data_25409
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25409
_Entry.PDB_ID 2MXH
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 25409
_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 ALA HA H 2 4.371 4.371 4.852 -0.481 25409
2 1 1 . 1 1 2 2 ALA H H 2 8.345 8.345 8.037 0.308 25409
3 1 1 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.709 -0.508 25409
4 1 1 . 1 1 3 3 ARG H H 3 7.844 7.844 8.461 -0.617 25409
5 1 1 . 1 1 4 4 GLY H H 4 8.022 8.022 8.875 -0.853 25409
6 1 1 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.061 -0.502 25409
7 1 1 . 1 1 5 5 TRP H H 5 7.627 7.627 7.786 -0.159 25409
8 1 1 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.499 0.626 25409
9 1 1 . 1 1 6 6 LYS H H 6 7.828 7.828 7.242 0.586 25409
10 1 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.109 0.057 25409
11 1 1 . 1 1 7 7 ARG H H 7 7.482 7.482 7.408 0.074 25409
12 1 1 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.224 0.077 25409
13 1 1 . 1 1 8 8 LYS H H 8 7.903 7.903 7.962 -0.059 25409
14 1 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.798 0.023 25409
15 1 1 . 1 1 9 9 CYS H H 9 7.993 7.993 8.213 -0.220 25409
16 1 1 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.492 -0.391 25409
17 1 1 . 1 1 11 11 LEU H H 11 7.566 7.566 7.699 -0.133 25409
18 1 1 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.659 -0.000 25409
19 1 1 . 1 1 12 12 PHE H H 12 7.574 7.574 7.920 -0.346 25409
20 1 1 . 1 1 13 13 GLY H H 13 8.073 8.073 7.720 0.353 25409
21 1 1 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.175 0.143 25409
22 1 1 . 1 1 14 14 LYS H H 14 7.928 7.928 7.535 0.393 25409
23 1 1 . 1 1 15 15 GLY H H 15 8.273 8.273 8.047 0.226 25409
24 1 2 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.921 -0.550 25409
25 1 2 . 1 1 2 2 ALA H H 2 8.345 8.345 8.724 -0.379 25409
26 1 2 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.007 0.194 25409
27 1 2 . 1 1 3 3 ARG H H 3 7.844 7.844 8.406 -0.562 25409
28 1 2 . 1 1 4 4 GLY H H 4 8.022 8.022 8.576 -0.554 25409
29 1 2 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.735 -0.176 25409
30 1 2 . 1 1 5 5 TRP H H 5 7.627 7.627 8.208 -0.581 25409
31 1 2 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.834 0.291 25409
32 1 2 . 1 1 6 6 LYS H H 6 7.828 7.828 6.959 0.869 25409
33 1 2 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.061 0.105 25409
34 1 2 . 1 1 7 7 ARG H H 7 7.482 7.482 7.623 -0.141 25409
35 1 2 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.265 0.036 25409
36 1 2 . 1 1 8 8 LYS H H 8 7.903 7.903 7.622 0.281 25409
37 1 2 . 1 1 9 9 CYS HA H 9 4.821 4.821 5.001 -0.180 25409
38 1 2 . 1 1 9 9 CYS H H 9 7.993 7.993 8.106 -0.113 25409
39 1 2 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.394 -0.293 25409
40 1 2 . 1 1 11 11 LEU H H 11 7.566 7.566 7.737 -0.171 25409
41 1 2 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.594 0.065 25409
42 1 2 . 1 1 12 12 PHE H H 12 7.574 7.574 8.071 -0.497 25409
43 1 2 . 1 1 13 13 GLY H H 13 8.073 8.073 8.184 -0.111 25409
44 1 2 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.528 -0.210 25409
45 1 2 . 1 1 14 14 LYS H H 14 7.928 7.928 7.943 -0.015 25409
46 1 2 . 1 1 15 15 GLY H H 15 8.273 8.273 8.214 0.059 25409
47 1 3 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.950 -0.579 25409
48 1 3 . 1 1 2 2 ALA H H 2 8.345 8.345 7.753 0.592 25409
49 1 3 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.349 -0.148 25409
50 1 3 . 1 1 3 3 ARG H H 3 7.844 7.844 8.316 -0.472 25409
51 1 3 . 1 1 4 4 GLY H H 4 8.022 8.022 8.537 -0.515 25409
52 1 3 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.080 -0.521 25409
53 1 3 . 1 1 5 5 TRP H H 5 7.627 7.627 8.035 -0.408 25409
54 1 3 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.844 0.281 25409
55 1 3 . 1 1 6 6 LYS H H 6 7.828 7.828 7.996 -0.168 25409
56 1 3 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.208 -0.042 25409
57 1 3 . 1 1 7 7 ARG H H 7 7.482 7.482 7.716 -0.234 25409
58 1 3 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.328 -0.027 25409
59 1 3 . 1 1 8 8 LYS H H 8 7.903 7.903 7.896 0.007 25409
60 1 3 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.641 0.180 25409
61 1 3 . 1 1 9 9 CYS H H 9 7.993 7.993 8.582 -0.589 25409
62 1 3 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.867 -0.766 25409
63 1 3 . 1 1 11 11 LEU H H 11 7.566 7.566 7.481 0.085 25409
64 1 3 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.701 -0.042 25409
65 1 3 . 1 1 12 12 PHE H H 12 7.574 7.574 7.904 -0.330 25409
66 1 3 . 1 1 13 13 GLY H H 13 8.073 8.073 8.246 -0.173 25409
67 1 3 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.502 -0.184 25409
68 1 3 . 1 1 14 14 LYS H H 14 7.928 7.928 8.126 -0.198 25409
69 1 3 . 1 1 15 15 GLY H H 15 8.273 8.273 8.341 -0.068 25409
70 1 4 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.658 -0.287 25409
71 1 4 . 1 1 2 2 ALA H H 2 8.345 8.345 8.069 0.276 25409
72 1 4 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.540 -0.339 25409
