data_25335
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25335
_Entry.PDB_ID 2MWL
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 25335
_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 4.393 4.393 4.490 -0.097 25335
2 1 1 . 1 1 2 2 ALA H H 2 8.647 8.647 6.590 2.057 25335
3 1 1 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.558 -0.280 25335
4 1 1 . 1 1 3 3 ARG H H 3 8.508 8.508 8.591 -0.083 25335
5 1 1 . 1 1 4 4 GLY H H 4 8.473 8.473 8.564 -0.091 25335
6 1 1 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.867 -0.284 25335
7 1 1 . 1 1 5 5 TRP H H 5 8.035 8.035 9.018 -0.983 25335
8 1 1 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.465 -0.113 25335
9 1 1 . 1 1 6 6 LYS H H 6 8.112 8.112 7.899 0.213 25335
10 1 1 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.314 -0.027 25335
11 1 1 . 1 1 7 7 ARG H H 7 8.224 8.224 8.615 -0.391 25335
12 1 1 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.260 -0.146 25335
13 1 1 . 1 1 8 8 LYS H H 8 8.035 8.035 8.398 -0.363 25335
14 1 1 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.364 0.151 25335
15 1 1 . 1 1 9 9 CYS H H 9 8.208 8.208 8.034 0.174 25335
16 1 1 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.452 -0.203 25335
17 1 1 . 1 1 11 11 LEU H H 11 8.111 8.111 6.809 1.302 25335
18 1 1 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.230 0.369 25335
19 1 1 . 1 1 12 12 PHE H H 12 8.136 8.136 7.740 0.396 25335
20 1 1 . 1 1 13 13 GLY H H 13 8.295 8.295 8.098 0.197 25335
21 1 1 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.903 0.452 25335
22 1 1 . 1 1 14 14 LYS H H 14 8.181 8.181 7.565 0.616 25335
23 1 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.644 -0.172 25335
24 1 2 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.505 -0.112 25335
25 1 2 . 1 1 2 2 ALA H H 2 8.647 8.647 6.691 1.956 25335
26 1 2 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.575 -0.297 25335
27 1 2 . 1 1 3 3 ARG H H 3 8.508 8.508 8.665 -0.157 25335
28 1 2 . 1 1 4 4 GLY H H 4 8.473 8.473 8.663 -0.190 25335
29 1 2 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.292 25335
30 1 2 . 1 1 5 5 TRP H H 5 8.035 8.035 8.984 -0.949 25335
31 1 2 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.484 -0.132 25335
32 1 2 . 1 1 6 6 LYS H H 6 8.112 8.112 7.853 0.259 25335
33 1 2 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.384 -0.097 25335
34 1 2 . 1 1 7 7 ARG H H 7 8.224 8.224 8.536 -0.312 25335
35 1 2 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.266 -0.152 25335
36 1 2 . 1 1 8 8 LYS H H 8 8.035 8.035 8.504 -0.469 25335
37 1 2 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.377 0.138 25335
38 1 2 . 1 1 9 9 CYS H H 9 8.208 8.208 8.031 0.177 25335
39 1 2 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.441 -0.192 25335
40 1 2 . 1 1 11 11 LEU H H 11 8.111 8.111 6.972 1.139 25335
41 1 2 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.223 0.376 25335
42 1 2 . 1 1 12 12 PHE H H 12 8.136 8.136 7.726 0.410 25335
43 1 2 . 1 1 13 13 GLY H H 13 8.295 8.295 8.183 0.112 25335
44 1 2 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.911 0.444 25335
45 1 2 . 1 1 14 14 LYS H H 14 8.181 8.181 7.739 0.442 25335
46 1 2 . 1 1 15 15 GLY H H 15 8.472 8.472 8.716 -0.244 25335
47 1 3 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.466 -0.073 25335
48 1 3 . 1 1 2 2 ALA H H 2 8.647 8.647 6.672 1.975 25335
49 1 3 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.574 -0.296 25335
50 1 3 . 1 1 3 3 ARG H H 3 8.508 8.508 8.646 -0.138 25335
51 1 3 . 1 1 4 4 GLY H H 4 8.473 8.473 8.643 -0.170 25335
52 1 3 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.878 -0.295 25335
53 1 3 . 1 1 5 5 TRP H H 5 8.035 8.035 8.973 -0.938 25335
54 1 3 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.476 -0.124 25335
55 1 3 . 1 1 6 6 LYS H H 6 8.112 8.112 7.859 0.253 25335
56 1 3 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.387 -0.100 25335
57 1 3 . 1 1 7 7 ARG H H 7 8.224 8.224 8.516 -0.292 25335
58 1 3 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.254 -0.140 25335
59 1 3 . 1 1 8 8 LYS H H 8 8.035 8.035 8.459 -0.424 25335
60 1 3 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.397 0.118 25335
61 1 3 . 1 1 9 9 CYS H H 9 8.208 8.208 7.955 0.253 25335
62 1 3 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.444 -0.195 25335
63 1 3 . 1 1 11 11 LEU H H 11 8.111 8.111 6.806 1.305 25335
64 1 3 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.232 0.367 25335
65 1 3 . 1 1 12 12 PHE H H 12 8.136 8.136 7.747 0.389 25335
66 1 3 . 1 1 13 13 GLY H H 13 8.295 8.295 7.983 0.312 25335
67 1 3 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.897 0.458 25335
68 1 3 . 1 1 14 14 LYS H H 14 8.181 8.181 7.634 0.547 25335
69 1 3 . 1 1 15 15 GLY H H 15 8.472 8.472 8.444 0.028 25335
70 1 4 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.423 -0.030 25335
71 1 4 . 1 1 2 2 ALA H H 2 8.647 8.647 7.003 1.644 25335
72 1 4 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.511 -0.233 25335
