data_18420
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18420
_Entry.PDB_ID 2LSA
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 18420
_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 ILE HA H 2 4.269 4.269 4.447 -0.178 18420
2 1 1 . 1 1 2 2 ILE H H 2 8.590 8.590 8.636 -0.046 18420
3 1 1 . 1 1 3 3 GLY H H 3 8.591 8.591 8.160 0.431 18420
4 1 1 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.614 -0.476 18420
5 1 1 . 1 1 4 4 LYS H H 4 7.854 7.854 7.979 -0.125 18420
6 1 1 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.388 0.113 18420
7 1 1 . 1 1 5 5 PHE H H 5 7.897 7.897 8.319 -0.422 18420
8 1 1 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.322 -0.303 18420
9 1 1 . 1 1 6 6 LEU H H 6 8.056 8.056 8.197 -0.141 18420
10 1 1 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.327 0.070 18420
11 1 1 . 1 1 7 7 HIS H H 7 8.196 8.196 7.872 0.324 18420
12 1 1 . 1 1 8 8 SER HA H 8 4.343 4.343 4.556 -0.213 18420
13 1 1 . 1 1 8 8 SER H H 8 8.022 8.022 7.826 0.196 18420
14 1 1 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.237 -0.154 18420
15 1 1 . 1 1 9 9 ALA H H 9 8.367 8.367 7.884 0.483 18420
16 1 1 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.612 -0.648 18420
17 1 1 . 1 1 10 10 LYS H H 10 8.089 8.089 7.571 0.518 18420
18 1 1 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.407 -0.383 18420
19 1 1 . 1 1 11 11 LYS H H 11 7.659 7.659 7.848 -0.189 18420
20 1 1 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.751 -0.292 18420
21 1 1 . 1 1 12 12 PHE H H 12 8.196 8.196 8.349 -0.153 18420
22 1 1 . 1 1 13 13 GLY H H 13 8.713 8.713 8.530 0.183 18420
23 1 1 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.007 -0.005 18420
24 1 1 . 1 1 14 14 LYS H H 14 8.352 8.352 8.287 0.065 18420
25 1 1 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.182 0.006 18420
26 1 1 . 1 1 15 15 ALA H H 15 7.747 7.747 7.451 0.296 18420
27 1 1 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.563 -0.265 18420
28 1 1 . 1 1 16 16 PHE H H 16 8.280 8.280 7.641 0.639 18420
29 1 1 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.893 -0.305 18420
30 1 1 . 1 1 17 17 VAL H H 17 8.249 8.249 8.737 -0.488 18420
31 1 1 . 1 1 18 18 GLY H H 18 8.122 8.122 7.894 0.228 18420
32 1 1 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.458 -0.234 18420
33 1 1 . 1 1 19 19 GLU H H 19 7.731 7.731 7.702 0.029 18420
34 1 1 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.997 -0.145 18420
35 1 1 . 1 1 20 20 ILE H H 20 7.696 7.696 8.096 -0.400 18420
36 1 1 . 1 1 21 21 MET HA H 21 4.315 4.315 4.197 0.118 18420
37 1 1 . 1 1 21 21 MET H H 21 8.168 8.168 7.936 0.232 18420
38 1 1 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.684 0.060 18420
39 1 1 . 1 1 22 22 ASN H H 22 7.905 7.905 8.023 -0.118 18420
40 1 2 . 1 1 2 2 ILE HA H 2 4.269 4.269 3.866 0.403 18420
41 1 2 . 1 1 2 2 ILE H H 2 8.590 8.590 8.347 0.243 18420
42 1 2 . 1 1 3 3 GLY H H 3 8.591 8.591 8.782 -0.191 18420
43 1 2 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.523 -0.385 18420
44 1 2 . 1 1 4 4 LYS H H 4 7.854 7.854 8.266 -0.412 18420
45 1 2 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.314 0.187 18420
46 1 2 . 1 1 5 5 PHE H H 5 7.897 7.897 7.683 0.214 18420
47 1 2 . 1 1 6 6 LEU HA H 6 4.019 4.019 3.982 0.037 18420
48 1 2 . 1 1 6 6 LEU H H 6 8.056 8.056 7.430 0.626 18420
