data_25749
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25749
_Entry.PDB_ID 2N63
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 25749
_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 3 3 ALA HA H 3 4.276 4.276 4.092 0.184 25749
2 1 1 . 1 1 3 3 ALA H H 3 8.343 8.343 8.698 -0.355 25749
3 1 1 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.088 0.175 25749
4 1 1 . 1 1 4 4 ARG H H 4 8.243 8.243 8.351 -0.108 25749
5 1 1 . 1 1 5 5 GLY H H 5 8.369 8.369 7.883 0.486 25749
6 1 1 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.687 -0.069 25749
7 1 1 . 1 1 6 6 TRP H H 6 7.941 7.941 7.579 0.362 25749
8 1 1 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.945 0.215 25749
9 1 1 . 1 1 7 7 LYS H H 7 8.024 8.024 7.835 0.189 25749
10 1 1 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.402 -0.273 25749
11 1 1 . 1 1 8 8 ARG H H 8 8.072 8.072 7.706 0.366 25749
12 1 1 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.475 -0.207 25749
13 1 1 . 1 1 9 9 LYS H H 9 8.406 8.406 8.329 0.077 25749
14 1 1 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.559 0.224 25749
15 1 1 . 1 1 10 10 CYS H H 10 8.344 8.344 8.277 0.067 25749
16 1 1 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.540 -0.293 25749
17 1 1 . 1 1 12 12 LEU H H 12 8.171 8.171 7.698 0.473 25749
18 1 1 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.996 -0.386 25749
19 1 1 . 1 1 13 13 PHE H H 13 8.170 8.170 8.510 -0.340 25749
20 1 1 . 1 1 14 14 GLY H H 14 8.301 8.301 8.415 -0.114 25749
21 1 1 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.431 -0.056 25749
22 1 1 . 1 1 15 15 LYS H H 15 8.187 8.187 7.868 0.319 25749
23 1 1 . 1 1 16 16 GLY H H 16 8.487 8.487 8.473 0.014 25749
24 1 2 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.125 0.151 25749
25 1 2 . 1 1 3 3 ALA H H 3 8.343 8.343 8.730 -0.388 25749
26 1 2 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.278 -0.015 25749
27 1 2 . 1 1 4 4 ARG H H 4 8.243 8.243 8.422 -0.179 25749
28 1 2 . 1 1 5 5 GLY H H 5 8.369 8.369 7.773 0.596 25749
29 1 2 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.770 -0.152 25749
30 1 2 . 1 1 6 6 TRP H H 6 7.941 7.941 7.980 -0.039 25749
31 1 2 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.902 0.258 25749
32 1 2 . 1 1 7 7 LYS H H 7 8.024 8.024 7.372 0.652 25749
33 1 2 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.373 -0.244 25749
34 1 2 . 1 1 8 8 ARG H H 8 8.072 8.072 7.560 0.512 25749
35 1 2 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.505 -0.237 25749
36 1 2 . 1 1 9 9 LYS H H 9 8.406 8.406 8.391 0.015 25749
37 1 2 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.629 0.154 25749
38 1 2 . 1 1 10 10 CYS H H 10 8.344 8.344 8.178 0.166 25749
39 1 2 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.450 -0.203 25749
40 1 2 . 1 1 12 12 LEU H H 12 8.171 8.171 7.526 0.645 25749
41 1 2 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.989 -0.379 25749
42 1 2 . 1 1 13 13 PHE H H 13 8.170 8.170 8.475 -0.305 25749
43 1 2 . 1 1 14 14 GLY H H 14 8.301 8.301 8.429 -0.128 25749
44 1 2 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.431 -0.056 25749
45 1 2 . 1 1 15 15 LYS H H 15 8.187 8.187 7.870 0.317 25749
46 1 2 . 1 1 16 16 GLY H H 16 8.487 8.487 8.471 0.016 25749
47 1 3 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.128 0.148 25749
48 1 3 . 1 1 3 3 ALA H H 3 8.343 8.343 8.752 -0.409 25749
49 1 3 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.417 -0.154 25749
50 1 3 . 1 1 4 4 ARG H H 4 8.243 8.243 8.280 -0.037 25749
51 1 3 . 1 1 5 5 GLY H H 5 8.369 8.369 8.120 0.249 25749
52 1 3 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.817 -0.199 25749
53 1 3 . 1 1 6 6 TRP H H 6 7.941 7.941 7.568 0.373 25749
54 1 3 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.908 0.252 25749
55 1 3 . 1 1 7 7 LYS H H 7 8.024 8.024 7.536 0.488 25749
56 1 3 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.448 -0.319 25749
57 1 3 . 1 1 8 8 ARG H H 8 8.072 8.072 7.607 0.465 25749
58 1 3 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.557 -0.289 25749
59 1 3 . 1 1 9 9 LYS H H 9 8.406 8.406 8.313 0.093 25749
60 1 3 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.380 0.403 25749
61 1 3 . 1 1 10 10 CYS H H 10 8.344 8.344 8.127 0.217 25749
62 1 3 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.588 -0.341 25749
63 1 3 . 1 1 12 12 LEU H H 12 8.171 8.171 7.971 0.200 25749
64 1 3 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.002 -0.392 25749
65 1 3 . 1 1 13 13 PHE H H 13 8.170 8.170 8.469 -0.299 25749
66 1 3 . 1 1 14 14 GLY H H 14 8.301 8.301 8.446 -0.145 25749
67 1 3 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.445 -0.070 25749
68 1 3 . 1 1 15 15 LYS H H 15 8.187 8.187 7.838 0.349 25749
69 1 3 . 1 1 16 16 GLY H H 16 8.487 8.487 8.469 0.018 25749
70 1 4 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.161 0.115 25749
71 1 4 . 1 1 3 3 ALA H H 3 8.343 8.343 8.637 -0.294 25749
72 1 4 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.107 0.156 25749