73 1 4 . 1 1 3 3 ARG H H 3 8.508 8.508 8.645 -0.137 25335
74 1 4 . 1 1 4 4 GLY H H 4 8.473 8.473 8.658 -0.185 25335
75 1 4 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.292 25335
76 1 4 . 1 1 5 5 TRP H H 5 8.035 8.035 8.968 -0.933 25335
77 1 4 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.473 -0.121 25335
78 1 4 . 1 1 6 6 LYS H H 6 8.112 8.112 7.907 0.205 25335
79 1 4 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.271 0.016 25335
80 1 4 . 1 1 7 7 ARG H H 7 8.224 8.224 8.617 -0.393 25335
81 1 4 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.222 -0.108 25335
82 1 4 . 1 1 8 8 LYS H H 8 8.035 8.035 8.378 -0.343 25335
83 1 4 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.394 0.121 25335
84 1 4 . 1 1 9 9 CYS H H 9 8.208 8.208 7.916 0.292 25335
85 1 4 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.450 -0.201 25335
86 1 4 . 1 1 11 11 LEU H H 11 8.111 8.111 6.812 1.299 25335
87 1 4 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.250 0.349 25335
88 1 4 . 1 1 12 12 PHE H H 12 8.136 8.136 7.771 0.365 25335
89 1 4 . 1 1 13 13 GLY H H 13 8.295 8.295 8.076 0.219 25335
90 1 4 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.901 0.454 25335
91 1 4 . 1 1 14 14 LYS H H 14 8.181 8.181 7.516 0.665 25335
92 1 4 . 1 1 15 15 GLY H H 15 8.472 8.472 8.628 -0.156 25335
93 1 5 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.450 -0.057 25335
94 1 5 . 1 1 2 2 ALA H H 2 8.647 8.647 6.768 1.879 25335
95 1 5 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.552 -0.274 25335
96 1 5 . 1 1 3 3 ARG H H 3 8.508 8.508 8.628 -0.120 25335
97 1 5 . 1 1 4 4 GLY H H 4 8.473 8.473 8.660 -0.187 25335
98 1 5 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.877 -0.294 25335
99 1 5 . 1 1 5 5 TRP H H 5 8.035 8.035 8.959 -0.924 25335
100 1 5 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.471 -0.119 25335
101 1 5 . 1 1 6 6 LYS H H 6 8.112 8.112 7.893 0.219 25335
102 1 5 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.232 0.055 25335
103 1 5 . 1 1 7 7 ARG H H 7 8.224 8.224 8.542 -0.318 25335
104 1 5 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.231 -0.117 25335
105 1 5 . 1 1 8 8 LYS H H 8 8.035 8.035 8.352 -0.317 25335
106 1 5 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.401 0.114 25335
107 1 5 . 1 1 9 9 CYS H H 9 8.208 8.208 7.933 0.275 25335
108 1 5 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.450 -0.201 25335
109 1 5 . 1 1 11 11 LEU H H 11 8.111 8.111 6.812 1.299 25335
110 1 5 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.250 0.349 25335
111 1 5 . 1 1 12 12 PHE H H 12 8.136 8.136 7.770 0.366 25335
112 1 5 . 1 1 13 13 GLY H H 13 8.295 8.295 8.022 0.273 25335
113 1 5 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.939 0.416 25335
114 1 5 . 1 1 14 14 LYS H H 14 8.181 8.181 7.645 0.536 25335
115 1 5 . 1 1 15 15 GLY H H 15 8.472 8.472 8.446 0.026 25335
116 1 6 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.579 -0.186 25335
117 1 6 . 1 1 2 2 ALA H H 2 8.647 8.647 6.566 2.081 25335
118 1 6 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.569 -0.291 25335
119 1 6 . 1 1 3 3 ARG H H 3 8.508 8.508 8.581 -0.073 25335
120 1 6 . 1 1 4 4 GLY H H 4 8.473 8.473 8.568 -0.095 25335
121 1 6 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.864 -0.281 25335
122 1 6 . 1 1 5 5 TRP H H 5 8.035 8.035 8.986 -0.951 25335
123 1 6 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.379 -0.027 25335
124 1 6 . 1 1 6 6 LYS H H 6 8.112 8.112 7.976 0.136 25335
125 1 6 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.192 0.095 25335
126 1 6 . 1 1 7 7 ARG H H 7 8.224 8.224 8.586 -0.362 25335
127 1 6 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.239 -0.125 25335
128 1 6 . 1 1 8 8 LYS H H 8 8.035 8.035 8.361 -0.326 25335
129 1 6 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.283 0.232 25335
130 1 6 . 1 1 9 9 CYS H H 9 8.208 8.208 8.135 0.073 25335
131 1 6 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.455 -0.206 25335
132 1 6 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335
133 1 6 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.214 0.385 25335
134 1 6 . 1 1 12 12 PHE H H 12 8.136 8.136 7.698 0.438 25335
135 1 6 . 1 1 13 13 GLY H H 13 8.295 8.295 8.308 -0.013 25335
136 1 6 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.937 0.418 25335
137 1 6 . 1 1 14 14 LYS H H 14 8.181 8.181 7.651 0.530 25335
138 1 6 . 1 1 15 15 GLY H H 15 8.472 8.472 8.448 0.024 25335
139 1 7 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.500 -0.107 25335
140 1 7 . 1 1 2 2 ALA H H 2 8.647 8.647 6.740 1.907 25335
141 1 7 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.571 -0.293 25335
142 1 7 . 1 1 3 3 ARG H H 3 8.508 8.508 8.649 -0.141 25335
143 1 7 . 1 1 4 4 GLY H H 4 8.473 8.473 8.653 -0.180 25335
144 1 7 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.876 -0.293 25335
145 1 7 . 1 1 5 5 TRP H H 5 8.035 8.035 8.969 -0.934 25335
146 1 7 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.469 -0.117 25335