49 1 2 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.244 0.153 18420
50 1 2 . 1 1 7 7 HIS H H 7 8.196 8.196 7.623 0.573 18420
51 1 2 . 1 1 8 8 SER HA H 8 4.343 4.343 4.157 0.186 18420
52 1 2 . 1 1 8 8 SER H H 8 8.022 8.022 7.973 0.049 18420
53 1 2 . 1 1 9 9 ALA HA H 9 4.083 4.083 3.980 0.103 18420
54 1 2 . 1 1 9 9 ALA H H 9 8.367 8.367 7.843 0.524 18420
55 1 2 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.179 -0.215 18420
56 1 2 . 1 1 10 10 LYS H H 10 8.089 8.089 7.514 0.575 18420
57 1 2 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.117 -0.093 18420
58 1 2 . 1 1 11 11 LYS H H 11 7.659 7.659 7.455 0.204 18420
59 1 2 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.898 -0.439 18420
60 1 2 . 1 1 12 12 PHE H H 12 8.196 8.196 8.364 -0.168 18420
61 1 2 . 1 1 13 13 GLY H H 13 8.713 8.713 8.878 -0.165 18420
62 1 2 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.154 -0.152 18420
63 1 2 . 1 1 14 14 LYS H H 14 8.352 8.352 7.544 0.808 18420
64 1 2 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.150 0.038 18420
65 1 2 . 1 1 15 15 ALA H H 15 7.747 7.747 7.324 0.423 18420
66 1 2 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.036 0.262 18420
67 1 2 . 1 1 16 16 PHE H H 16 8.280 8.280 7.868 0.412 18420
68 1 2 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.728 -0.140 18420
69 1 2 . 1 1 17 17 VAL H H 17 8.249 8.249 8.065 0.184 18420
70 1 2 . 1 1 18 18 GLY H H 18 8.122 8.122 8.320 -0.198 18420
71 1 2 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.308 -0.084 18420
72 1 2 . 1 1 19 19 GLU H H 19 7.731 7.731 7.471 0.260 18420
73 1 2 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.903 -0.051 18420
74 1 2 . 1 1 20 20 ILE H H 20 7.696 7.696 7.615 0.081 18420
75 1 2 . 1 1 21 21 MET HA H 21 4.315 4.315 4.613 -0.298 18420
76 1 2 . 1 1 21 21 MET H H 21 8.168 8.168 8.100 0.068 18420
77 1 2 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.836 -0.092 18420
78 1 2 . 1 1 22 22 ASN H H 22 7.905 7.905 8.566 -0.661 18420
79 1 3 . 1 1 2 2 ILE HA H 2 4.269 4.269 3.932 0.337 18420
80 1 3 . 1 1 2 2 ILE H H 2 8.590 8.590 8.669 -0.079 18420
81 1 3 . 1 1 3 3 GLY H H 3 8.591 8.591 8.708 -0.117 18420
82 1 3 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.501 -0.363 18420
83 1 3 . 1 1 4 4 LYS H H 4 7.854 7.854 7.978 -0.124 18420
84 1 3 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.484 0.017 18420
85 1 3 . 1 1 5 5 PHE H H 5 7.897 7.897 7.742 0.155 18420
86 1 3 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.074 -0.055 18420
87 1 3 . 1 1 6 6 LEU H H 6 8.056 8.056 8.074 -0.018 18420
88 1 3 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.289 0.108 18420
89 1 3 . 1 1 7 7 HIS H H 7 8.196 8.196 7.642 0.554 18420
90 1 3 . 1 1 8 8 SER HA H 8 4.343 4.343 4.204 0.139 18420
91 1 3 . 1 1 8 8 SER H H 8 8.022 8.022 7.495 0.527 18420
92 1 3 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.042 0.041 18420
93 1 3 . 1 1 9 9 ALA H H 9 8.367 8.367 7.530 0.837 18420
94 1 3 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.339 -0.375 18420
95 1 3 . 1 1 10 10 LYS H H 10 8.089 8.089 7.403 0.686 18420
96 1 3 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.022 0.002 18420
97 1 3 . 1 1 11 11 LYS H H 11 7.659 7.659 7.721 -0.062 18420
98 1 3 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.676 -0.217 18420
