7.895 8.216 -0.321 18964
151 1 7 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.942 0.238 18964
152 1 7 . 1 1 5 5 HIS H H 5 8.208 8.208 7.577 0.631 18964
153 1 7 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.082 0.271 18964
154 1 7 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.929 0.038 18964
155 1 7 . 1 1 7 7 VAL H H 7 7.801 7.801 8.028 -0.227 18964
156 1 7 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.602 -0.305 18964
157 1 7 . 1 1 8 8 CYS H H 8 8.039 8.039 8.362 -0.323 18964
158 1 7 . 1 1 9 9 SER HA H 9 4.371 4.371 4.259 0.112 18964
159 1 7 . 1 1 9 9 SER H H 9 8.554 8.554 8.362 0.192 18964
160 1 7 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.283 -0.022 18964
161 1 7 . 1 1 10 10 ALA H H 10 7.636 7.636 7.427 0.209 18964
162 1 7 . 1 1 11 11 MET HA H 11 4.597 4.597 4.417 0.180 18964
163 1 7 . 1 1 11 11 MET H H 11 7.628 7.628 7.821 -0.193 18964
164 1 7 . 1 1 12 12 SER HA H 12 5.066 5.066 4.927 0.139 18964
165 1 7 . 1 1 12 12 SER H H 12 7.577 7.577 7.682 -0.105 18964
166 1 7 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.777 -0.282 18964
167 1 7 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.286 -0.100 18964
168 1 7 . 1 1 14 14 ILE H H 14 7.420 7.420 8.097 -0.677 18964
169 1 8 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.414 0.247 18964
170 1 8 . 1 1 2 2 CYS H H 2 9.010 9.010 8.707 0.303 18964
171 1 8 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.533 0.072 18964
172 1 8 . 1 1 3 3 CYS H H 3 8.555 8.555 8.332 0.223 18964
173 1 8 . 1 1 4 4 SER HA H 4 4.506 4.506 4.576 -0.070 18964
174 1 8 . 1 1 4 4 SER H H 4 7.895 7.895 7.798 0.097 18964
175 1 8 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.985 0.195 18964
176 1 8 . 1 1 5 5 HIS H H 5 8.208 8.208 7.782 0.426 18964
177 1 8 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.051 0.302 18964
178 1 8 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.611 0.356 18964
179 1 8 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964
180 1 8 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.465 -0.168 18964
181 1 8 . 1 1 8 8 CYS H H 8 8.039 8.039 7.917 0.122 18964
182 1 8 . 1 1 9 9 SER HA H 9 4.371 4.371 4.710 -0.339 18964
183 1 8 . 1 1 9 9 SER H H 9 8.554 8.554 8.705 -0.151 18964
184 1 8 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964
185 1 8 . 1 1 10 10 ALA H H 10 7.636 7.636 7.893 -0.257 18964
186 1 8 . 1 1 11 11 MET HA H 11 4.597 4.597 4.285 0.312 18964
187 1 8 . 1 1 11 11 MET H H 11 7.628 7.628 7.507 0.121 18964
188 1 8 . 1 1 12 12 SER HA H 12 5.066 5.066 4.917 0.149 18964
189 1 8 . 1 1 12 12 SER H H 12 7.577 7.577 8.152 -0.575 18964
190 1 8 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.813 -0.318 18964
191 1 8 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.923 0.263 18964
192 1 8 . 1 1 14 14 ILE H H 14 7.420 7.420 8.334 -0.914 18964
193 1 9 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.435 0.226 18964
194 1 9 . 1 1 2 2 CYS H H 2 9.010 9.010 8.694 0.316 18964
195 1 9 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.727 -0.122 18964
196 1 9 . 1 1 3 3 CYS H H 3 8.555 8.555 8.459 0.096 18964
197 1 9 . 1 1 4 4 SER HA H 4 4.506 4.506 4.621 -0.115 18964
198 1 9 . 1 1 4 4 SER H H 4 7.895 7.895 7.649 0.246 18964
199 1 9 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.970 0.210 18964
200 1 9 . 1 1 5 5 HIS H H 5 8.208 8.208 7.892 0.316 18964
201 1 9 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.094 0.259 18964
202 1 9 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.690 0.277 18964
203 1 9 . 1 1 7 7 VAL H H 7 7.801 7.801 7.352 0.449 18964
204 1 9 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.639 -0.342 18964
205 1 9 . 1 1 8 8 CYS H H 8 8.039 8.039 7.953 0.086 18964
206 1 9 . 1 1 9 9 SER HA H 9 4.371 4.371 4.494 -0.123 18964
207 1 9 . 1 1 9 9 SER H H 9 8.554 8.554 8.668 -0.114 18964