147 1 7 . 1 1 6 6 LYS H H 6 8.112 8.112 7.902 0.210 25335
148 1 7 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.269 0.018 25335
149 1 7 . 1 1 7 7 ARG H H 7 8.224 8.224 8.616 -0.392 25335
150 1 7 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.231 -0.117 25335
151 1 7 . 1 1 8 8 LYS H H 8 8.035 8.035 8.383 -0.348 25335
152 1 7 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.405 0.110 25335
153 1 7 . 1 1 9 9 CYS H H 9 8.208 8.208 7.927 0.281 25335
154 1 7 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.441 -0.192 25335
155 1 7 . 1 1 11 11 LEU H H 11 8.111 8.111 6.810 1.301 25335
156 1 7 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.239 0.360 25335
157 1 7 . 1 1 12 12 PHE H H 12 8.136 8.136 7.758 0.378 25335
158 1 7 . 1 1 13 13 GLY H H 13 8.295 8.295 8.079 0.216 25335
159 1 7 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.924 0.431 25335
160 1 7 . 1 1 14 14 LYS H H 14 8.181 8.181 7.673 0.508 25335
161 1 7 . 1 1 15 15 GLY H H 15 8.472 8.472 8.716 -0.244 25335
162 1 8 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.474 -0.081 25335
163 1 8 . 1 1 2 2 ALA H H 2 8.647 8.647 6.792 1.855 25335
164 1 8 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.515 -0.237 25335
165 1 8 . 1 1 3 3 ARG H H 3 8.508 8.508 8.430 0.078 25335
166 1 8 . 1 1 4 4 GLY H H 4 8.473 8.473 8.640 -0.167 25335
167 1 8 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.875 -0.291 25335
168 1 8 . 1 1 5 5 TRP H H 5 8.035 8.035 8.976 -0.941 25335
169 1 8 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.492 -0.140 25335
170 1 8 . 1 1 6 6 LYS H H 6 8.112 8.112 7.921 0.191 25335
171 1 8 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.348 -0.061 25335
172 1 8 . 1 1 7 7 ARG H H 7 8.224 8.224 8.571 -0.347 25335
173 1 8 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.235 -0.121 25335
174 1 8 . 1 1 8 8 LYS H H 8 8.035 8.035 8.365 -0.330 25335
175 1 8 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.386 0.129 25335
176 1 8 . 1 1 9 9 CYS H H 9 8.208 8.208 7.911 0.297 25335
177 1 8 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.421 -0.172 25335
178 1 8 . 1 1 11 11 LEU H H 11 8.111 8.111 6.952 1.159 25335
179 1 8 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.264 0.335 25335
180 1 8 . 1 1 12 12 PHE H H 12 8.136 8.136 7.792 0.344 25335
181 1 8 . 1 1 13 13 GLY H H 13 8.295 8.295 8.054 0.241 25335
182 1 8 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.941 0.414 25335
183 1 8 . 1 1 14 14 LYS H H 14 8.181 8.181 7.674 0.507 25335
184 1 8 . 1 1 15 15 GLY H H 15 8.472 8.472 8.675 -0.203 25335
185 1 9 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.610 -0.217 25335
186 1 9 . 1 1 2 2 ALA H H 2 8.647 8.647 6.962 1.685 25335
187 1 9 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.539 -0.261 25335
188 1 9 . 1 1 3 3 ARG H H 3 8.508 8.508 8.557 -0.049 25335
189 1 9 . 1 1 4 4 GLY H H 4 8.473 8.473 8.581 -0.108 25335
190 1 9 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.865 -0.282 25335
191 1 9 . 1 1 5 5 TRP H H 5 8.035 8.035 8.984 -0.949 25335
192 1 9 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.397 -0.045 25335
193 1 9 . 1 1 6 6 LYS H H 6 8.112 8.112 8.070 0.042 25335
194 1 9 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.237 0.050 25335
195 1 9 . 1 1 7 7 ARG H H 7 8.224 8.224 8.711 -0.487 25335
196 1 9 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.235 -0.121 25335
197 1 9 . 1 1 8 8 LYS H H 8 8.035 8.035 8.350 -0.315 25335
198 1 9 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.300 0.215 25335
199 1 9 . 1 1 9 9 CYS H H 9 8.208 8.208 8.147 0.061 25335
200 1 9 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.456 -0.207 25335
201 1 9 . 1 1 11 11 LEU H H 11 8.111 8.111 6.793 1.318 25335
202 1 9 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.219 0.380 25335
203 1 9 . 1 1 12 12 PHE H H 12 8.136 8.136 7.701 0.435 25335
204 1 9 . 1 1 13 13 GLY H H 13 8.295 8.295 8.129 0.166 25335
205 1 9 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.900 0.455 25335
206 1 9 . 1 1 14 14 LYS H H 14 8.181 8.181 7.541 0.640 25335
207 1 9 . 1 1 15 15 GLY H H 15 8.472 8.472 8.561 -0.089 25335
208 1 10 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.457 -0.064 25335
209 1 10 . 1 1 2 2 ALA H H 2 8.647 8.647 6.822 1.825 25335
210 1 10 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.511 -0.233 25335
211 1 10 . 1 1 3 3 ARG H H 3 8.508 8.508 8.675 -0.167 25335
212 1 10 . 1 1 4 4 GLY H H 4 8.473 8.473 8.552 -0.079 25335
213 1 10 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.862 -0.279 25335
214 1 10 . 1 1 5 5 TRP H H 5 8.035 8.035 8.980 -0.945 25335
215 1 10 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.414 -0.062 25335
216 1 10 . 1 1 6 6 LYS H H 6 8.112 8.112 8.058 0.054 25335
217 1 10 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.233 0.054 25335
218 1 10 . 1 1 7 7 ARG H H 7 8.224 8.224 8.685 -0.461 25335
219 1 10 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.241 -0.127 25335
220 1 10 . 1 1 8 8 LYS H H 8 8.035 8.035 8.362 -0.327 25335