73 1 4 . 1 1 3 3 ARG H H 3 7.844 7.844 8.476 -0.632 25409
74 1 4 . 1 1 4 4 GLY H H 4 8.022 8.022 8.812 -0.790 25409
75 1 4 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.097 -0.538 25409
76 1 4 . 1 1 5 5 TRP H H 5 7.627 7.627 8.056 -0.429 25409
77 1 4 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.515 0.610 25409
78 1 4 . 1 1 6 6 LYS H H 6 7.828 7.828 7.220 0.608 25409
79 1 4 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409
80 1 4 . 1 1 7 7 ARG H H 7 7.482 7.482 7.399 0.083 25409
81 1 4 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.234 0.067 25409
82 1 4 . 1 1 8 8 LYS H H 8 7.903 7.903 7.991 -0.088 25409
83 1 4 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.858 -0.037 25409
84 1 4 . 1 1 9 9 CYS H H 9 7.993 7.993 8.282 -0.289 25409
85 1 4 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.488 -0.387 25409
86 1 4 . 1 1 11 11 LEU H H 11 7.566 7.566 7.626 -0.060 25409
87 1 4 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.706 -0.047 25409
88 1 4 . 1 1 12 12 PHE H H 12 7.574 7.574 7.985 -0.411 25409
89 1 4 . 1 1 13 13 GLY H H 13 8.073 8.073 7.750 0.323 25409
90 1 4 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.403 -0.085 25409
91 1 4 . 1 1 14 14 LYS H H 14 7.928 7.928 7.418 0.510 25409
92 1 4 . 1 1 15 15 GLY H H 15 8.273 8.273 7.444 0.829 25409
93 1 5 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.850 -0.479 25409
94 1 5 . 1 1 2 2 ALA H H 2 8.345 8.345 7.980 0.365 25409
95 1 5 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.760 -0.559 25409
96 1 5 . 1 1 3 3 ARG H H 3 7.844 7.844 8.476 -0.632 25409
97 1 5 . 1 1 4 4 GLY H H 4 8.022 8.022 9.000 -0.978 25409
98 1 5 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.932 -0.373 25409
99 1 5 . 1 1 5 5 TRP H H 5 7.627 7.627 8.301 -0.674 25409
100 1 5 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.622 0.503 25409
101 1 5 . 1 1 6 6 LYS H H 6 7.828 7.828 7.587 0.241 25409
102 1 5 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.067 0.099 25409
103 1 5 . 1 1 7 7 ARG H H 7 7.482 7.482 7.924 -0.442 25409
104 1 5 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.241 0.060 25409
105 1 5 . 1 1 8 8 LYS H H 8 7.903 7.903 8.164 -0.261 25409
106 1 5 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.965 -0.144 25409
107 1 5 . 1 1 9 9 CYS H H 9 7.993 7.993 8.116 -0.123 25409
108 1 5 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409
109 1 5 . 1 1 11 11 LEU H H 11 7.566 7.566 7.551 0.015 25409
110 1 5 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.710 -0.051 25409
111 1 5 . 1 1 12 12 PHE H H 12 7.574 7.574 7.850 -0.276 25409
112 1 5 . 1 1 13 13 GLY H H 13 8.073 8.073 7.504 0.569 25409
113 1 5 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.319 -0.001 25409
114 1 5 . 1 1 14 14 LYS H H 14 7.928 7.928 7.482 0.446 25409
115 1 5 . 1 1 15 15 GLY H H 15 8.273 8.273 7.727 0.546 25409
116 1 6 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.908 -0.537 25409
117 1 6 . 1 1 2 2 ALA H H 2 8.345 8.345 8.052 0.293 25409
118 1 6 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.650 -0.449 25409
119 1 6 . 1 1 3 3 ARG H H 3 7.844 7.844 8.327 -0.483 25409
120 1 6 . 1 1 4 4 GLY H H 4 8.022 8.022 8.864 -0.842 25409
121 1 6 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.054 -0.495 25409
122 1 6 . 1 1 5 5 TRP H H 5 7.627 7.627 8.279 -0.652 25409
123 1 6 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.573 0.552 25409
124 1 6 . 1 1 6 6 LYS H H 6 7.828 7.828 7.119 0.709 25409
125 1 6 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.104 0.062 25409
126 1 6 . 1 1 7 7 ARG H H 7 7.482 7.482 7.630 -0.148 25409
127 1 6 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.271 0.030 25409
128 1 6 . 1 1 8 8 LYS H H 8 7.903 7.903 7.972 -0.069 25409
129 1 6 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.940 -0.119 25409
130 1 6 . 1 1 9 9 CYS H H 9 7.993 7.993 8.605 -0.612 25409
131 1 6 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.337 -0.236 25409
132 1 6 . 1 1 11 11 LEU H H 11 7.566 7.566 7.586 -0.020 25409
133 1 6 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.590 0.069 25409
134 1 6 . 1 1 12 12 PHE H H 12 7.574 7.574 7.772 -0.198 25409
135 1 6 . 1 1 13 13 GLY H H 13 8.073 8.073 8.234 -0.161 25409
136 1 6 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.476 -0.158 25409
137 1 6 . 1 1 14 14 LYS H H 14 7.928 7.928 7.814 0.115 25409
138 1 6 . 1 1 15 15 GLY H H 15 8.273 8.273 8.290 -0.017 25409
139 1 7 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.828 -0.457 25409
140 1 7 . 1 1 2 2 ALA H H 2 8.345 8.345 8.162 0.183 25409
141 1 7 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.693 -0.492 25409
142 1 7 . 1 1 3 3 ARG H H 3 7.844 7.844 8.341 -0.497 25409
143 1 7 . 1 1 4 4 GLY H H 4 8.022 8.022 9.021 -0.999 25409
144 1 7 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.067 -0.508 25409
145 1 7 . 1 1 5 5 TRP H H 5 7.627 7.627 8.288 -0.661 25409
146 1 7 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.539 0.586 25409