208 1 9 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.288 -0.027 18964
209 1 9 . 1 1 10 10 ALA H H 10 7.636 7.636 7.683 -0.047 18964
210 1 9 . 1 1 11 11 MET HA H 11 4.597 4.597 4.334 0.263 18964
211 1 9 . 1 1 11 11 MET H H 11 7.628 7.628 7.526 0.102 18964
212 1 9 . 1 1 12 12 SER HA H 12 5.066 5.066 4.951 0.115 18964
213 1 9 . 1 1 12 12 SER H H 12 7.577 7.577 7.986 -0.409 18964
214 1 9 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.868 -0.373 18964
215 1 9 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.946 0.240 18964
216 1 9 . 1 1 14 14 ILE H H 14 7.420 7.420 8.171 -0.751 18964
217 1 10 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.837 -0.176 18964
218 1 10 . 1 1 2 2 CYS H H 2 9.010 9.010 8.416 0.594 18964
219 1 10 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.077 0.528 18964
220 1 10 . 1 1 3 3 CYS H H 3 8.555 8.555 8.690 -0.135 18964
221 1 10 . 1 1 4 4 SER HA H 4 4.506 4.506 4.570 -0.064 18964
222 1 10 . 1 1 4 4 SER H H 4 7.895 7.895 8.144 -0.249 18964
223 1 10 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.915 0.265 18964
224 1 10 . 1 1 5 5 HIS H H 5 8.208 8.208 7.694 0.514 18964
225 1 10 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.002 0.351 18964
226 1 10 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.678 0.289 18964
227 1 10 . 1 1 7 7 VAL H H 7 7.801 7.801 7.524 0.277 18964
228 1 10 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.221 0.076 18964
229 1 10 . 1 1 8 8 CYS H H 8 8.039 8.039 8.045 -0.006 18964
230 1 10 . 1 1 9 9 SER HA H 9 4.371 4.371 4.332 0.039 18964
231 1 10 . 1 1 9 9 SER H H 9 8.554 8.554 8.740 -0.186 18964
232 1 10 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.281 -0.020 18964
233 1 10 . 1 1 10 10 ALA H H 10 7.636 7.636 7.417 0.219 18964
234 1 10 . 1 1 11 11 MET HA H 11 4.597 4.597 4.364 0.233 18964
235 1 10 . 1 1 11 11 MET H H 11 7.628 7.628 7.984 -0.356 18964
236 1 10 . 1 1 12 12 SER HA H 12 5.066 5.066 4.974 0.092 18964
237 1 10 . 1 1 12 12 SER H H 12 7.577 7.577 7.944 -0.367 18964
238 1 10 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.877 -0.382 18964
239 1 10 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.151 0.035 18964
240 1 10 . 1 1 14 14 ILE H H 14 7.420 7.420 8.137 -0.717 18964
241 1 11 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.478 0.183 18964
242 1 11 . 1 1 2 2 CYS H H 2 9.010 9.010 8.590 0.420 18964
243 1 11 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.784 -0.179 18964
244 1 11 . 1 1 3 3 CYS H H 3 8.555 8.555 8.419 0.136 18964
245 1 11 . 1 1 4 4 SER HA H 4 4.506 4.506 4.545 -0.039 18964
246 1 11 . 1 1 4 4 SER H H 4 7.895 7.895 7.587 0.308 18964
247 1 11 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.027 0.153 18964
248 1 11 . 1 1 5 5 HIS H H 5 8.208 8.208 7.847 0.361 18964
249 1 11 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.925 0.428 18964
250 1 11 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.814 0.153 18964
251 1 11 . 1 1 7 7 VAL H H 7 7.801 7.801 7.868 -0.067 18964
252 1 11 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.335 -0.038 18964
253 1 11 . 1 1 8 8 CYS H H 8 8.039 8.039 8.013 0.026 18964
254 1 11 . 1 1 9 9 SER HA H 9 4.371 4.371 4.723 -0.352 18964
255 1 11 . 1 1 9 9 SER H H 9 8.554 8.554 8.891 -0.337 18964
256 1 11 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.297 -0.036 18964
257 1 11 . 1 1 10 10 ALA H H 10 7.636 7.636 7.171 0.465 18964
258 1 11 . 1 1 11 11 MET HA H 11 4.597 4.597 4.362 0.235 18964
259 1 11 . 1 1 11 11 MET H H 11 7.628 7.628 7.940 -0.312 18964
260 1 11 . 1 1 12 12 SER HA H 12 5.066 5.066 4.951 0.115 18964
261 1 11 . 1 1 12 12 SER H H 12 7.577 7.577 8.259 -0.682 18964
262 1 11 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.961 -0.466 18964
263 1 11 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.106 0.080 18964
264 1 11 . 1 1 14 14 ILE H H 14 7.420 7.420 8.173 -0.753 18964