221 1 10 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.297 0.218 25335
222 1 10 . 1 1 9 9 CYS H H 9 8.208 8.208 8.144 0.064 25335
223 1 10 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.448 -0.199 25335
224 1 10 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335
225 1 10 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.222 0.377 25335
226 1 10 . 1 1 12 12 PHE H H 12 8.136 8.136 7.718 0.418 25335
227 1 10 . 1 1 13 13 GLY H H 13 8.295 8.295 7.955 0.340 25335
228 1 10 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.941 0.414 25335
229 1 10 . 1 1 14 14 LYS H H 14 8.181 8.181 7.616 0.565 25335
230 1 10 . 1 1 15 15 GLY H H 15 8.472 8.472 8.624 -0.152 25335
231 1 11 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.490 -0.097 25335
232 1 11 . 1 1 2 2 ALA H H 2 8.647 8.647 6.482 2.165 25335
233 1 11 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.535 -0.257 25335
234 1 11 . 1 1 3 3 ARG H H 3 8.508 8.508 8.557 -0.049 25335
235 1 11 . 1 1 4 4 GLY H H 4 8.473 8.473 8.570 -0.097 25335
236 1 11 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.876 -0.293 25335
237 1 11 . 1 1 5 5 TRP H H 5 8.035 8.035 8.954 -0.919 25335
238 1 11 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.415 -0.063 25335
239 1 11 . 1 1 6 6 LYS H H 6 8.112 8.112 7.984 0.128 25335
240 1 11 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.218 0.069 25335
241 1 11 . 1 1 7 7 ARG H H 7 8.224 8.224 8.549 -0.325 25335
242 1 11 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.230 -0.116 25335
243 1 11 . 1 1 8 8 LYS H H 8 8.035 8.035 8.397 -0.362 25335
244 1 11 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.292 0.223 25335
245 1 11 . 1 1 9 9 CYS H H 9 8.208 8.208 8.074 0.134 25335
246 1 11 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.455 -0.205 25335
247 1 11 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335
248 1 11 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335
249 1 11 . 1 1 12 12 PHE H H 12 8.136 8.136 7.696 0.440 25335
250 1 11 . 1 1 13 13 GLY H H 13 8.295 8.295 8.028 0.267 25335
251 1 11 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.934 0.421 25335
252 1 11 . 1 1 14 14 LYS H H 14 8.181 8.181 7.640 0.541 25335
253 1 11 . 1 1 15 15 GLY H H 15 8.472 8.472 8.498 -0.026 25335
254 1 12 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.513 -0.120 25335
255 1 12 . 1 1 2 2 ALA H H 2 8.647 8.647 6.616 2.031 25335
256 1 12 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.532 -0.254 25335
257 1 12 . 1 1 3 3 ARG H H 3 8.508 8.508 8.541 -0.033 25335
258 1 12 . 1 1 4 4 GLY H H 4 8.473 8.473 8.580 -0.107 25335
259 1 12 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.856 -0.273 25335
260 1 12 . 1 1 5 5 TRP H H 5 8.035 8.035 9.013 -0.978 25335
261 1 12 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.424 -0.072 25335
262 1 12 . 1 1 6 6 LYS H H 6 8.112 8.112 7.942 0.170 25335
263 1 12 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.266 0.021 25335
264 1 12 . 1 1 7 7 ARG H H 7 8.224 8.224 8.588 -0.364 25335
265 1 12 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.212 -0.098 25335
266 1 12 . 1 1 8 8 LYS H H 8 8.035 8.035 8.394 -0.359 25335
267 1 12 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.367 0.148 25335
268 1 12 . 1 1 9 9 CYS H H 9 8.208 8.208 8.107 0.101 25335
269 1 12 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.454 -0.205 25335
270 1 12 . 1 1 11 11 LEU H H 11 8.111 8.111 6.793 1.318 25335
271 1 12 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335
272 1 12 . 1 1 12 12 PHE H H 12 8.136 8.136 7.698 0.438 25335
273 1 12 . 1 1 13 13 GLY H H 13 8.295 8.295 8.276 0.019 25335
274 1 12 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.918 0.437 25335
275 1 12 . 1 1 14 14 LYS H H 14 8.181 8.181 7.757 0.424 25335
276 1 12 . 1 1 15 15 GLY H H 15 8.472 8.472 8.494 -0.022 25335
277 1 13 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.507 -0.114 25335
278 1 13 . 1 1 2 2 ALA H H 2 8.647 8.647 6.627 2.020 25335
279 1 13 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.550 -0.272 25335
280 1 13 . 1 1 3 3 ARG H H 3 8.508 8.508 8.553 -0.045 25335
281 1 13 . 1 1 4 4 GLY H H 4 8.473 8.473 8.682 -0.209 25335
282 1 13 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.877 -0.294 25335
283 1 13 . 1 1 5 5 TRP H H 5 8.035 8.035 8.962 -0.927 25335
284 1 13 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.482 -0.130 25335
285 1 13 . 1 1 6 6 LYS H H 6 8.112 8.112 7.898 0.214 25335
286 1 13 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.284 0.003 25335
287 1 13 . 1 1 7 7 ARG H H 7 8.224 8.224 8.595 -0.371 25335
288 1 13 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.230 -0.116 25335
289 1 13 . 1 1 8 8 LYS H H 8 8.035 8.035 8.392 -0.357 25335
290 1 13 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.402 0.113 25335
291 1 13 . 1 1 9 9 CYS H H 9 8.208 8.208 7.934 0.274 25335
292 1 13 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.433 -0.184 25335
293 1 13 . 1 1 11 11 LEU H H 11 8.111 8.111 6.845 1.266 25335