73 1 4 . 1 1 4 4 ARG H H 4 8.243 8.243 8.445 -0.202 25749
74 1 4 . 1 1 5 5 GLY H H 5 8.369 8.369 7.949 0.420 25749
75 1 4 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.686 -0.068 25749
76 1 4 . 1 1 6 6 TRP H H 6 7.941 7.941 7.530 0.411 25749
77 1 4 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.971 0.189 25749
78 1 4 . 1 1 7 7 LYS H H 7 8.024 8.024 7.848 0.176 25749
79 1 4 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.426 -0.297 25749
80 1 4 . 1 1 8 8 ARG H H 8 8.072 8.072 7.633 0.439 25749
81 1 4 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.531 -0.263 25749
82 1 4 . 1 1 9 9 LYS H H 9 8.406 8.406 8.280 0.126 25749
83 1 4 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.562 0.221 25749
84 1 4 . 1 1 10 10 CYS H H 10 8.344 8.344 8.180 0.164 25749
85 1 4 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.496 -0.249 25749
86 1 4 . 1 1 12 12 LEU H H 12 8.171 8.171 7.579 0.592 25749
87 1 4 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.988 -0.378 25749
88 1 4 . 1 1 13 13 PHE H H 13 8.170 8.170 8.464 -0.294 25749
89 1 4 . 1 1 14 14 GLY H H 14 8.301 8.301 8.557 -0.256 25749
90 1 4 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.282 0.093 25749
91 1 4 . 1 1 15 15 LYS H H 15 8.187 8.187 8.074 0.113 25749
92 1 4 . 1 1 16 16 GLY H H 16 8.487 8.487 8.301 0.186 25749
93 1 5 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.100 0.176 25749
94 1 5 . 1 1 3 3 ALA H H 3 8.343 8.343 8.563 -0.220 25749
95 1 5 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.119 0.144 25749
96 1 5 . 1 1 4 4 ARG H H 4 8.243 8.243 8.561 -0.318 25749
97 1 5 . 1 1 5 5 GLY H H 5 8.369 8.369 8.207 0.162 25749
98 1 5 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.709 -0.091 25749
99 1 5 . 1 1 6 6 TRP H H 6 7.941 7.941 7.780 0.161 25749
100 1 5 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.909 0.251 25749
101 1 5 . 1 1 7 7 LYS H H 7 8.024 8.024 7.775 0.249 25749
102 1 5 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.110 0.019 25749
103 1 5 . 1 1 8 8 ARG H H 8 8.072 8.072 8.397 -0.325 25749
104 1 5 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.196 0.072 25749
105 1 5 . 1 1 9 9 LYS H H 9 8.406 8.406 7.769 0.637 25749
106 1 5 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.628 0.155 25749
107 1 5 . 1 1 10 10 CYS H H 10 8.344 8.344 8.337 0.007 25749
108 1 5 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.540 -0.293 25749
109 1 5 . 1 1 12 12 LEU H H 12 8.171 8.171 8.122 0.049 25749
110 1 5 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.091 -0.481 25749
111 1 5 . 1 1 13 13 PHE H H 13 8.170 8.170 8.282 -0.112 25749
112 1 5 . 1 1 14 14 GLY H H 14 8.301 8.301 8.505 -0.204 25749
113 1 5 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.673 -0.298 25749
114 1 5 . 1 1 15 15 LYS H H 15 8.187 8.187 8.325 -0.138 25749
115 1 5 . 1 1 16 16 GLY H H 16 8.487 8.487 8.340 0.147 25749
116 1 6 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.059 0.217 25749
117 1 6 . 1 1 3 3 ALA H H 3 8.343 8.343 8.669 -0.326 25749
118 1 6 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.012 0.251 25749
119 1 6 . 1 1 4 4 ARG H H 4 8.243 8.243 8.370 -0.127 25749
120 1 6 . 1 1 5 5 GLY H H 5 8.369 8.369 8.036 0.333 25749
121 1 6 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.829 -0.211 25749
122 1 6 . 1 1 6 6 TRP H H 6 7.941 7.941 7.591 0.350 25749
123 1 6 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.144 0.016 25749
124 1 6 . 1 1 7 7 LYS H H 7 8.024 8.024 7.562 0.462 25749
125 1 6 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.092 0.037 25749
126 1 6 . 1 1 8 8 ARG H H 8 8.072 8.072 8.508 -0.436 25749
127 1 6 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.285 -0.017 25749
128 1 6 . 1 1 9 9 LYS H H 9 8.406 8.406 7.894 0.512 25749
129 1 6 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.651 0.132 25749
130 1 6 . 1 1 10 10 CYS H H 10 8.344 8.344 8.284 0.060 25749
131 1 6 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.387 -0.140 25749
132 1 6 . 1 1 12 12 LEU H H 12 8.171 8.171 8.304 -0.133 25749
133 1 6 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.986 -0.376 25749
134 1 6 . 1 1 13 13 PHE H H 13 8.170 8.170 8.245 -0.075 25749
135 1 6 . 1 1 14 14 GLY H H 14 8.301 8.301 8.574 -0.273 25749
136 1 6 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.491 -0.116 25749
137 1 6 . 1 1 15 15 LYS H H 15 8.187 8.187 8.468 -0.281 25749
138 1 6 . 1 1 16 16 GLY H H 16 8.487 8.487 8.080 0.407 25749
139 1 7 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.182 0.094 25749
140 1 7 . 1 1 3 3 ALA H H 3 8.343 8.343 8.431 -0.088 25749
141 1 7 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.101 0.162 25749
142 1 7 . 1 1 4 4 ARG H H 4 8.243 8.243 8.285 -0.042 25749
143 1 7 . 1 1 5 5 GLY H H 5 8.369 8.369 8.223 0.146 25749
144 1 7 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.689 -0.071 25749
145 1 7 . 1 1 6 6 TRP H H 6 7.941 7.941 7.929 0.012 25749
146 1 7 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.103 0.057 25749