265 1 12 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.562 0.099 18964
266 1 12 . 1 1 2 2 CYS H H 2 9.010 9.010 8.300 0.710 18964
267 1 12 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.001 0.604 18964
268 1 12 . 1 1 3 3 CYS H H 3 8.555 8.555 8.535 0.020 18964
269 1 12 . 1 1 4 4 SER HA H 4 4.506 4.506 4.533 -0.027 18964
270 1 12 . 1 1 4 4 SER H H 4 7.895 7.895 8.215 -0.320 18964
271 1 12 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.757 0.423 18964
272 1 12 . 1 1 5 5 HIS H H 5 8.208 8.208 8.110 0.098 18964
273 1 12 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.064 0.289 18964
274 1 12 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.919 0.048 18964
275 1 12 . 1 1 7 7 VAL H H 7 7.801 7.801 7.831 -0.030 18964
276 1 12 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.496 -0.199 18964
277 1 12 . 1 1 8 8 CYS H H 8 8.039 8.039 9.128 -1.089 18964
278 1 12 . 1 1 9 9 SER HA H 9 4.371 4.371 4.352 0.019 18964
279 1 12 . 1 1 9 9 SER H H 9 8.554 8.554 8.741 -0.187 18964
280 1 12 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.195 0.066 18964
281 1 12 . 1 1 10 10 ALA H H 10 7.636 7.636 7.515 0.121 18964
282 1 12 . 1 1 11 11 MET HA H 11 4.597 4.597 4.550 0.047 18964
283 1 12 . 1 1 11 11 MET H H 11 7.628 7.628 7.284 0.344 18964
284 1 12 . 1 1 12 12 SER HA H 12 5.066 5.066 4.944 0.122 18964
285 1 12 . 1 1 12 12 SER H H 12 7.577 7.577 8.283 -0.706 18964
286 1 12 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.745 -0.250 18964
287 1 12 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.021 0.165 18964
288 1 12 . 1 1 14 14 ILE H H 14 7.420 7.420 8.106 -0.686 18964
289 1 13 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.370 0.291 18964
290 1 13 . 1 1 2 2 CYS H H 2 9.010 9.010 8.806 0.204 18964
291 1 13 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.385 0.220 18964
292 1 13 . 1 1 3 3 CYS H H 3 8.555 8.555 8.634 -0.079 18964
293 1 13 . 1 1 4 4 SER HA H 4 4.506 4.506 4.554 -0.048 18964
294 1 13 . 1 1 4 4 SER H H 4 7.895 7.895 7.723 0.172 18964
295 1 13 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.889 0.291 18964
296 1 13 . 1 1 5 5 HIS H H 5 8.208 8.208 7.739 0.469 18964
297 1 13 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.988 0.365 18964
298 1 13 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.616 0.351 18964
299 1 13 . 1 1 7 7 VAL H H 7 7.801 7.801 7.705 0.096 18964
300 1 13 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.605 -0.308 18964
301 1 13 . 1 1 8 8 CYS H H 8 8.039 8.039 8.098 -0.059 18964
302 1 13 . 1 1 9 9 SER HA H 9 4.371 4.371 4.172 0.199 18964
303 1 13 . 1 1 9 9 SER H H 9 8.554 8.554 8.507 0.047 18964
304 1 13 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964
305 1 13 . 1 1 10 10 ALA H H 10 7.636 7.636 8.223 -0.587 18964
306 1 13 . 1 1 11 11 MET HA H 11 4.597 4.597 4.387 0.210 18964
307 1 13 . 1 1 11 11 MET H H 11 7.628 7.628 7.830 -0.203 18964
308 1 13 . 1 1 12 12 SER HA H 12 5.066 5.066 4.936 0.130 18964
309 1 13 . 1 1 12 12 SER H H 12 7.577 7.577 8.155 -0.578 18964
310 1 13 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.770 -0.275 18964
311 1 13 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.070 0.116 18964
312 1 13 . 1 1 14 14 ILE H H 14 7.420 7.420 8.040 -0.620 18964
313 1 14 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.652 0.009 18964
314 1 14 . 1 1 2 2 CYS H H 2 9.010 9.010 8.618 0.392 18964
315 1 14 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.361 0.244 18964
316 1 14 . 1 1 3 3 CYS H H 3 8.555 8.555 8.870 -0.315 18964
317 1 14 . 1 1 4 4 SER HA H 4 4.506 4.506 4.452 0.054 18964
318 1 14 . 1 1 4 4 SER H H 4 7.895 7.895 8.249 -0.354 18964
319 1 14 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.998 0.182 18964
320 1 14 . 1 1 5 5 HIS H H 5 8.208 8.208 7.917 0.291 18964
321 1 14 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.913 0.440 18964