147 1 7 . 1 1 6 6 LYS H H 6 7.828 7.828 7.043 0.785 25409
148 1 7 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.111 0.055 25409
149 1 7 . 1 1 7 7 ARG H H 7 7.482 7.482 7.491 -0.009 25409
150 1 7 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.257 0.044 25409
151 1 7 . 1 1 8 8 LYS H H 8 7.903 7.903 7.939 -0.036 25409
152 1 7 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.825 -0.004 25409
153 1 7 . 1 1 9 9 CYS H H 9 7.993 7.993 8.258 -0.265 25409
154 1 7 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.479 -0.378 25409
155 1 7 . 1 1 11 11 LEU H H 11 7.566 7.566 7.639 -0.073 25409
156 1 7 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.743 -0.084 25409
157 1 7 . 1 1 12 12 PHE H H 12 7.574 7.574 7.836 -0.262 25409
158 1 7 . 1 1 13 13 GLY H H 13 8.073 8.073 7.560 0.513 25409
159 1 7 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.341 -0.023 25409
160 1 7 . 1 1 14 14 LYS H H 14 7.928 7.928 7.423 0.505 25409
161 1 7 . 1 1 15 15 GLY H H 15 8.273 8.273 7.498 0.775 25409
162 1 8 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.534 -0.163 25409
163 1 8 . 1 1 2 2 ALA H H 2 8.345 8.345 8.567 -0.222 25409
164 1 8 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.388 -0.187 25409
165 1 8 . 1 1 3 3 ARG H H 3 7.844 7.844 7.851 -0.007 25409
166 1 8 . 1 1 4 4 GLY H H 4 8.022 8.022 8.818 -0.796 25409
167 1 8 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.109 -0.550 25409
168 1 8 . 1 1 5 5 TRP H H 5 7.627 7.627 8.216 -0.589 25409
169 1 8 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.825 0.300 25409
170 1 8 . 1 1 6 6 LYS H H 6 7.828 7.828 8.252 -0.424 25409
171 1 8 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.208 -0.042 25409
172 1 8 . 1 1 7 7 ARG H H 7 7.482 7.482 7.582 -0.100 25409
173 1 8 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.260 0.041 25409
174 1 8 . 1 1 8 8 LYS H H 8 7.903 7.903 7.969 -0.066 25409
175 1 8 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.554 0.267 25409
176 1 8 . 1 1 9 9 CYS H H 9 7.993 7.993 8.205 -0.212 25409
177 1 8 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.933 -0.832 25409
178 1 8 . 1 1 11 11 LEU H H 11 7.566 7.566 7.649 -0.083 25409
179 1 8 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.718 -0.059 25409
180 1 8 . 1 1 12 12 PHE H H 12 7.574 7.574 8.127 -0.553 25409
181 1 8 . 1 1 13 13 GLY H H 13 8.073 8.073 8.109 -0.036 25409
182 1 8 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.122 0.196 25409
183 1 8 . 1 1 14 14 LYS H H 14 7.928 7.928 7.874 0.054 25409
184 1 8 . 1 1 15 15 GLY H H 15 8.273 8.273 7.487 0.786 25409
185 1 9 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.767 -0.396 25409
186 1 9 . 1 1 2 2 ALA H H 2 8.345 8.345 8.402 -0.057 25409
187 1 9 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.710 -0.509 25409
188 1 9 . 1 1 3 3 ARG H H 3 7.844 7.844 8.450 -0.606 25409
189 1 9 . 1 1 4 4 GLY H H 4 8.022 8.022 9.027 -1.005 25409
190 1 9 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.077 -0.518 25409
191 1 9 . 1 1 5 5 TRP H H 5 7.627 7.627 8.170 -0.543 25409
192 1 9 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.498 0.627 25409
193 1 9 . 1 1 6 6 LYS H H 6 7.828 7.828 7.172 0.656 25409
194 1 9 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.080 0.086 25409
195 1 9 . 1 1 7 7 ARG H H 7 7.482 7.482 7.481 0.001 25409
196 1 9 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.296 0.005 25409
197 1 9 . 1 1 8 8 LYS H H 8 7.903 7.903 8.060 -0.157 25409
198 1 9 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.937 -0.116 25409
199 1 9 . 1 1 9 9 CYS H H 9 7.993 7.993 8.339 -0.346 25409
200 1 9 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.504 -0.403 25409
201 1 9 . 1 1 11 11 LEU H H 11 7.566 7.566 7.621 -0.055 25409
202 1 9 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.717 -0.058 25409
203 1 9 . 1 1 12 12 PHE H H 12 7.574 7.574 8.007 -0.433 25409
204 1 9 . 1 1 13 13 GLY H H 13 8.073 8.073 7.716 0.357 25409
205 1 9 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.327 -0.009 25409
206 1 9 . 1 1 14 14 LYS H H 14 7.928 7.928 7.560 0.368 25409
207 1 9 . 1 1 15 15 GLY H H 15 8.273 8.273 7.584 0.689 25409
208 1 10 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.686 -0.315 25409
209 1 10 . 1 1 2 2 ALA H H 2 8.345 8.345 8.343 0.002 25409
210 1 10 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.548 -0.347 25409
211 1 10 . 1 1 3 3 ARG H H 3 7.844 7.844 8.491 -0.647 25409
212 1 10 . 1 1 4 4 GLY H H 4 8.022 8.022 8.735 -0.713 25409
213 1 10 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.125 -0.566 25409
214 1 10 . 1 1 5 5 TRP H H 5 7.627 7.627 8.014 -0.387 25409
215 1 10 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.527 0.598 25409
216 1 10 . 1 1 6 6 LYS H H 6 7.828 7.828 7.352 0.476 25409
217 1 10 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.087 0.079 25409
218 1 10 . 1 1 7 7 ARG H H 7 7.482 7.482 7.454 0.028 25409
219 1 10 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.276 0.025 25409