147 1 7 . 1 1 7 7 LYS H H 7 8.024 8.024 7.945 0.079 25749
148 1 7 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.452 -0.323 25749
149 1 7 . 1 1 8 8 ARG H H 8 8.072 8.072 7.841 0.231 25749
150 1 7 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.601 -0.333 25749
151 1 7 . 1 1 9 9 LYS H H 9 8.406 8.406 8.163 0.243 25749
152 1 7 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.544 0.239 25749
153 1 7 . 1 1 10 10 CYS H H 10 8.344 8.344 8.404 -0.060 25749
154 1 7 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.695 -0.448 25749
155 1 7 . 1 1 12 12 LEU H H 12 8.171 8.171 7.578 0.593 25749
156 1 7 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.004 -0.394 25749
157 1 7 . 1 1 13 13 PHE H H 13 8.170 8.170 8.217 -0.047 25749
158 1 7 . 1 1 14 14 GLY H H 14 8.301 8.301 8.447 -0.146 25749
159 1 7 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.418 -0.043 25749
160 1 7 . 1 1 15 15 LYS H H 15 8.187 8.187 7.923 0.264 25749
161 1 7 . 1 1 16 16 GLY H H 16 8.487 8.487 8.490 -0.003 25749
162 1 8 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.045 0.231 25749
163 1 8 . 1 1 3 3 ALA H H 3 8.343 8.343 8.584 -0.241 25749
164 1 8 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.215 0.048 25749
165 1 8 . 1 1 4 4 ARG H H 4 8.243 8.243 8.356 -0.113 25749
166 1 8 . 1 1 5 5 GLY H H 5 8.369 8.369 8.300 0.069 25749
167 1 8 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.703 -0.085 25749
168 1 8 . 1 1 6 6 TRP H H 6 7.941 7.941 7.766 0.175 25749
169 1 8 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.113 0.047 25749
170 1 8 . 1 1 7 7 LYS H H 7 8.024 8.024 7.751 0.273 25749
171 1 8 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.455 -0.326 25749
172 1 8 . 1 1 8 8 ARG H H 8 8.072 8.072 7.522 0.550 25749
173 1 8 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.441 -0.173 25749
174 1 8 . 1 1 9 9 LYS H H 9 8.406 8.406 8.209 0.197 25749
175 1 8 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.571 0.212 25749
176 1 8 . 1 1 10 10 CYS H H 10 8.344 8.344 8.147 0.197 25749
177 1 8 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.652 -0.405 25749
178 1 8 . 1 1 12 12 LEU H H 12 8.171 8.171 8.056 0.115 25749
179 1 8 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.083 -0.473 25749
180 1 8 . 1 1 13 13 PHE H H 13 8.170 8.170 8.567 -0.397 25749
181 1 8 . 1 1 14 14 GLY H H 14 8.301 8.301 8.373 -0.072 25749
182 1 8 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.525 -0.150 25749
183 1 8 . 1 1 15 15 LYS H H 15 8.187 8.187 7.849 0.338 25749
184 1 8 . 1 1 16 16 GLY H H 16 8.487 8.487 8.308 0.179 25749
185 1 9 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.189 0.087 25749
186 1 9 . 1 1 3 3 ALA H H 3 8.343 8.343 8.697 -0.354 25749
187 1 9 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.256 0.007 25749
188 1 9 . 1 1 4 4 ARG H H 4 8.243 8.243 8.556 -0.313 25749
189 1 9 . 1 1 5 5 GLY H H 5 8.369 8.369 7.707 0.662 25749
190 1 9 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.636 -0.018 25749
191 1 9 . 1 1 6 6 TRP H H 6 7.941 7.941 8.120 -0.179 25749
192 1 9 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.113 0.047 25749
193 1 9 . 1 1 7 7 LYS H H 7 8.024 8.024 7.308 0.716 25749
194 1 9 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.368 -0.239 25749
195 1 9 . 1 1 8 8 ARG H H 8 8.072 8.072 7.633 0.439 25749
196 1 9 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.468 -0.200 25749
197 1 9 . 1 1 9 9 LYS H H 9 8.406 8.406 8.216 0.190 25749
198 1 9 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.506 0.277 25749
199 1 9 . 1 1 10 10 CYS H H 10 8.344 8.344 8.179 0.165 25749
200 1 9 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.311 -0.064 25749
201 1 9 . 1 1 12 12 LEU H H 12 8.171 8.171 7.969 0.202 25749
202 1 9 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.058 -0.448 25749
203 1 9 . 1 1 13 13 PHE H H 13 8.170 8.170 8.091 0.079 25749
204 1 9 . 1 1 14 14 GLY H H 14 8.301 8.301 8.515 -0.214 25749
205 1 9 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.783 -0.408 25749
206 1 9 . 1 1 15 15 LYS H H 15 8.187 8.187 8.201 -0.014 25749
207 1 9 . 1 1 16 16 GLY H H 16 8.487 8.487 8.449 0.038 25749
208 1 10 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.109 0.167 25749
209 1 10 . 1 1 3 3 ALA H H 3 8.343 8.343 8.533 -0.190 25749
210 1 10 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.209 0.054 25749
211 1 10 . 1 1 4 4 ARG H H 4 8.243 8.243 8.560 -0.317 25749
212 1 10 . 1 1 5 5 GLY H H 5 8.369 8.369 7.879 0.490 25749
213 1 10 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.689 -0.071 25749
214 1 10 . 1 1 6 6 TRP H H 6 7.941 7.941 7.832 0.109 25749
215 1 10 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.145 0.015 25749
216 1 10 . 1 1 7 7 LYS H H 7 8.024 8.024 7.782 0.242 25749
217 1 10 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.462 -0.333 25749
218 1 10 . 1 1 8 8 ARG H H 8 8.072 8.072 7.542 0.530 25749
219 1 10 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.466 -0.198 25749
220 1 10 . 1 1 9 9 LYS H H 9 8.406 8.406 8.250 0.156 25749