322 1 14 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.698 0.269 18964
323 1 14 . 1 1 7 7 VAL H H 7 7.801 7.801 7.850 -0.049 18964
324 1 14 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.309 -0.012 18964
325 1 14 . 1 1 8 8 CYS H H 8 8.039 8.039 8.312 -0.273 18964
326 1 14 . 1 1 9 9 SER HA H 9 4.371 4.371 4.218 0.153 18964
327 1 14 . 1 1 9 9 SER H H 9 8.554 8.554 8.232 0.322 18964
328 1 14 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.198 0.063 18964
329 1 14 . 1 1 10 10 ALA H H 10 7.636 7.636 8.138 -0.502 18964
330 1 14 . 1 1 11 11 MET HA H 11 4.597 4.597 4.243 0.354 18964
331 1 14 . 1 1 11 11 MET H H 11 7.628 7.628 7.640 -0.012 18964
332 1 14 . 1 1 12 12 SER HA H 12 5.066 5.066 4.893 0.173 18964
333 1 14 . 1 1 12 12 SER H H 12 7.577 7.577 7.972 -0.395 18964
334 1 14 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964
335 1 14 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.005 0.181 18964
336 1 14 . 1 1 14 14 ILE H H 14 7.420 7.420 8.184 -0.764 18964
337 1 15 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.722 -0.061 18964
338 1 15 . 1 1 2 2 CYS H H 2 9.010 9.010 8.714 0.296 18964
339 1 15 . 1 1 3 3 CYS HA H 3 4.605 4.605 3.995 0.610 18964
340 1 15 . 1 1 3 3 CYS H H 3 8.555 8.555 8.822 -0.267 18964
341 1 15 . 1 1 4 4 SER HA H 4 4.506 4.506 4.508 -0.002 18964
342 1 15 . 1 1 4 4 SER H H 4 7.895 7.895 8.261 -0.366 18964
343 1 15 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.852 0.328 18964
344 1 15 . 1 1 5 5 HIS H H 5 8.208 8.208 8.160 0.048 18964
345 1 15 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.965 0.388 18964
346 1 15 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.714 0.253 18964
347 1 15 . 1 1 7 7 VAL H H 7 7.801 7.801 7.912 -0.111 18964
348 1 15 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.311 -0.014 18964
349 1 15 . 1 1 8 8 CYS H H 8 8.039 8.039 8.144 -0.105 18964
350 1 15 . 1 1 9 9 SER HA H 9 4.371 4.371 4.300 0.071 18964
351 1 15 . 1 1 9 9 SER H H 9 8.554 8.554 8.638 -0.084 18964
352 1 15 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.345 -0.084 18964
353 1 15 . 1 1 10 10 ALA H H 10 7.636 7.636 7.552 0.084 18964
354 1 15 . 1 1 11 11 MET HA H 11 4.597 4.597 4.438 0.159 18964
355 1 15 . 1 1 11 11 MET H H 11 7.628 7.628 7.669 -0.041 18964
356 1 15 . 1 1 12 12 SER HA H 12 5.066 5.066 4.941 0.125 18964
357 1 15 . 1 1 12 12 SER H H 12 7.577 7.577 8.099 -0.522 18964
358 1 15 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.846 -0.351 18964
359 1 15 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.972 0.214 18964
360 1 15 . 1 1 14 14 ILE H H 14 7.420 7.420 8.165 -0.745 18964
361 1 16 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.530 0.131 18964
362 1 16 . 1 1 2 2 CYS H H 2 9.010 9.010 8.723 0.287 18964
363 1 16 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.283 0.322 18964
364 1 16 . 1 1 3 3 CYS H H 3 8.555 8.555 8.688 -0.133 18964
365 1 16 . 1 1 4 4 SER HA H 4 4.506 4.506 4.391 0.115 18964
366 1 16 . 1 1 4 4 SER H H 4 7.895 7.895 8.040 -0.145 18964
367 1 16 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.969 0.211 18964
368 1 16 . 1 1 5 5 HIS H H 5 8.208 8.208 7.909 0.299 18964
369 1 16 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.996 0.357 18964
370 1 16 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.669 0.298 18964
371 1 16 . 1 1 7 7 VAL H H 7 7.801 7.801 8.201 -0.400 18964
372 1 16 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.369 -0.072 18964
373 1 16 . 1 1 8 8 CYS H H 8 8.039 8.039 8.201 -0.162 18964
374 1 16 . 1 1 9 9 SER HA H 9 4.371 4.371 4.231 0.140 18964
375 1 16 . 1 1 9 9 SER H H 9 8.554 8.554 8.619 -0.065 18964
376 1 16 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.255 0.006 18964
377 1 16 . 1 1 10 10 ALA H H 10 7.636 7.636 8.099 -0.463 18964
378 1 16 . 1 1 11 11 MET HA H 11 4.597 4.597 4.277 0.320 18964