220 1 10 . 1 1 8 8 LYS H H 8 7.903 7.903 8.103 -0.200 25409
221 1 10 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.931 -0.110 25409
222 1 10 . 1 1 9 9 CYS H H 9 7.993 7.993 8.277 -0.284 25409
223 1 10 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.504 -0.403 25409
224 1 10 . 1 1 11 11 LEU H H 11 7.566 7.566 7.664 -0.098 25409
225 1 10 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.625 0.034 25409
226 1 10 . 1 1 12 12 PHE H H 12 7.574 7.574 8.046 -0.472 25409
227 1 10 . 1 1 13 13 GLY H H 13 8.073 8.073 7.875 0.198 25409
228 1 10 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.209 0.109 25409
229 1 10 . 1 1 14 14 LYS H H 14 7.928 7.928 7.412 0.516 25409
230 1 10 . 1 1 15 15 GLY H H 15 8.273 8.273 7.165 1.108 25409
231 1 11 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.142 -0.771 25409
232 1 11 . 1 1 2 2 ALA H H 2 8.345 8.345 8.472 -0.127 25409
233 1 11 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.102 0.099 25409
234 1 11 . 1 1 3 3 ARG H H 3 7.844 7.844 7.772 0.072 25409
235 1 11 . 1 1 4 4 GLY H H 4 8.022 8.022 8.893 -0.871 25409
236 1 11 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.747 -0.188 25409
237 1 11 . 1 1 5 5 TRP H H 5 7.627 7.627 7.380 0.247 25409
238 1 11 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.007 0.118 25409
239 1 11 . 1 1 6 6 LYS H H 6 7.828 7.828 8.174 -0.346 25409
240 1 11 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.118 0.048 25409
241 1 11 . 1 1 7 7 ARG H H 7 7.482 7.482 7.685 -0.203 25409
242 1 11 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.351 -0.050 25409
243 1 11 . 1 1 8 8 LYS H H 8 7.903 7.903 7.837 0.066 25409
244 1 11 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.998 -0.177 25409
245 1 11 . 1 1 9 9 CYS H H 9 7.993 7.993 8.187 -0.194 25409
246 1 11 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.482 -0.381 25409
247 1 11 . 1 1 11 11 LEU H H 11 7.566 7.566 7.509 0.057 25409
248 1 11 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.608 0.051 25409
249 1 11 . 1 1 12 12 PHE H H 12 7.574 7.574 7.667 -0.093 25409
250 1 11 . 1 1 13 13 GLY H H 13 8.073 8.073 8.083 -0.010 25409
251 1 11 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.227 0.091 25409
252 1 11 . 1 1 14 14 LYS H H 14 7.928 7.928 7.434 0.494 25409
253 1 11 . 1 1 15 15 GLY H H 15 8.273 8.273 7.999 0.274 25409
254 1 12 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.796 -0.425 25409
255 1 12 . 1 1 2 2 ALA H H 2 8.345 8.345 8.453 -0.108 25409
256 1 12 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.490 -0.289 25409
257 1 12 . 1 1 3 3 ARG H H 3 7.844 7.844 8.049 -0.205 25409
258 1 12 . 1 1 4 4 GLY H H 4 8.022 8.022 8.720 -0.698 25409
259 1 12 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.993 -0.434 25409
260 1 12 . 1 1 5 5 TRP H H 5 7.627 7.627 8.137 -0.510 25409
261 1 12 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.606 0.519 25409
262 1 12 . 1 1 6 6 LYS H H 6 7.828 7.828 7.145 0.683 25409
263 1 12 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.018 0.148 25409
264 1 12 . 1 1 7 7 ARG H H 7 7.482 7.482 7.376 0.106 25409
265 1 12 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.214 0.087 25409
266 1 12 . 1 1 8 8 LYS H H 8 7.903 7.903 7.743 0.160 25409
267 1 12 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.943 -0.122 25409
268 1 12 . 1 1 9 9 CYS H H 9 7.993 7.993 8.144 -0.151 25409
269 1 12 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.443 -0.342 25409
270 1 12 . 1 1 11 11 LEU H H 11 7.566 7.566 7.785 -0.219 25409
271 1 12 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.591 0.068 25409
272 1 12 . 1 1 12 12 PHE H H 12 7.574 7.574 8.122 -0.548 25409
273 1 12 . 1 1 13 13 GLY H H 13 8.073 8.073 8.253 -0.180 25409
274 1 12 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.465 -0.147 25409
275 1 12 . 1 1 14 14 LYS H H 14 7.928 7.928 7.905 0.023 25409
276 1 12 . 1 1 15 15 GLY H H 15 8.273 8.273 8.197 0.076 25409
277 1 13 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.688 -0.317 25409
278 1 13 . 1 1 2 2 ALA H H 2 8.345 8.345 7.796 0.549 25409
279 1 13 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.646 -0.445 25409
280 1 13 . 1 1 3 3 ARG H H 3 7.844 7.844 8.391 -0.547 25409
281 1 13 . 1 1 4 4 GLY H H 4 8.022 8.022 8.635 -0.613 25409
282 1 13 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.143 -0.584 25409
283 1 13 . 1 1 5 5 TRP H H 5 7.627 7.627 8.161 -0.534 25409
284 1 13 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.501 0.624 25409
285 1 13 . 1 1 6 6 LYS H H 6 7.828 7.828 7.047 0.781 25409
286 1 13 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.082 0.084 25409
287 1 13 . 1 1 7 7 ARG H H 7 7.482 7.482 7.415 0.067 25409
288 1 13 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.320 -0.019 25409
289 1 13 . 1 1 8 8 LYS H H 8 7.903 7.903 8.114 -0.211 25409
290 1 13 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.910 -0.089 25409
291 1 13 . 1 1 9 9 CYS H H 9 7.993 7.993 8.516 -0.523 25409
292 1 13 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409