294 1 13 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.247 0.352 25335
295 1 13 . 1 1 12 12 PHE H H 12 8.136 8.136 7.762 0.374 25335
296 1 13 . 1 1 13 13 GLY H H 13 8.295 8.295 7.901 0.394 25335
297 1 13 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.966 0.389 25335
298 1 13 . 1 1 14 14 LYS H H 14 8.181 8.181 7.694 0.487 25335
299 1 13 . 1 1 15 15 GLY H H 15 8.472 8.472 8.608 -0.136 25335
300 1 14 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.500 -0.107 25335
301 1 14 . 1 1 2 2 ALA H H 2 8.647 8.647 6.580 2.067 25335
302 1 14 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.529 -0.251 25335
303 1 14 . 1 1 3 3 ARG H H 3 8.508 8.508 8.678 -0.170 25335
304 1 14 . 1 1 4 4 GLY H H 4 8.473 8.473 8.562 -0.089 25335
305 1 14 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.866 -0.283 25335
306 1 14 . 1 1 5 5 TRP H H 5 8.035 8.035 8.968 -0.933 25335
307 1 14 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.415 -0.063 25335
308 1 14 . 1 1 6 6 LYS H H 6 8.112 8.112 7.967 0.145 25335
309 1 14 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.211 0.076 25335
310 1 14 . 1 1 7 7 ARG H H 7 8.224 8.224 8.495 -0.271 25335
311 1 14 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.199 -0.085 25335
312 1 14 . 1 1 8 8 LYS H H 8 8.035 8.035 8.367 -0.332 25335
313 1 14 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.298 0.217 25335
314 1 14 . 1 1 9 9 CYS H H 9 8.208 8.208 8.106 0.102 25335
315 1 14 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.453 -0.204 25335
316 1 14 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335
317 1 14 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.215 0.384 25335
318 1 14 . 1 1 12 12 PHE H H 12 8.136 8.136 7.703 0.433 25335
319 1 14 . 1 1 13 13 GLY H H 13 8.295 8.295 8.012 0.283 25335
320 1 14 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.969 0.386 25335
321 1 14 . 1 1 14 14 LYS H H 14 8.181 8.181 7.602 0.579 25335
322 1 14 . 1 1 15 15 GLY H H 15 8.472 8.472 8.545 -0.073 25335
323 1 15 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.475 -0.082 25335
324 1 15 . 1 1 2 2 ALA H H 2 8.647 8.647 6.655 1.992 25335
325 1 15 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.529 -0.251 25335
326 1 15 . 1 1 3 3 ARG H H 3 8.508 8.508 8.532 -0.024 25335
327 1 15 . 1 1 4 4 GLY H H 4 8.473 8.473 8.585 -0.112 25335
328 1 15 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.858 -0.275 25335
329 1 15 . 1 1 5 5 TRP H H 5 8.035 8.035 9.014 -0.979 25335
330 1 15 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.373 -0.021 25335
331 1 15 . 1 1 6 6 LYS H H 6 8.112 8.112 7.956 0.156 25335
332 1 15 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.209 0.078 25335
333 1 15 . 1 1 7 7 ARG H H 7 8.224 8.224 8.538 -0.314 25335
334 1 15 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.233 -0.119 25335
335 1 15 . 1 1 8 8 LYS H H 8 8.035 8.035 8.384 -0.349 25335
336 1 15 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.292 0.223 25335
337 1 15 . 1 1 9 9 CYS H H 9 8.208 8.208 8.070 0.138 25335
338 1 15 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.448 -0.199 25335
339 1 15 . 1 1 11 11 LEU H H 11 8.111 8.111 6.792 1.319 25335
340 1 15 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.225 0.374 25335
341 1 15 . 1 1 12 12 PHE H H 12 8.136 8.136 7.721 0.415 25335
342 1 15 . 1 1 13 13 GLY H H 13 8.295 8.295 7.967 0.328 25335
343 1 15 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.928 0.427 25335
344 1 15 . 1 1 14 14 LYS H H 14 8.181 8.181 7.592 0.589 25335
345 1 15 . 1 1 15 15 GLY H H 15 8.472 8.472 8.734 -0.262 25335
346 1 16 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.474 -0.081 25335
347 1 16 . 1 1 2 2 ALA H H 2 8.647 8.647 6.683 1.964 25335
348 1 16 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.550 -0.272 25335
349 1 16 . 1 1 3 3 ARG H H 3 8.508 8.508 8.598 -0.090 25335
350 1 16 . 1 1 4 4 GLY H H 4 8.473 8.473 8.637 -0.164 25335
351 1 16 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.874 -0.291 25335
352 1 16 . 1 1 5 5 TRP H H 5 8.035 8.035 8.965 -0.930 25335
353 1 16 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.476 -0.124 25335
354 1 16 . 1 1 6 6 LYS H H 6 8.112 8.112 7.924 0.188 25335
355 1 16 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.252 0.035 25335
356 1 16 . 1 1 7 7 ARG H H 7 8.224 8.224 8.613 -0.389 25335
357 1 16 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.245 -0.131 25335
358 1 16 . 1 1 8 8 LYS H H 8 8.035 8.035 8.386 -0.351 25335
359 1 16 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.390 0.125 25335
360 1 16 . 1 1 9 9 CYS H H 9 8.208 8.208 7.960 0.248 25335
361 1 16 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.437 -0.188 25335
362 1 16 . 1 1 11 11 LEU H H 11 8.111 8.111 6.882 1.229 25335
363 1 16 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.262 0.337 25335
364 1 16 . 1 1 12 12 PHE H H 12 8.136 8.136 7.739 0.397 25335
365 1 16 . 1 1 13 13 GLY H H 13 8.295 8.295 8.025 0.270 25335