379 1 16 . 1 1 11 11 MET H H 11 7.628 7.628 7.645 -0.017 18964
380 1 16 . 1 1 12 12 SER HA H 12 5.066 5.066 4.936 0.130 18964
381 1 16 . 1 1 12 12 SER H H 12 7.577 7.577 8.009 -0.432 18964
382 1 16 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.717 -0.222 18964
383 1 16 . 1 1 14 14 ILE HA H 14 4.186 4.186 3.987 0.199 18964
384 1 16 . 1 1 14 14 ILE H H 14 7.420 7.420 8.127 -0.707 18964
385 1 17 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.371 0.290 18964
386 1 17 . 1 1 2 2 CYS H H 2 9.010 9.010 8.829 0.181 18964
387 1 17 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.398 0.207 18964
388 1 17 . 1 1 3 3 CYS H H 3 8.555 8.555 8.738 -0.183 18964
389 1 17 . 1 1 4 4 SER HA H 4 4.506 4.506 4.594 -0.088 18964
390 1 17 . 1 1 4 4 SER H H 4 7.895 7.895 7.758 0.138 18964
391 1 17 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.979 0.201 18964
392 1 17 . 1 1 5 5 HIS H H 5 8.208 8.208 7.672 0.536 18964
393 1 17 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.967 0.386 18964
394 1 17 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.767 0.200 18964
395 1 17 . 1 1 7 7 VAL H H 7 7.801 7.801 7.681 0.120 18964
396 1 17 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.521 -0.224 18964
397 1 17 . 1 1 8 8 CYS H H 8 8.039 8.039 8.243 -0.204 18964
398 1 17 . 1 1 9 9 SER HA H 9 4.371 4.371 4.352 0.019 18964
399 1 17 . 1 1 9 9 SER H H 9 8.554 8.554 8.465 0.089 18964
400 1 17 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.212 0.049 18964
401 1 17 . 1 1 10 10 ALA H H 10 7.636 7.636 7.686 -0.050 18964
402 1 17 . 1 1 11 11 MET HA H 11 4.597 4.597 4.233 0.364 18964
403 1 17 . 1 1 11 11 MET H H 11 7.628 7.628 7.777 -0.149 18964
404 1 17 . 1 1 12 12 SER HA H 12 5.066 5.066 4.884 0.182 18964
405 1 17 . 1 1 12 12 SER H H 12 7.577 7.577 7.986 -0.409 18964
406 1 17 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.798 -0.303 18964
407 1 17 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.030 0.156 18964
408 1 17 . 1 1 14 14 ILE H H 14 7.420 7.420 8.069 -0.649 18964
409 1 18 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.442 0.219 18964
410 1 18 . 1 1 2 2 CYS H H 2 9.010 9.010 8.584 0.426 18964
411 1 18 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.383 0.222 18964
412 1 18 . 1 1 3 3 CYS H H 3 8.555 8.555 8.617 -0.062 18964
413 1 18 . 1 1 4 4 SER HA H 4 4.506 4.506 4.661 -0.155 18964
414 1 18 . 1 1 4 4 SER H H 4 7.895 7.895 7.664 0.231 18964
415 1 18 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.001 0.179 18964
416 1 18 . 1 1 5 5 HIS H H 5 8.208 8.208 7.689 0.519 18964
417 1 18 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.980 0.373 18964
418 1 18 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.802 0.165 18964
419 1 18 . 1 1 7 7 VAL H H 7 7.801 7.801 7.723 0.078 18964
420 1 18 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.475 -0.178 18964
421 1 18 . 1 1 8 8 CYS H H 8 8.039 8.039 8.247 -0.208 18964
422 1 18 . 1 1 9 9 SER HA H 9 4.371 4.371 4.267 0.104 18964
423 1 18 . 1 1 9 9 SER H H 9 8.554 8.554 8.686 -0.132 18964
424 1 18 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.217 0.044 18964
425 1 18 . 1 1 10 10 ALA H H 10 7.636 7.636 7.361 0.275 18964
426 1 18 . 1 1 11 11 MET HA H 11 4.597 4.597 4.424 0.173 18964
427 1 18 . 1 1 11 11 MET H H 11 7.628 7.628 7.767 -0.139 18964
428 1 18 . 1 1 12 12 SER HA H 12 5.066 5.066 4.937 0.129 18964
429 1 18 . 1 1 12 12 SER H H 12 7.577 7.577 7.680 -0.103 18964
430 1 18 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.712 -0.217 18964
431 1 18 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.114 0.072 18964
432 1 18 . 1 1 14 14 ILE H H 14 7.420 7.420 8.123 -0.703 18964
433 1 19 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.601 0.060 18964
434 1 19 . 1 1 2 2 CYS H H 2 9.010 9.010 8.599 0.411 18964
435 1 19 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.693 -0.088 18964