293 1 13 . 1 1 11 11 LEU H H 11 7.566 7.566 7.550 0.016 25409
294 1 13 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.694 -0.035 25409
295 1 13 . 1 1 12 12 PHE H H 12 7.574 7.574 8.019 -0.445 25409
296 1 13 . 1 1 13 13 GLY H H 13 8.073 8.073 8.323 -0.250 25409
297 1 13 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.155 0.163 25409
298 1 13 . 1 1 14 14 LYS H H 14 7.928 7.928 7.970 -0.042 25409
299 1 13 . 1 1 15 15 GLY H H 15 8.273 8.273 8.698 -0.425 25409
300 1 14 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.125 -0.754 25409
301 1 14 . 1 1 2 2 ALA H H 2 8.345 8.345 8.721 -0.376 25409
302 1 14 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.095 0.106 25409
303 1 14 . 1 1 3 3 ARG H H 3 7.844 7.844 7.776 0.068 25409
304 1 14 . 1 1 4 4 GLY H H 4 8.022 8.022 8.907 -0.885 25409
305 1 14 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.814 -0.255 25409
306 1 14 . 1 1 5 5 TRP H H 5 7.627 7.627 7.595 0.032 25409
307 1 14 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.968 0.157 25409
308 1 14 . 1 1 6 6 LYS H H 6 7.828 7.828 8.150 -0.322 25409
309 1 14 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.140 0.026 25409
310 1 14 . 1 1 7 7 ARG H H 7 7.482 7.482 7.720 -0.238 25409
311 1 14 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.380 -0.079 25409
312 1 14 . 1 1 8 8 LYS H H 8 7.903 7.903 7.939 -0.036 25409
313 1 14 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.849 -0.028 25409
314 1 14 . 1 1 9 9 CYS H H 9 7.993 7.993 8.211 -0.218 25409
315 1 14 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.311 -0.210 25409
316 1 14 . 1 1 11 11 LEU H H 11 7.566 7.566 7.334 0.232 25409
317 1 14 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.531 0.128 25409
318 1 14 . 1 1 12 12 PHE H H 12 7.574 7.574 7.531 0.043 25409
319 1 14 . 1 1 13 13 GLY H H 13 8.073 8.073 8.155 -0.082 25409
320 1 14 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.213 0.105 25409
321 1 14 . 1 1 14 14 LYS H H 14 7.928 7.928 7.715 0.213 25409
322 1 14 . 1 1 15 15 GLY H H 15 8.273 8.273 8.278 -0.005 25409
323 1 15 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.957 -0.586 25409
324 1 15 . 1 1 2 2 ALA H H 2 8.345 8.345 8.499 -0.154 25409
325 1 15 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.486 -0.285 25409
326 1 15 . 1 1 3 3 ARG H H 3 7.844 7.844 7.891 -0.047 25409
327 1 15 . 1 1 4 4 GLY H H 4 8.022 8.022 7.750 0.272 25409
328 1 15 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.573 -0.014 25409
329 1 15 . 1 1 5 5 TRP H H 5 7.627 7.627 7.922 -0.295 25409
330 1 15 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.099 0.026 25409
331 1 15 . 1 1 6 6 LYS H H 6 7.828 7.828 8.293 -0.465 25409
332 1 15 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.121 0.045 25409
333 1 15 . 1 1 7 7 ARG H H 7 7.482 7.482 7.632 -0.150 25409
334 1 15 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.314 -0.013 25409
335 1 15 . 1 1 8 8 LYS H H 8 7.903 7.903 8.197 -0.294 25409
336 1 15 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.757 0.064 25409
337 1 15 . 1 1 9 9 CYS H H 9 7.993 7.993 8.188 -0.195 25409
338 1 15 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.205 -0.104 25409
339 1 15 . 1 1 11 11 LEU H H 11 7.566 7.566 7.227 0.339 25409
340 1 15 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.610 0.049 25409
341 1 15 . 1 1 12 12 PHE H H 12 7.574 7.574 7.435 0.139 25409
342 1 15 . 1 1 13 13 GLY H H 13 8.073 8.073 7.328 0.745 25409
343 1 15 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.252 0.066 25409
344 1 15 . 1 1 14 14 LYS H H 14 7.928 7.928 8.059 -0.131 25409
345 1 15 . 1 1 15 15 GLY H H 15 8.273 8.273 7.970 0.303 25409
346 1 16 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.042 -0.671 25409
347 1 16 . 1 1 2 2 ALA H H 2 8.345 8.345 8.047 0.298 25409
348 1 16 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.423 -0.222 25409
349 1 16 . 1 1 3 3 ARG H H 3 7.844 7.844 8.363 -0.519 25409
350 1 16 . 1 1 4 4 GLY H H 4 8.022 8.022 8.993 -0.971 25409
351 1 16 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.580 -0.021 25409
352 1 16 . 1 1 5 5 TRP H H 5 7.627 7.627 8.150 -0.523 25409
353 1 16 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.245 -0.120 25409
354 1 16 . 1 1 6 6 LYS H H 6 7.828 7.828 8.207 -0.379 25409
355 1 16 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.232 -0.066 25409
356 1 16 . 1 1 7 7 ARG H H 7 7.482 7.482 7.664 -0.182 25409
357 1 16 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.208 0.093 25409
358 1 16 . 1 1 8 8 LYS H H 8 7.903 7.903 8.016 -0.113 25409
359 1 16 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.651 0.170 25409
360 1 16 . 1 1 9 9 CYS H H 9 7.993 7.993 7.566 0.427 25409
361 1 16 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.301 -0.200 25409
362 1 16 . 1 1 11 11 LEU H H 11 7.566 7.566 7.219 0.347 25409
363 1 16 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.563 0.096 25409
364 1 16 . 1 1 12 12 PHE H H 12 7.574 7.574 7.526 0.048 25409