366 1 16 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.890 0.465 25335
367 1 16 . 1 1 14 14 LYS H H 14 8.181 8.181 7.706 0.475 25335
368 1 16 . 1 1 15 15 GLY H H 15 8.472 8.472 8.437 0.035 25335
369 1 17 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.448 -0.055 25335
370 1 17 . 1 1 2 2 ALA H H 2 8.647 8.647 6.970 1.677 25335
371 1 17 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.513 -0.235 25335
372 1 17 . 1 1 3 3 ARG H H 3 8.508 8.508 8.679 -0.171 25335
373 1 17 . 1 1 4 4 GLY H H 4 8.473 8.473 8.682 -0.209 25335
374 1 17 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.909 -0.326 25335
375 1 17 . 1 1 5 5 TRP H H 5 8.035 8.035 8.825 -0.790 25335
376 1 17 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.496 -0.144 25335
377 1 17 . 1 1 6 6 LYS H H 6 8.112 8.112 7.943 0.169 25335
378 1 17 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.351 -0.064 25335
379 1 17 . 1 1 7 7 ARG H H 7 8.224 8.224 8.657 -0.433 25335
380 1 17 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.243 -0.129 25335
381 1 17 . 1 1 8 8 LYS H H 8 8.035 8.035 8.378 -0.343 25335
382 1 17 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.345 0.170 25335
383 1 17 . 1 1 9 9 CYS H H 9 8.208 8.208 7.889 0.319 25335
384 1 17 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.449 -0.200 25335
385 1 17 . 1 1 11 11 LEU H H 11 8.111 8.111 6.810 1.301 25335
386 1 17 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.263 0.336 25335
387 1 17 . 1 1 12 12 PHE H H 12 8.136 8.136 7.795 0.341 25335
388 1 17 . 1 1 13 13 GLY H H 13 8.295 8.295 8.059 0.236 25335
389 1 17 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.893 0.462 25335
390 1 17 . 1 1 14 14 LYS H H 14 8.181 8.181 7.510 0.671 25335
391 1 17 . 1 1 15 15 GLY H H 15 8.472 8.472 8.562 -0.090 25335
392 1 18 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.459 -0.066 25335
393 1 18 . 1 1 2 2 ALA H H 2 8.647 8.647 6.653 1.994 25335
394 1 18 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.569 -0.291 25335
395 1 18 . 1 1 3 3 ARG H H 3 8.508 8.508 8.637 -0.129 25335
396 1 18 . 1 1 4 4 GLY H H 4 8.473 8.473 8.641 -0.168 25335
397 1 18 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.861 -0.278 25335
398 1 18 . 1 1 5 5 TRP H H 5 8.035 8.035 8.986 -0.951 25335
399 1 18 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.394 -0.042 25335
400 1 18 . 1 1 6 6 LYS H H 6 8.112 8.112 7.982 0.130 25335
401 1 18 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.202 0.085 25335
402 1 18 . 1 1 7 7 ARG H H 7 8.224 8.224 8.497 -0.273 25335
403 1 18 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.199 -0.085 25335
404 1 18 . 1 1 8 8 LYS H H 8 8.035 8.035 8.366 -0.331 25335
405 1 18 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.297 0.218 25335
406 1 18 . 1 1 9 9 CYS H H 9 8.208 8.208 8.105 0.103 25335
407 1 18 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.453 -0.204 25335
408 1 18 . 1 1 11 11 LEU H H 11 8.111 8.111 6.790 1.321 25335
409 1 18 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.212 0.387 25335
410 1 18 . 1 1 12 12 PHE H H 12 8.136 8.136 7.692 0.444 25335
411 1 18 . 1 1 13 13 GLY H H 13 8.295 8.295 8.106 0.189 25335
412 1 18 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.927 0.428 25335
413 1 18 . 1 1 14 14 LYS H H 14 8.181 8.181 7.628 0.553 25335
414 1 18 . 1 1 15 15 GLY H H 15 8.472 8.472 8.537 -0.065 25335
415 1 19 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.534 -0.141 25335
416 1 19 . 1 1 2 2 ALA H H 2 8.647 8.647 6.496 2.151 25335
417 1 19 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.505 -0.227 25335
418 1 19 . 1 1 3 3 ARG H H 3 8.508 8.508 8.573 -0.065 25335
419 1 19 . 1 1 4 4 GLY H H 4 8.473 8.473 8.546 -0.073 25335
420 1 19 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.853 -0.270 25335
421 1 19 . 1 1 5 5 TRP H H 5 8.035 8.035 9.004 -0.969 25335
422 1 19 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.433 -0.081 25335
423 1 19 . 1 1 6 6 LYS H H 6 8.112 8.112 7.983 0.129 25335
424 1 19 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.317 -0.030 25335
425 1 19 . 1 1 7 7 ARG H H 7 8.224 8.224 8.554 -0.330 25335
426 1 19 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.222 -0.108 25335
427 1 19 . 1 1 8 8 LYS H H 8 8.035 8.035 8.330 -0.295 25335
428 1 19 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.338 0.177 25335
429 1 19 . 1 1 9 9 CYS H H 9 8.208 8.208 8.155 0.053 25335
430 1 19 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.447 -0.198 25335
431 1 19 . 1 1 11 11 LEU H H 11 8.111 8.111 6.788 1.323 25335
432 1 19 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.217 0.382 25335
433 1 19 . 1 1 12 12 PHE H H 12 8.136 8.136 7.714 0.422 25335
434 1 19 . 1 1 13 13 GLY H H 13 8.295 8.295 7.926 0.369 25335
435 1 19 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.928 0.427 25335
436 1 19 . 1 1 14 14 LYS H H 14 8.181 8.181 7.597 0.584 25335
437 1 19 . 1 1 15 15 GLY H H 15 8.472 8.472 8.721 -0.249 25335
438 1 20 . 1 1 2 2 ALA HA H 2 4.393 4.393 4.364 0.029 25335