436 1 19 . 1 1 3 3 CYS H H 3 8.555 8.555 8.493 0.062 18964
437 1 19 . 1 1 4 4 SER HA H 4 4.506 4.506 4.447 0.059 18964
438 1 19 . 1 1 4 4 SER H H 4 7.895 7.895 7.910 -0.015 18964
439 1 19 . 1 1 5 5 HIS HA H 5 5.180 5.180 5.023 0.157 18964
440 1 19 . 1 1 5 5 HIS H H 5 8.208 8.208 7.899 0.309 18964
441 1 19 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.010 0.343 18964
442 1 19 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.711 0.256 18964
443 1 19 . 1 1 7 7 VAL H H 7 7.801 7.801 7.508 0.293 18964
444 1 19 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.351 -0.054 18964
445 1 19 . 1 1 8 8 CYS H H 8 8.039 8.039 8.477 -0.438 18964
446 1 19 . 1 1 9 9 SER HA H 9 4.371 4.371 4.459 -0.088 18964
447 1 19 . 1 1 9 9 SER H H 9 8.554 8.554 8.774 -0.220 18964
448 1 19 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.237 0.024 18964
449 1 19 . 1 1 10 10 ALA H H 10 7.636 7.636 7.287 0.349 18964
450 1 19 . 1 1 11 11 MET HA H 11 4.597 4.597 4.429 0.168 18964
451 1 19 . 1 1 11 11 MET H H 11 7.628 7.628 7.716 -0.088 18964
452 1 19 . 1 1 12 12 SER HA H 12 5.066 5.066 4.931 0.135 18964
453 1 19 . 1 1 12 12 SER H H 12 7.577 7.577 8.267 -0.690 18964
454 1 19 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.880 -0.385 18964
455 1 19 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964
456 1 19 . 1 1 14 14 ILE H H 14 7.420 7.420 8.131 -0.711 18964
457 1 20 . 1 1 2 2 CYS HA H 2 4.661 4.661 4.553 0.108 18964
458 1 20 . 1 1 2 2 CYS H H 2 9.010 9.010 8.682 0.328 18964
459 1 20 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.435 0.170 18964
460 1 20 . 1 1 3 3 CYS H H 3 8.555 8.555 8.778 -0.223 18964
461 1 20 . 1 1 4 4 SER HA H 4 4.506 4.506 4.610 -0.104 18964
462 1 20 . 1 1 4 4 SER H H 4 7.895 7.895 7.632 0.263 18964
463 1 20 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.948 0.232 18964
464 1 20 . 1 1 5 5 HIS H H 5 8.208 8.208 7.817 0.391 18964
465 1 20 . 1 1 6 6 PRO HA H 6 4.353 4.353 3.993 0.360 18964
466 1 20 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.605 0.362 18964
467 1 20 . 1 1 7 7 VAL H H 7 7.801 7.801 7.532 0.269 18964
468 1 20 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.288 0.009 18964
469 1 20 . 1 1 8 8 CYS H H 8 8.039 8.039 8.116 -0.077 18964
470 1 20 . 1 1 9 9 SER HA H 9 4.371 4.371 4.205 0.166 18964
471 1 20 . 1 1 9 9 SER H H 9 8.554 8.554 8.365 0.189 18964
472 1 20 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.246 0.015 18964
473 1 20 . 1 1 10 10 ALA H H 10 7.636 7.636 8.035 -0.399 18964
474 1 20 . 1 1 11 11 MET HA H 11 4.597 4.597 4.197 0.400 18964
475 1 20 . 1 1 11 11 MET H H 11 7.628 7.628 7.462 0.166 18964
476 1 20 . 1 1 12 12 SER HA H 12 5.066 5.066 4.929 0.137 18964
477 1 20 . 1 1 12 12 SER H H 12 7.577 7.577 8.088 -0.511 18964
478 1 20 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.781 -0.286 18964
479 1 20 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.140 0.046 18964
480 1 20 . 1 1 14 14 ILE H H 14 7.420 7.420 8.223 -0.803 18964
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 18964
2 1 1 "Average Difference" HA 13 0.213 -0.123 0.181 18964
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18964
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18964
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18964
6 1 1 "Average Difference" HN 11 0.320 0.009 0.336 18964
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18964
8 1 2 "Average Difference" HA 13 0.225 -0.124 0.195 18964
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18964
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18964
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18964
12 1 2 "Average Difference" HN 11 0.380 0.037 0.396 18964
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18964
14 1 3 "Average Difference" HA 13 0.236 -0.086 0.229 18964
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18964