221 1 10 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.430 0.353 25749
222 1 10 . 1 1 10 10 CYS H H 10 8.344 8.344 8.166 0.178 25749
223 1 10 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.586 -0.339 25749
224 1 10 . 1 1 12 12 LEU H H 12 8.171 8.171 7.861 0.310 25749
225 1 10 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.923 -0.313 25749
226 1 10 . 1 1 13 13 PHE H H 13 8.170 8.170 8.609 -0.439 25749
227 1 10 . 1 1 14 14 GLY H H 14 8.301 8.301 8.591 -0.290 25749
228 1 10 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.771 -0.396 25749
229 1 10 . 1 1 15 15 LYS H H 15 8.187 8.187 8.296 -0.109 25749
230 1 10 . 1 1 16 16 GLY H H 16 8.487 8.487 8.374 0.113 25749
231 1 11 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.019 0.257 25749
232 1 11 . 1 1 3 3 ALA H H 3 8.343 8.343 8.667 -0.324 25749
233 1 11 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.239 0.024 25749
234 1 11 . 1 1 4 4 ARG H H 4 8.243 8.243 8.593 -0.350 25749
235 1 11 . 1 1 5 5 GLY H H 5 8.369 8.369 8.010 0.359 25749
236 1 11 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.792 -0.174 25749
237 1 11 . 1 1 6 6 TRP H H 6 7.941 7.941 8.083 -0.142 25749
238 1 11 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.033 0.127 25749
239 1 11 . 1 1 7 7 LYS H H 7 8.024 8.024 7.444 0.580 25749
240 1 11 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.537 -0.408 25749
241 1 11 . 1 1 8 8 ARG H H 8 8.072 8.072 7.602 0.470 25749
242 1 11 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.481 -0.213 25749
243 1 11 . 1 1 9 9 LYS H H 9 8.406 8.406 8.301 0.105 25749
244 1 11 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.637 0.146 25749
245 1 11 . 1 1 10 10 CYS H H 10 8.344 8.344 8.150 0.194 25749
246 1 11 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.631 -0.384 25749
247 1 11 . 1 1 12 12 LEU H H 12 8.171 8.171 7.778 0.393 25749
248 1 11 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.077 -0.467 25749
249 1 11 . 1 1 13 13 PHE H H 13 8.170 8.170 8.555 -0.385 25749
250 1 11 . 1 1 14 14 GLY H H 14 8.301 8.301 8.362 -0.061 25749
251 1 11 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.648 -0.273 25749
252 1 11 . 1 1 15 15 LYS H H 15 8.187 8.187 8.046 0.141 25749
253 1 11 . 1 1 16 16 GLY H H 16 8.487 8.487 8.437 0.050 25749
254 1 12 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.161 0.115 25749
255 1 12 . 1 1 3 3 ALA H H 3 8.343 8.343 8.682 -0.339 25749
256 1 12 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.205 0.058 25749
257 1 12 . 1 1 4 4 ARG H H 4 8.243 8.243 8.484 -0.241 25749
258 1 12 . 1 1 5 5 GLY H H 5 8.369 8.369 7.892 0.477 25749
259 1 12 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.773 -0.155 25749
260 1 12 . 1 1 6 6 TRP H H 6 7.941 7.941 7.879 0.062 25749
261 1 12 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.143 0.017 25749
262 1 12 . 1 1 7 7 LYS H H 7 8.024 8.024 7.465 0.559 25749
263 1 12 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.497 -0.368 25749
264 1 12 . 1 1 8 8 ARG H H 8 8.072 8.072 7.652 0.420 25749
265 1 12 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.490 -0.222 25749
266 1 12 . 1 1 9 9 LYS H H 9 8.406 8.406 8.310 0.096 25749
267 1 12 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.591 0.192 25749
268 1 12 . 1 1 10 10 CYS H H 10 8.344 8.344 8.253 0.091 25749
269 1 12 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.604 -0.357 25749
270 1 12 . 1 1 12 12 LEU H H 12 8.171 8.171 7.841 0.330 25749
271 1 12 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.993 -0.383 25749
272 1 12 . 1 1 13 13 PHE H H 13 8.170 8.170 8.434 -0.264 25749
273 1 12 . 1 1 14 14 GLY H H 14 8.301 8.301 8.506 -0.205 25749
274 1 12 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.778 -0.403 25749
275 1 12 . 1 1 15 15 LYS H H 15 8.187 8.187 8.289 -0.102 25749
276 1 12 . 1 1 16 16 GLY H H 16 8.487 8.487 8.387 0.100 25749
277 1 13 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.019 0.257 25749
278 1 13 . 1 1 3 3 ALA H H 3 8.343 8.343 8.667 -0.324 25749
279 1 13 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.239 0.024 25749
280 1 13 . 1 1 4 4 ARG H H 4 8.243 8.243 8.593 -0.350 25749
281 1 13 . 1 1 5 5 GLY H H 5 8.369 8.369 8.010 0.359 25749
282 1 13 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.792 -0.174 25749
283 1 13 . 1 1 6 6 TRP H H 6 7.941 7.941 8.083 -0.142 25749
284 1 13 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.033 0.127 25749
285 1 13 . 1 1 7 7 LYS H H 7 8.024 8.024 7.444 0.580 25749
286 1 13 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.537 -0.408 25749
287 1 13 . 1 1 8 8 ARG H H 8 8.072 8.072 7.602 0.470 25749
288 1 13 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.481 -0.213 25749
289 1 13 . 1 1 9 9 LYS H H 9 8.406 8.406 8.301 0.105 25749
290 1 13 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.637 0.146 25749
291 1 13 . 1 1 10 10 CYS H H 10 8.344 8.344 8.150 0.194 25749
292 1 13 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.631 -0.384 25749