365 1 16 . 1 1 13 13 GLY H H 13 8.073 8.073 7.470 0.603 25409
366 1 16 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.489 -0.171 25409
367 1 16 . 1 1 14 14 LYS H H 14 7.928 7.928 7.815 0.113 25409
368 1 16 . 1 1 15 15 GLY H H 15 8.273 8.273 7.871 0.402 25409
369 1 17 . 1 1 2 2 ALA HA H 2 4.371 4.371 5.055 -0.684 25409
370 1 17 . 1 1 2 2 ALA H H 2 8.345 8.345 8.345 -0.000 25409
371 1 17 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.420 -0.219 25409
372 1 17 . 1 1 3 3 ARG H H 3 7.844 7.844 8.500 -0.656 25409
373 1 17 . 1 1 4 4 GLY H H 4 8.022 8.022 9.008 -0.986 25409
374 1 17 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.517 0.042 25409
375 1 17 . 1 1 5 5 TRP H H 5 7.627 7.627 7.853 -0.226 25409
376 1 17 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.093 0.032 25409
377 1 17 . 1 1 6 6 LYS H H 6 7.828 7.828 8.277 -0.449 25409
378 1 17 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409
379 1 17 . 1 1 7 7 ARG H H 7 7.482 7.482 7.560 -0.078 25409
380 1 17 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.206 0.095 25409
381 1 17 . 1 1 8 8 LYS H H 8 7.903 7.903 8.149 -0.246 25409
382 1 17 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.626 0.195 25409
383 1 17 . 1 1 9 9 CYS H H 9 7.993 7.993 7.856 0.137 25409
384 1 17 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.215 -0.114 25409
385 1 17 . 1 1 11 11 LEU H H 11 7.566 7.566 7.296 0.270 25409
386 1 17 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.544 0.115 25409
387 1 17 . 1 1 12 12 PHE H H 12 7.574 7.574 7.564 0.010 25409
388 1 17 . 1 1 13 13 GLY H H 13 8.073 8.073 7.546 0.527 25409
389 1 17 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.430 -0.112 25409
390 1 17 . 1 1 14 14 LYS H H 14 7.928 7.928 7.849 0.079 25409
391 1 17 . 1 1 15 15 GLY H H 15 8.273 8.273 7.759 0.514 25409
392 1 18 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.824 -0.453 25409
393 1 18 . 1 1 2 2 ALA H H 2 8.345 8.345 8.504 -0.159 25409
394 1 18 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.514 -0.313 25409
395 1 18 . 1 1 3 3 ARG H H 3 7.844 7.844 8.102 -0.258 25409
396 1 18 . 1 1 4 4 GLY H H 4 8.022 8.022 8.680 -0.658 25409
397 1 18 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.093 -0.534 25409
398 1 18 . 1 1 5 5 TRP H H 5 7.627 7.627 7.952 -0.325 25409
399 1 18 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.494 0.631 25409
400 1 18 . 1 1 6 6 LYS H H 6 7.828 7.828 7.272 0.556 25409
401 1 18 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.072 0.094 25409
402 1 18 . 1 1 7 7 ARG H H 7 7.482 7.482 7.418 0.064 25409
403 1 18 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.324 -0.023 25409
404 1 18 . 1 1 8 8 LYS H H 8 7.903 7.903 8.099 -0.196 25409
405 1 18 . 1 1 9 9 CYS HA H 9 4.821 4.821 5.050 -0.229 25409
406 1 18 . 1 1 9 9 CYS H H 9 7.993 7.993 8.243 -0.250 25409
407 1 18 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.516 -0.415 25409
408 1 18 . 1 1 11 11 LEU H H 11 7.566 7.566 7.569 -0.003 25409
409 1 18 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.531 0.128 25409
410 1 18 . 1 1 12 12 PHE H H 12 7.574 7.574 7.896 -0.322 25409
411 1 18 . 1 1 13 13 GLY H H 13 8.073 8.073 8.129 -0.056 25409
412 1 18 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.517 -0.199 25409
413 1 18 . 1 1 14 14 LYS H H 14 7.928 7.928 7.753 0.175 25409
414 1 18 . 1 1 15 15 GLY H H 15 8.273 8.273 8.431 -0.158 25409
415 1 19 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.479 -0.108 25409
416 1 19 . 1 1 2 2 ALA H H 2 8.345 8.345 8.202 0.143 25409
417 1 19 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.461 -0.260 25409
418 1 19 . 1 1 3 3 ARG H H 3 7.844 7.844 7.874 -0.030 25409
419 1 19 . 1 1 4 4 GLY H H 4 8.022 8.022 8.878 -0.856 25409
420 1 19 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.217 -0.658 25409
421 1 19 . 1 1 5 5 TRP H H 5 7.627 7.627 8.079 -0.452 25409
422 1 19 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.863 0.262 25409
423 1 19 . 1 1 6 6 LYS H H 6 7.828 7.828 8.287 -0.459 25409
424 1 19 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.167 -0.001 25409
425 1 19 . 1 1 7 7 ARG H H 7 7.482 7.482 7.605 -0.123 25409
426 1 19 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.253 0.048 25409
427 1 19 . 1 1 8 8 LYS H H 8 7.903 7.903 8.128 -0.225 25409
428 1 19 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.582 0.239 25409
429 1 19 . 1 1 9 9 CYS H H 9 7.993 7.993 8.281 -0.288 25409
430 1 19 . 1 1 11 11 LEU HA H 11 4.101 4.101 5.013 -0.912 25409
431 1 19 . 1 1 11 11 LEU H H 11 7.566 7.566 7.565 0.001 25409
432 1 19 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.581 0.078 25409
433 1 19 . 1 1 12 12 PHE H H 12 7.574 7.574 7.935 -0.361 25409
434 1 19 . 1 1 13 13 GLY H H 13 8.073 8.073 8.557 -0.484 25409
435 1 19 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.039 0.279 25409
436 1 19 . 1 1 14 14 LYS H H 14 7.928 7.928 7.454 0.474 25409
437 1 19 . 1 1 15 15 GLY H H 15 8.273 8.273 7.710 0.563 25409