439 1 20 . 1 1 2 2 ALA H H 2 8.647 8.647 6.836 1.811 25335
440 1 20 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.501 -0.223 25335
441 1 20 . 1 1 3 3 ARG H H 3 8.508 8.508 8.644 -0.136 25335
442 1 20 . 1 1 4 4 GLY H H 4 8.473 8.473 8.651 -0.178 25335
443 1 20 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.902 -0.319 25335
444 1 20 . 1 1 5 5 TRP H H 5 8.035 8.035 8.917 -0.882 25335
445 1 20 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.480 -0.128 25335
446 1 20 . 1 1 6 6 LYS H H 6 8.112 8.112 8.046 0.066 25335
447 1 20 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.154 0.133 25335
448 1 20 . 1 1 7 7 ARG H H 7 8.224 8.224 8.581 -0.357 25335
449 1 20 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.232 -0.118 25335
450 1 20 . 1 1 8 8 LYS H H 8 8.035 8.035 8.362 -0.327 25335
451 1 20 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.290 0.225 25335
452 1 20 . 1 1 9 9 CYS H H 9 8.208 8.208 8.112 0.096 25335
453 1 20 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.452 -0.203 25335
454 1 20 . 1 1 11 11 LEU H H 11 8.111 8.111 6.797 1.314 25335
455 1 20 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.209 0.390 25335
456 1 20 . 1 1 12 12 PHE H H 12 8.136 8.136 7.690 0.446 25335
457 1 20 . 1 1 13 13 GLY H H 13 8.295 8.295 8.196 0.099 25335
458 1 20 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.989 0.366 25335
459 1 20 . 1 1 14 14 LYS H H 14 8.181 8.181 7.510 0.671 25335
460 1 20 . 1 1 15 15 GLY H H 15 8.472 8.472 8.362 0.110 25335
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 25335
2 1 1 "Average Difference" HA 16 0.243 0.046 0.247 25335
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25335
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25335
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25335
6 1 1 "Average Difference" HN 13 0.778 -0.221 0.777 25335
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25335
8 1 2 "Average Difference" HA 16 0.221 0.063 0.219 25335
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25335
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25335
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25335
12 1 2 "Average Difference" HN 13 0.730 -0.167 0.740 25335
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25335
14 1 3 "Average Difference" HA 16 0.230 0.045 0.233 25335
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25335
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25335
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25335
18 1 3 "Average Difference" HN 13 0.758 -0.239 0.749 25335
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25335
20 1 4 "Average Difference" HA 16 0.248 0.028 0.254 25335
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25335
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25335
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25335
24 1 4 "Average Difference" HN 13 0.699 -0.195 0.699 25335
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25335
26 1 5 "Average Difference" HA 16 0.228 0.056 0.229 25335
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25335
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25335
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25335
30 1 5 "Average Difference" HN 13 0.731 -0.231 0.721 25335
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25335
32 1 6 "Average Difference" HA 16 0.228 0.026 0.234 25335
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25335
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25335
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25335
36 1 6 "Average Difference" HN 13 0.771 -0.214 0.771 25335
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25335
38 1 7 "Average Difference" HA 16 0.226 0.068 0.223 25335
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25335
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25335
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25335
42 1 7 "Average Difference" HN 13 0.742 -0.197 0.745 25335
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25335
44 1 8 "Average Difference" HA 16 0.217 0.065 0.214 25335
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25335
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25335
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25335
48 1 8 "Average Difference" HN 13 0.709 -0.206 0.706 25335
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25335
50 1 9 "Average Difference" HA 16 0.253 0.028 0.259 25335
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25335
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25335
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25335
54 1 9 "Average Difference" HN 13 0.705 -0.181 0.709 25335
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25335
56 1 10 "Average Difference" HA 16 0.209 0.039 0.213 25335
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25335
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25335
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25335