293 1 13 . 1 1 12 12 LEU H H 12 8.171 8.171 7.778 0.393 25749
294 1 13 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.077 -0.467 25749
295 1 13 . 1 1 13 13 PHE H H 13 8.170 8.170 8.555 -0.385 25749
296 1 13 . 1 1 14 14 GLY H H 14 8.301 8.301 8.362 -0.061 25749
297 1 13 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.648 -0.273 25749
298 1 13 . 1 1 15 15 LYS H H 15 8.187 8.187 8.046 0.141 25749
299 1 13 . 1 1 16 16 GLY H H 16 8.487 8.487 8.437 0.050 25749
300 1 14 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.098 0.178 25749
301 1 14 . 1 1 3 3 ALA H H 3 8.343 8.343 8.672 -0.329 25749
302 1 14 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.327 -0.064 25749
303 1 14 . 1 1 4 4 ARG H H 4 8.243 8.243 8.435 -0.192 25749
304 1 14 . 1 1 5 5 GLY H H 5 8.369 8.369 7.768 0.601 25749
305 1 14 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.807 -0.189 25749
306 1 14 . 1 1 6 6 TRP H H 6 7.941 7.941 7.417 0.524 25749
307 1 14 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.068 0.092 25749
308 1 14 . 1 1 7 7 LYS H H 7 8.024 8.024 7.369 0.655 25749
309 1 14 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.359 -0.230 25749
310 1 14 . 1 1 8 8 ARG H H 8 8.072 8.072 7.659 0.413 25749
311 1 14 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.478 -0.210 25749
312 1 14 . 1 1 9 9 LYS H H 9 8.406 8.406 8.221 0.185 25749
313 1 14 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.444 0.339 25749
314 1 14 . 1 1 10 10 CYS H H 10 8.344 8.344 8.170 0.174 25749
315 1 14 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.430 -0.183 25749
316 1 14 . 1 1 12 12 LEU H H 12 8.171 8.171 8.090 0.081 25749
317 1 14 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.048 -0.438 25749
318 1 14 . 1 1 13 13 PHE H H 13 8.170 8.170 8.374 -0.204 25749
319 1 14 . 1 1 14 14 GLY H H 14 8.301 8.301 8.617 -0.316 25749
320 1 14 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.782 -0.407 25749
321 1 14 . 1 1 15 15 LYS H H 15 8.187 8.187 8.189 -0.002 25749
322 1 14 . 1 1 16 16 GLY H H 16 8.487 8.487 8.458 0.029 25749
323 1 15 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.188 0.088 25749
324 1 15 . 1 1 3 3 ALA H H 3 8.343 8.343 8.485 -0.142 25749
325 1 15 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.295 -0.032 25749
326 1 15 . 1 1 4 4 ARG H H 4 8.243 8.243 8.622 -0.379 25749
327 1 15 . 1 1 5 5 GLY H H 5 8.369 8.369 7.502 0.867 25749
328 1 15 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.762 -0.144 25749
329 1 15 . 1 1 6 6 TRP H H 6 7.941 7.941 8.046 -0.105 25749
330 1 15 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.048 0.112 25749
331 1 15 . 1 1 7 7 LYS H H 7 8.024 8.024 7.630 0.394 25749
332 1 15 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.432 -0.303 25749
333 1 15 . 1 1 8 8 ARG H H 8 8.072 8.072 7.671 0.401 25749
334 1 15 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.469 -0.201 25749
335 1 15 . 1 1 9 9 LYS H H 9 8.406 8.406 8.403 0.003 25749
336 1 15 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.668 0.115 25749
337 1 15 . 1 1 10 10 CYS H H 10 8.344 8.344 8.234 0.110 25749
338 1 15 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.651 -0.404 25749
339 1 15 . 1 1 12 12 LEU H H 12 8.171 8.171 7.773 0.398 25749
340 1 15 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.013 -0.403 25749
341 1 15 . 1 1 13 13 PHE H H 13 8.170 8.170 8.346 -0.176 25749
342 1 15 . 1 1 14 14 GLY H H 14 8.301 8.301 8.397 -0.096 25749
343 1 15 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.624 -0.249 25749
344 1 15 . 1 1 15 15 LYS H H 15 8.187 8.187 8.012 0.175 25749
345 1 15 . 1 1 16 16 GLY H H 16 8.487 8.487 8.470 0.017 25749
346 1 16 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.171 0.105 25749
347 1 16 . 1 1 3 3 ALA H H 3 8.343 8.343 8.659 -0.316 25749
348 1 16 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.118 0.145 25749
349 1 16 . 1 1 4 4 ARG H H 4 8.243 8.243 8.526 -0.283 25749
350 1 16 . 1 1 5 5 GLY H H 5 8.369 8.369 8.106 0.263 25749
351 1 16 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.838 -0.220 25749
352 1 16 . 1 1 6 6 TRP H H 6 7.941 7.941 8.110 -0.169 25749
353 1 16 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.173 -0.013 25749
354 1 16 . 1 1 7 7 LYS H H 7 8.024 8.024 7.633 0.391 25749
355 1 16 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.456 -0.327 25749
356 1 16 . 1 1 8 8 ARG H H 8 8.072 8.072 7.888 0.184 25749
357 1 16 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.440 -0.172 25749
358 1 16 . 1 1 9 9 LYS H H 9 8.406 8.406 8.428 -0.022 25749
359 1 16 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.716 0.067 25749
360 1 16 . 1 1 10 10 CYS H H 10 8.344 8.344 8.010 0.334 25749
361 1 16 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.190 0.057 25749
362 1 16 . 1 1 12 12 LEU H H 12 8.171 8.171 7.939 0.232 25749
363 1 16 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.923 -0.313 25749
364 1 16 . 1 1 13 13 PHE H H 13 8.170 8.170 8.595 -0.425 25749
365 1 16 . 1 1 14 14 GLY H H 14 8.301 8.301 8.464 -0.163 25749