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18964
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18964
18 1 3 "Average Difference" HN 11 0.363 0.103 0.366 18964
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18964
20 1 4 "Average Difference" HA 13 0.245 -0.058 0.248 18964
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18964
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18964
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18964
24 1 4 "Average Difference" HN 11 0.408 0.141 0.401 18964
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18964
26 1 5 "Average Difference" HA 13 0.223 -0.084 0.215 18964
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18964
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18964
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18964
30 1 5 "Average Difference" HN 11 0.450 0.180 0.432 18964
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18964
32 1 6 "Average Difference" HA 13 0.192 -0.044 0.194 18964
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18964
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18964
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18964
36 1 6 "Average Difference" HN 11 0.465 0.096 0.477 18964
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18964
38 1 7 "Average Difference" HA 13 0.243 -0.050 0.247 18964
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18964
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18964
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18964
42 1 7 "Average Difference" HN 11 0.356 0.078 0.365 18964
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18964
44 1 8 "Average Difference" HA 13 0.242 -0.077 0.238 18964
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18964
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18964
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18964
48 1 8 "Average Difference" HN 11 0.392 0.031 0.410 18964
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18964
50 1 9 "Average Difference" HA 13 0.228 -0.038 0.235 18964
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18964
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18964
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18964
54 1 9 "Average Difference" HN 11 0.335 -0.026 0.350 18964
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18964
56 1 10 "Average Difference" HA 13 0.249 -0.097 0.239 18964
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18964
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18964
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18964
60 1 10 "Average Difference" HN 11 0.385 0.038 0.402 18964
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18964
62 1 11 "Average Difference" HA 13 0.235 -0.018 0.244 18964
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18964
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18964
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18964
66 1 11 "Average Difference" HN 11 0.414 0.040 0.432 18964
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18964
68 1 12 "Average Difference" HA 13 0.247 -0.108 0.231 18964
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18964
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18964
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18964
72 1 12 "Average Difference" HN 11 0.517 0.157 0.517 18964
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18964
74 1 13 "Average Difference" HA 13 0.242 -0.119 0.219 18964
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18964
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18964
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18964
78 1 13 "Average Difference" HN 11 0.359 0.103 0.361 18964
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18964
80 1 14 "Average Difference" HA 13 0.225 -0.140 0.183 18964