60 1 10 "Average Difference" HN 13 0.732 -0.189 0.736 25335
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25335
62 1 11 "Average Difference" HA 16 0.234 0.057 0.234 25335
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25335
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25335
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25335
66 1 11 "Average Difference" HN 13 0.790 -0.247 0.781 25335
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25335
68 1 12 "Average Difference" HA 16 0.216 0.025 0.221 25335
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25335
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25335
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25335
72 1 12 "Average Difference" HN 13 0.760 -0.203 0.762 25335
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25335
74 1 13 "Average Difference" HA 16 0.200 0.057 0.197 25335
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25335
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25335
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25335
78 1 13 "Average Difference" HN 13 0.761 -0.230 0.755 25335
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25335
80 1 14 "Average Difference" HA 16 0.226 0.059 0.225 25335
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25335
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25335
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25335
84 1 14 "Average Difference" HN 13 0.772 -0.236 0.765 25335
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25335
86 1 15 "Average Difference" HA 16 0.215 0.014 0.222 25335
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25335
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25335
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25335
90 1 15 "Average Difference" HN 13 0.767 -0.223 0.763 25335
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25335
92 1 16 "Average Difference" HA 16 0.222 0.017 0.228 25335
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25335
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25335
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25335
96 1 16 "Average Difference" HN 13 0.739 -0.222 0.734 25335
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25335
98 1 17 "Average Difference" HA 16 0.232 0.030 0.238 25335
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25335
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25335
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25335
102 1 17 "Average Difference" HN 13 0.694 -0.206 0.690 25335
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25335
104 1 18 "Average Difference" HA 16 0.230 0.035 0.235 25335
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25335
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25335
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25335
108 1 18 "Average Difference" HN 13 0.756 -0.217 0.754 25335
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25335
110 1 19 "Average Difference" HA 16 0.211 0.027 0.216 25335
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25335
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25335
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25335
114 1 19 "Average Difference" HN 13 0.797 -0.235 0.793 25335
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25335
116 1 20 "Average Difference" HA 16 0.249 0.074 0.246 25335
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25335
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25335
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25335
120 1 20 "Average Difference" HN 13 0.721 -0.210 0.718 25335
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 25335
_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 4.393 4.393 4.486 -0.093 25335
2 1 . 1 1 2 2 ALA H H 2 8.647 8.647 6.710 1.937 25335
3 1 . 1 1 3 3 ARG HA H 3 4.278 4.278 4.539 -0.261 25335
4 1 . 1 1 3 3 ARG H H 3 8.508 8.508 8.603 -0.095 25335
5 1 . 1 1 4 4 GLY H H 4 8.473 8.473 8.616 -0.143 25335
6 1 . 1 1 5 5 TRP HA H 5 4.583 4.583 4.872 -0.289 25335
7 1 . 1 1 5 5 TRP H H 5 8.035 8.035 8.970 -0.935 25335
8 1 . 1 1 6 6 LYS HA H 6 4.352 4.352 4.445 -0.093 25335
9 1 . 1 1 6 6 LYS H H 6 8.112 8.112 7.948 0.164 25335
10 1 . 1 1 7 7 ARG HA H 7 4.287 4.287 4.267 0.020 25335
11 1 . 1 1 7 7 ARG H H 7 8.224 8.224 8.583 -0.359 25335
12 1 . 1 1 8 8 LYS HA H 8 4.114 4.114 4.233 -0.119 25335
13 1 . 1 1 8 8 LYS H H 8 8.035 8.035 8.383 -0.348 25335
14 1 . 1 1 9 9 CYS HA H 9 4.515 4.515 4.346 0.169 25335
15 1 . 1 1 9 9 CYS H H 9 8.208 8.208 8.032 0.176 25335
16 1 . 1 1 11 11 LEU HA H 11 4.249 4.249 4.447 -0.198 25335
17 1 . 1 1 11 11 LEU H H 11 8.111 8.111 6.821 1.290 25335
18 1 . 1 1 12 12 PHE HA H 12 4.599 4.599 4.231 0.368 25335
19 1 . 1 1 12 12 PHE H H 12 8.136 8.136 7.732 0.404 25335
20 1 . 1 1 13 13 GLY H H 13 8.295 8.295 8.069 0.226 25335
21 1 . 1 1 14 14 LYS HA H 14 4.355 4.355 3.927 0.428 25335
22 1 . 1 1 14 14 LYS H H 14 8.181 8.181 7.625 0.556 25335
23 1 . 1 1 15 15 GLY H H 15 8.472 8.472 8.570 -0.098 25335
stop_
save_