366 1 16 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.624 -0.249 25749
367 1 16 . 1 1 15 15 LYS H H 15 8.187 8.187 7.966 0.221 25749
368 1 16 . 1 1 16 16 GLY H H 16 8.487 8.487 8.447 0.040 25749
369 1 17 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.000 0.276 25749
370 1 17 . 1 1 3 3 ALA H H 3 8.343 8.343 8.641 -0.298 25749
371 1 17 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.222 0.041 25749
372 1 17 . 1 1 4 4 ARG H H 4 8.243 8.243 8.644 -0.401 25749
373 1 17 . 1 1 5 5 GLY H H 5 8.369 8.369 7.917 0.452 25749
374 1 17 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.662 -0.044 25749
375 1 17 . 1 1 6 6 TRP H H 6 7.941 7.941 7.949 -0.008 25749
376 1 17 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.793 0.367 25749
377 1 17 . 1 1 7 7 LYS H H 7 8.024 8.024 7.687 0.337 25749
378 1 17 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.396 -0.267 25749
379 1 17 . 1 1 8 8 ARG H H 8 8.072 8.072 7.626 0.446 25749
380 1 17 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.483 -0.215 25749
381 1 17 . 1 1 9 9 LYS H H 9 8.406 8.406 8.311 0.095 25749
382 1 17 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.470 0.313 25749
383 1 17 . 1 1 10 10 CYS H H 10 8.344 8.344 8.233 0.111 25749
384 1 17 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.391 -0.144 25749
385 1 17 . 1 1 12 12 LEU H H 12 8.171 8.171 7.727 0.444 25749
386 1 17 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.040 -0.430 25749
387 1 17 . 1 1 13 13 PHE H H 13 8.170 8.170 8.091 0.079 25749
388 1 17 . 1 1 14 14 GLY H H 14 8.301 8.301 8.494 -0.193 25749
389 1 17 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.827 -0.452 25749
390 1 17 . 1 1 15 15 LYS H H 15 8.187 8.187 8.240 -0.053 25749
391 1 17 . 1 1 16 16 GLY H H 16 8.487 8.487 8.391 0.096 25749
392 1 18 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.158 0.118 25749
393 1 18 . 1 1 3 3 ALA H H 3 8.343 8.343 8.694 -0.351 25749
394 1 18 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.446 -0.183 25749
395 1 18 . 1 1 4 4 ARG H H 4 8.243 8.243 8.506 -0.263 25749
396 1 18 . 1 1 5 5 GLY H H 5 8.369 8.369 8.177 0.192 25749
397 1 18 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.739 -0.121 25749
398 1 18 . 1 1 6 6 TRP H H 6 7.941 7.941 7.812 0.129 25749
399 1 18 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.901 0.259 25749
400 1 18 . 1 1 7 7 LYS H H 7 8.024 8.024 7.851 0.173 25749
401 1 18 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.393 -0.264 25749
402 1 18 . 1 1 8 8 ARG H H 8 8.072 8.072 7.660 0.412 25749
403 1 18 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.518 -0.250 25749
404 1 18 . 1 1 9 9 LYS H H 9 8.406 8.406 8.479 -0.073 25749
405 1 18 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.714 0.069 25749
406 1 18 . 1 1 10 10 CYS H H 10 8.344 8.344 7.939 0.405 25749
407 1 18 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.582 -0.335 25749
408 1 18 . 1 1 12 12 LEU H H 12 8.171 8.171 7.825 0.346 25749
409 1 18 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.075 -0.465 25749
410 1 18 . 1 1 13 13 PHE H H 13 8.170 8.170 8.383 -0.213 25749
411 1 18 . 1 1 14 14 GLY H H 14 8.301 8.301 8.412 -0.111 25749
412 1 18 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.843 -0.468 25749
413 1 18 . 1 1 15 15 LYS H H 15 8.187 8.187 8.282 -0.095 25749
414 1 18 . 1 1 16 16 GLY H H 16 8.487 8.487 8.528 -0.041 25749
415 1 19 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.221 0.055 25749
416 1 19 . 1 1 3 3 ALA H H 3 8.343 8.343 8.669 -0.326 25749
417 1 19 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.296 -0.033 25749
418 1 19 . 1 1 4 4 ARG H H 4 8.243 8.243 8.640 -0.397 25749
419 1 19 . 1 1 5 5 GLY H H 5 8.369 8.369 8.232 0.137 25749
420 1 19 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.668 -0.050 25749
421 1 19 . 1 1 6 6 TRP H H 6 7.941 7.941 7.961 -0.020 25749
422 1 19 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.075 0.085 25749
423 1 19 . 1 1 7 7 LYS H H 7 8.024 8.024 8.097 -0.073 25749
424 1 19 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.546 -0.417 25749
425 1 19 . 1 1 8 8 ARG H H 8 8.072 8.072 7.851 0.221 25749
426 1 19 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.521 -0.253 25749
427 1 19 . 1 1 9 9 LYS H H 9 8.406 8.406 8.382 0.024 25749
428 1 19 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.484 0.299 25749
429 1 19 . 1 1 10 10 CYS H H 10 8.344 8.344 8.226 0.118 25749
430 1 19 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.945 -0.698 25749
431 1 19 . 1 1 12 12 LEU H H 12 8.171 8.171 7.990 0.181 25749
432 1 19 . 1 1 13 13 PHE HA H 13 4.610 4.610 4.873 -0.263 25749
433 1 19 . 1 1 13 13 PHE H H 13 8.170 8.170 8.601 -0.431 25749
434 1 19 . 1 1 14 14 GLY H H 14 8.301 8.301 8.448 -0.147 25749
435 1 19 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.633 -0.258 25749
436 1 19 . 1 1 15 15 LYS H H 15 8.187 8.187 7.894 0.293 25749
437 1 19 . 1 1 16 16 GLY H H 16 8.487 8.487 8.493 -0.006 25749
438 1 20 . 1 1 3 3 ALA HA H 3 4.276 4.276 4.093 0.183 25749