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18964
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18964
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18964
84 1 14 "Average Difference" HN 11 0.386 0.151 0.372 18964
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18964
86 1 15 "Average Difference" HA 13 0.266 -0.126 0.244 18964
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18964
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18964
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18964
90 1 15 "Average Difference" HN 11 0.325 0.165 0.294 18964
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18964
92 1 16 "Average Difference" HA 13 0.220 -0.149 0.168 18964
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18964
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18964
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18964
96 1 16 "Average Difference" HN 11 0.344 0.176 0.310 18964
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18964
98 1 17 "Average Difference" HA 13 0.232 -0.111 0.212 18964
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18964
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18964
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18964
102 1 17 "Average Difference" HN 11 0.309 0.053 0.319 18964
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18964
104 1 18 "Average Difference" HA 13 0.189 -0.087 0.174 18964
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18964
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18964
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18964
108 1 18 "Average Difference" HN 11 0.327 -0.017 0.342 18964
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18964
110 1 19 "Average Difference" HA 13 0.182 -0.049 0.182 18964
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18964
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18964
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18964
114 1 19 "Average Difference" HN 11 0.394 0.067 0.407 18964
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18964
116 1 20 "Average Difference" HA 13 0.225 -0.124 0.195 18964
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18964
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18964
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18964
120 1 20 "Average Difference" HN 11 0.380 0.037 0.396 18964
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 18964
_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 CYS HA H 2 4.661 4.661 4.599 0.062 18964
2 1 . 1 1 2 2 CYS H H 2 9.010 9.010 8.638 0.372 18964
3 1 . 1 1 3 3 CYS HA H 3 4.605 4.605 4.362 0.243 18964
4 1 . 1 1 3 3 CYS H H 3 8.555 8.555 8.688 -0.133 18964
5 1 . 1 1 4 4 SER HA H 4 4.506 4.506 4.538 -0.032 18964
6 1 . 1 1 4 4 SER H H 4 7.895 7.895 7.928 -0.033 18964
7 1 . 1 1 5 5 HIS HA H 5 5.180 5.180 4.944 0.236 18964
8 1 . 1 1 5 5 HIS H H 5 8.208 8.208 7.833 0.375 18964
9 1 . 1 1 6 6 PRO HA H 6 4.353 4.353 4.000 0.353 18964
10 1 . 1 1 7 7 VAL HA H 7 3.967 3.967 3.734 0.233 18964
11 1 . 1 1 7 7 VAL H H 7 7.801 7.801 7.768 0.033 18964
12 1 . 1 1 8 8 CYS HA H 8 4.297 4.297 4.421 -0.124 18964
13 1 . 1 1 8 8 CYS H H 8 8.039 8.039 8.247 -0.208 18964
14 1 . 1 1 9 9 SER HA H 9 4.371 4.371 4.339 0.032 18964
15 1 . 1 1 9 9 SER H H 9 8.554 8.554 8.527 0.027 18964
16 1 . 1 1 10 10 ALA HA H 10 4.261 4.261 4.261 0.000 18964
17 1 . 1 1 10 10 ALA H H 10 7.636 7.636 7.700 -0.064 18964
18 1 . 1 1 11 11 MET HA H 11 4.597 4.597 4.341 0.256 18964
19 1 . 1 1 11 11 MET H H 11 7.628 7.628 7.667 -0.040 18964
20 1 . 1 1 12 12 SER HA H 12 5.066 5.066 4.932 0.134 18964
21 1 . 1 1 12 12 SER H H 12 7.577 7.577 8.062 -0.485 18964
22 1 . 1 1 13 13 PRO HA H 13 4.495 4.495 4.812 -0.317 18964
23 1 . 1 1 14 14 ILE HA H 14 4.186 4.186 4.085 0.101 18964
24 1 . 1 1 14 14 ILE H H 14 7.420 7.420 8.155 -0.735 18964
stop_
save_