438 1 20 . 1 1 2 2 ALA HA H 2 4.371 4.371 4.583 -0.212 25409
439 1 20 . 1 1 2 2 ALA H H 2 8.345 8.345 8.641 -0.296 25409
440 1 20 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.478 -0.277 25409
441 1 20 . 1 1 3 3 ARG H H 3 7.844 7.844 7.890 -0.046 25409
442 1 20 . 1 1 4 4 GLY H H 4 8.022 8.022 8.871 -0.849 25409
443 1 20 . 1 1 5 5 TRP HA H 5 4.559 4.559 5.249 -0.690 25409
444 1 20 . 1 1 5 5 TRP H H 5 7.627 7.627 8.122 -0.495 25409
445 1 20 . 1 1 6 6 LYS HA H 6 4.125 4.125 4.000 0.125 25409
446 1 20 . 1 1 6 6 LYS H H 6 7.828 7.828 8.344 -0.516 25409
447 1 20 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.162 0.004 25409
448 1 20 . 1 1 7 7 ARG H H 7 7.482 7.482 7.624 -0.142 25409
449 1 20 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.252 0.049 25409
450 1 20 . 1 1 8 8 LYS H H 8 7.903 7.903 8.076 -0.173 25409
451 1 20 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.674 0.147 25409
452 1 20 . 1 1 9 9 CYS H H 9 7.993 7.993 8.293 -0.300 25409
453 1 20 . 1 1 11 11 LEU HA H 11 4.101 4.101 5.002 -0.901 25409
454 1 20 . 1 1 11 11 LEU H H 11 7.566 7.566 7.539 0.027 25409
455 1 20 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.602 0.057 25409
456 1 20 . 1 1 12 12 PHE H H 12 7.574 7.574 8.016 -0.442 25409
457 1 20 . 1 1 13 13 GLY H H 13 8.073 8.073 8.718 -0.645 25409
458 1 20 . 1 1 14 14 LYS HA H 14 4.318 4.318 3.997 0.321 25409
459 1 20 . 1 1 14 14 LYS H H 14 7.928 7.928 7.390 0.538 25409
460 1 20 . 1 1 15 15 GLY H H 15 8.273 8.273 7.621 0.652 25409
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 25409
2 1 1 "Average Difference" HA 16 0.366 -0.059 0.373 25409
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25409
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25409
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25409
6 1 1 "Average Difference" HN 13 0.402 0.034 0.416 25409
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25409
8 1 2 "Average Difference" HA 16 0.267 -0.034 0.274 25409
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25409
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25409
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25409
12 1 2 "Average Difference" HN 13 0.417 0.147 0.406 25409
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25409
14 1 3 "Average Difference" HA 16 0.322 0.097 0.317 25409
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25409
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25409
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25409
18 1 3 "Average Difference" HN 13 0.354 0.190 0.310 25409
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25409
20 1 4 "Average Difference" HA 16 0.366 -0.066 0.372 25409
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25409
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25409
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25409
24 1 4 "Average Difference" HN 13 0.478 0.005 0.498 25409
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25409
26 1 5 "Average Difference" HA 16 0.323 -0.021 0.333 25409
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25409
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25409
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25409
30 1 5 "Average Difference" HN 13 0.494 0.092 0.505 25409
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25409
32 1 6 "Average Difference" HA 16 0.308 0.000 0.318 25409
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25409
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25409
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25409
36 1 6 "Average Difference" HN 13 0.433 0.160 0.418 25409
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25409
38 1 7 "Average Difference" HA 16 0.422 -0.079 0.428 25409
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25409
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25409
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25409
42 1 7 "Average Difference" HN 13 0.526 0.003 0.547 25409
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25409
44 1 8 "Average Difference" HA 16 0.413 -0.093 0.416 25409
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25409
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25409
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25409
48 1 8 "Average Difference" HN 13 0.412 0.173 0.389 25409
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25409
50 1 9 "Average Difference" HA 16 0.402 -0.060 0.411 25409
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25409
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25409
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25409
54 1 9 "Average Difference" HN 13 0.495 0.087 0.507 25409
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25409
56 1 10 "Average Difference" HA 16 0.356 -0.063 0.361 25409
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25409
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25409
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25409
60 1 10 "Average Difference" HN 13 0.495 0.036 0.514 25409