439 1 20 . 1 1 3 3 ALA H H 3 8.343 8.343 8.534 -0.191 25749
440 1 20 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.376 -0.113 25749
441 1 20 . 1 1 4 4 ARG H H 4 8.243 8.243 8.598 -0.355 25749
442 1 20 . 1 1 5 5 GLY H H 5 8.369 8.369 8.403 -0.034 25749
443 1 20 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.608 0.010 25749
444 1 20 . 1 1 6 6 TRP H H 6 7.941 7.941 7.818 0.123 25749
445 1 20 . 1 1 7 7 LYS HA H 7 4.160 4.160 3.928 0.232 25749
446 1 20 . 1 1 7 7 LYS H H 7 8.024 8.024 7.796 0.228 25749
447 1 20 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.411 -0.282 25749
448 1 20 . 1 1 8 8 ARG H H 8 8.072 8.072 7.761 0.311 25749
449 1 20 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.474 -0.206 25749
450 1 20 . 1 1 9 9 LYS H H 9 8.406 8.406 8.340 0.066 25749
451 1 20 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.470 0.313 25749
452 1 20 . 1 1 10 10 CYS H H 10 8.344 8.344 8.103 0.241 25749
453 1 20 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.455 -0.208 25749
454 1 20 . 1 1 12 12 LEU H H 12 8.171 8.171 7.768 0.403 25749
455 1 20 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.078 -0.468 25749
456 1 20 . 1 1 13 13 PHE H H 13 8.170 8.170 8.374 -0.204 25749
457 1 20 . 1 1 14 14 GLY H H 14 8.301 8.301 8.607 -0.306 25749
458 1 20 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.749 -0.374 25749
459 1 20 . 1 1 15 15 LYS H H 15 8.187 8.187 8.257 -0.070 25749
460 1 20 . 1 1 16 16 GLY H H 16 8.487 8.487 8.461 0.026 25749
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 25749
2 1 1 "Average Difference" HA 16 0.250 0.134 0.218 25749
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25749
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25749
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25749
6 1 1 "Average Difference" HN 13 0.296 -0.110 0.286 25749
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25749
8 1 2 "Average Difference" HA 16 0.232 0.143 0.189 25749
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25749
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25749
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25749
12 1 2 "Average Difference" HN 13 0.380 -0.145 0.366 25749
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25749
14 1 3 "Average Difference" HA 16 0.273 0.154 0.233 25749
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25749
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25749
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25749
18 1 3 "Average Difference" HN 13 0.298 -0.120 0.284 25749
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25749
20 1 4 "Average Difference" HA 16 0.258 0.132 0.229 25749
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25749
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25749
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25749
24 1 4 "Average Difference" HN 13 0.315 -0.122 0.302 25749
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25749
26 1 5 "Average Difference" HA 16 0.211 0.073 0.204 25749
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25749
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25749
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25749
30 1 5 "Average Difference" HN 13 0.259 -0.007 0.269 25749
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25749
32 1 6 "Average Difference" HA 16 0.231 0.114 0.207 25749
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25749
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25749
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25749
36 1 6 "Average Difference" HN 13 0.324 -0.036 0.335 25749
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25749
38 1 7 "Average Difference" HA 16 0.248 0.147 0.206 25749
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25749
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25749
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25749
42 1 7 "Average Difference" HN 13 0.215 -0.091 0.202 25749
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25749
44 1 8 "Average Difference" HA 16 0.232 0.135 0.195 25749
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25749
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25749
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25749
48 1 8 "Average Difference" HN 13 0.261 -0.098 0.252 25749
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25749
50 1 9 "Average Difference" HA 16 0.231 0.141 0.189 25749
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25749
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25749
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25749
54 1 9 "Average Difference" HN 13 0.346 -0.109 0.342 25749
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25749
56 1 10 "Average Difference" HA 16 0.276 0.175 0.220 25749
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25749
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25749
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25749
60 1 10 "Average Difference" HN 13 0.301 -0.060 0.307 25749
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25749
62 1 11 "Average Difference" HA 16 0.249 0.153 0.203 25749
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25749
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25749
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25749
66 1 11 "Average Difference" HN 13 0.318 -0.079 0.320 25749
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25749
68 1 12 "Average Difference" HA 16 0.242 0.167 0.180 25749
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25749
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25749
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25749
72 1 12 "Average Difference" HN 13 0.298 -0.076 0.300 25749
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25749
74 1 13 "Average Difference" HA 16 0.249 0.153 0.203 25749
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25749
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25749
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25749
78 1 13 "Average Difference" HN 13 0.318 -0.079 0.320 25749
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25749
80 1 14 "Average Difference" HA 16 0.261 0.162 0.211 25749
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25749
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25749
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25749
84 1 14 "Average Difference" HN 13 0.350 -0.125 0.341 25749
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25749
86 1 15 "Average Difference" HA 16 0.224 0.159 0.163 25749
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25749
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25749
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25749
90 1 15 "Average Difference" HN 13 0.338 -0.113 0.331 25749
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25749
92 1 16 "Average Difference" HA 16 0.211 0.143 0.161 25749
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25749
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25749
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25749
96 1 16 "Average Difference" HN 13 0.261 -0.022 0.271 25749
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25749
98 1 17 "Average Difference" HA 16 0.269 0.120 0.249 25749
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25749
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25749
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25749
102 1 17 "Average Difference" HN 13 0.283 -0.085 0.281 25749
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25749
104 1 18 "Average Difference" HA 16 0.254 0.174 0.192 25749
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25749
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25749
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25749
108 1 18 "Average Difference" HN 13 0.248 -0.039 0.255 25749
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25749
110 1 19 "Average Difference" HA 16 0.282 0.177 0.227 25749
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25749
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25749
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25749
114 1 19 "Average Difference" HN 13 0.228 0.033 0.235 25749
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25749
116 1 20 "Average Difference" HA 16 0.250 0.133 0.218 25749
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25749
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25749
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25749
120 1 20 "Average Difference" HN 13 0.231 -0.018 0.240 25749
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 25749
_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 3 3 ALA HA H 3 4.276 4.276 4.116 0.160 25749
2 1 . 1 1 3 3 ALA H H 3 8.343 8.343 8.633 -0.290 25749
3 1 . 1 1 4 4 ARG HA H 4 4.263 4.263 4.228 0.035 25749
4 1 . 1 1 4 4 ARG H H 4 8.243 8.243 8.491 -0.248 25749
5 1 . 1 1 5 5 GLY H H 5 8.369 8.369 8.005 0.364 25749
6 1 . 1 1 6 6 TRP HA H 6 4.618 4.618 4.733 -0.115 25749
7 1 . 1 1 6 6 TRP H H 6 7.941 7.941 7.842 0.099 25749
8 1 . 1 1 7 7 LYS HA H 7 4.160 4.160 4.022 0.138 25749
9 1 . 1 1 7 7 LYS H H 7 8.024 8.024 7.656 0.368 25749
10 1 . 1 1 8 8 ARG HA H 8 4.129 4.129 4.408 -0.279 25749
11 1 . 1 1 8 8 ARG H H 8 8.072 8.072 7.746 0.326 25749
12 1 . 1 1 9 9 LYS HA H 9 4.268 4.268 4.468 -0.200 25749
13 1 . 1 1 9 9 LYS H H 9 8.406 8.406 8.265 0.142 25749
14 1 . 1 1 10 10 CYS HA H 10 4.783 4.783 4.565 0.218 25749
15 1 . 1 1 10 10 CYS H H 10 8.344 8.344 8.187 0.157 25749
16 1 . 1 1 12 12 LEU HA H 12 4.247 4.247 4.538 -0.291 25749
17 1 . 1 1 12 12 LEU H H 12 8.171 8.171 7.859 0.312 25749
18 1 . 1 1 13 13 PHE HA H 13 4.610 4.610 5.016 -0.406 25749
19 1 . 1 1 13 13 PHE H H 13 8.170 8.170 8.412 -0.242 25749
20 1 . 1 1 14 14 GLY H H 14 8.301 8.301 8.476 -0.175 25749
21 1 . 1 1 15 15 LYS HA H 15 4.375 4.375 4.620 -0.245 25749
22 1 . 1 1 15 15 LYS H H 15 8.187 8.187 8.097 0.090 25749
23 1 . 1 1 16 16 GLY H H 16 8.487 8.487 8.413 0.074 25749
stop_
save_