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25409
62 1 11 "Average Difference" HA 16 0.312 0.067 0.315 25409
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25409
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25409
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25409
66 1 11 "Average Difference" HN 13 0.325 0.049 0.335 25409
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25409
68 1 12 "Average Difference" HA 16 0.286 -0.028 0.294 25409
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25409
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25409
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25409
72 1 12 "Average Difference" HN 13 0.363 0.121 0.357 25409
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25409
74 1 13 "Average Difference" HA 16 0.321 -0.003 0.332 25409
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25409
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25409
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25409
78 1 13 "Average Difference" HN 13 0.450 0.168 0.435 25409
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25409
80 1 14 "Average Difference" HA 16 0.302 0.056 0.307 25409
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25409
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25409
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25409
84 1 14 "Average Difference" HN 13 0.310 0.121 0.297 25409
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25409
86 1 15 "Average Difference" HA 16 0.190 0.052 0.188 25409
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25409
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25409
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25409
90 1 15 "Average Difference" HN 13 0.322 -0.005 0.335 25409
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25409
92 1 16 "Average Difference" HA 16 0.221 0.103 0.202 25409
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25409
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25409
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25409
96 1 16 "Average Difference" HN 13 0.448 0.034 0.465 25409
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25409
98 1 17 "Average Difference" HA 16 0.209 0.050 0.210 25409
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25409
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25409
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25409
102 1 17 "Average Difference" HN 13 0.426 0.085 0.435 25409
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25409
104 1 18 "Average Difference" HA 16 0.310 0.053 0.315 25409
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25409
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25409
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25409
108 1 18 "Average Difference" HN 13 0.305 0.122 0.291 25409
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25409
110 1 19 "Average Difference" HA 16 0.450 -0.080 0.457 25409
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25409
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25409
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25409
114 1 19 "Average Difference" HN 13 0.414 0.161 0.396 25409
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25409
116 1 20 "Average Difference" HA 16 0.431 -0.034 0.444 25409
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25409
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25409
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25409
120 1 20 "Average Difference" HN 13 0.463 0.207 0.431 25409
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 25409
_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 ALA HA H 2 4.371 4.371 4.832 -0.461 25409
2 1 . 1 1 2 2 ALA H H 2 8.345 8.345 8.288 0.057 25409
3 1 . 1 1 3 3 ARG HA H 3 4.201 4.201 4.473 -0.272 25409
4 1 . 1 1 3 3 ARG H H 3 7.844 7.844 8.210 -0.366 25409
5 1 . 1 1 4 4 GLY H H 4 8.022 8.022 8.780 -0.758 25409
6 1 . 1 1 5 5 TRP HA H 5 4.559 4.559 4.963 -0.404 25409
7 1 . 1 1 5 5 TRP H H 5 7.627 7.627 8.035 -0.408 25409
8 1 . 1 1 6 6 LYS HA H 6 4.125 4.125 3.758 0.367 25409
9 1 . 1 1 6 6 LYS H H 6 7.828 7.828 7.657 0.171 25409
10 1 . 1 1 7 7 ARG HA H 7 4.166 4.166 4.119 0.047 25409
11 1 . 1 1 7 7 ARG H H 7 7.482 7.482 7.570 -0.088 25409
12 1 . 1 1 8 8 LYS HA H 8 4.301 4.301 4.274 0.027 25409
13 1 . 1 1 8 8 LYS H H 8 7.903 7.903 7.999 -0.096 25409
14 1 . 1 1 9 9 CYS HA H 9 4.821 4.821 4.824 -0.003 25409
15 1 . 1 1 9 9 CYS H H 9 7.993 7.993 8.223 -0.230 25409
16 1 . 1 1 11 11 LEU HA H 11 4.101 4.101 4.527 -0.426 25409
17 1 . 1 1 11 11 LEU H H 11 7.566 7.566 7.542 0.024 25409
18 1 . 1 1 12 12 PHE HA H 12 4.659 4.659 4.631 0.028 25409
19 1 . 1 1 12 12 PHE H H 12 7.574 7.574 7.861 -0.287 25409
20 1 . 1 1 13 13 GLY H H 13 8.073 8.073 7.973 0.100 25409
21 1 . 1 1 14 14 LYS HA H 14 4.318 4.318 4.309 0.009 25409
22 1 . 1 1 14 14 LYS H H 14 7.928 7.928 7.697 0.232 25409
23 1 . 1 1 15 15 GLY H H 15 8.273 8.273 7.917 0.356 25409
stop_
save_