99 1 3 . 1 1 12 12 PHE H H 12 8.196 8.196 7.594 0.602 18420
100 1 3 . 1 1 13 13 GLY H H 13 8.713 8.713 8.133 0.580 18420
101 1 3 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.085 -0.083 18420
102 1 3 . 1 1 14 14 LYS H H 14 8.352 8.352 8.042 0.310 18420
103 1 3 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.226 -0.038 18420
104 1 3 . 1 1 15 15 ALA H H 15 7.747 7.747 7.286 0.461 18420
105 1 3 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.377 -0.079 18420
106 1 3 . 1 1 16 16 PHE H H 16 8.280 8.280 7.551 0.729 18420
107 1 3 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.657 -0.069 18420
108 1 3 . 1 1 17 17 VAL H H 17 8.249 8.249 8.389 -0.140 18420
109 1 3 . 1 1 18 18 GLY H H 18 8.122 8.122 7.875 0.247 18420
110 1 3 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.259 -0.035 18420
111 1 3 . 1 1 19 19 GLU H H 19 7.731 7.731 7.244 0.487 18420
112 1 3 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.707 0.145 18420
113 1 3 . 1 1 20 20 ILE H H 20 7.696 7.696 8.042 -0.346 18420
114 1 3 . 1 1 21 21 MET HA H 21 4.315 4.315 4.388 -0.073 18420
115 1 3 . 1 1 21 21 MET H H 21 8.168 8.168 7.660 0.508 18420
116 1 3 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.818 -0.074 18420
117 1 3 . 1 1 22 22 ASN H H 22 7.905 7.905 7.892 0.013 18420
118 1 4 . 1 1 2 2 ILE HA H 2 4.269 4.269 4.468 -0.199 18420
119 1 4 . 1 1 2 2 ILE H H 2 8.590 8.590 8.130 0.460 18420
120 1 4 . 1 1 3 3 GLY H H 3 8.591 8.591 8.399 0.192 18420
121 1 4 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.520 -0.382 18420
122 1 4 . 1 1 4 4 LYS H H 4 7.854 7.854 7.763 0.091 18420
123 1 4 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.453 0.048 18420
124 1 4 . 1 1 5 5 PHE H H 5 7.897 7.897 8.099 -0.202 18420
125 1 4 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.321 -0.302 18420
126 1 4 . 1 1 6 6 LEU H H 6 8.056 8.056 8.103 -0.047 18420
127 1 4 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.536 -0.139 18420
128 1 4 . 1 1 7 7 HIS H H 7 8.196 8.196 7.647 0.549 18420
129 1 4 . 1 1 8 8 SER HA H 8 4.343 4.343 4.442 -0.100 18420
130 1 4 . 1 1 8 8 SER H H 8 8.022 8.022 7.839 0.183 18420
131 1 4 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.003 0.080 18420
132 1 4 . 1 1 9 9 ALA H H 9 8.367 8.367 7.915 0.452 18420
133 1 4 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.280 -0.316 18420
134 1 4 . 1 1 10 10 LYS H H 10 8.089 8.089 7.613 0.476 18420
135 1 4 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.287 -0.263 18420
136 1 4 . 1 1 11 11 LYS H H 11 7.659 7.659 7.730 -0.071 18420
137 1 4 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.701 -0.242 18420
138 1 4 . 1 1 12 12 PHE H H 12 8.196 8.196 8.324 -0.128 18420
139 1 4 . 1 1 13 13 GLY H H 13 8.713 8.713 7.923 0.790 18420
140 1 4 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.117 -0.115 18420
141 1 4 . 1 1 14 14 LYS H H 14 8.352 8.352 8.053 0.299 18420
142 1 4 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.191 -0.003 18420
143 1 4 . 1 1 15 15 ALA H H 15 7.747 7.747 7.882 -0.135 18420
144 1 4 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.237 0.061 18420
145 1 4 . 1 1 16 16 PHE H H 16 8.280 8.280 7.643 0.637 18420
146 1 4 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.571 0.017 18420
147 1 4 . 1 1 17 17 VAL H H 17 8.249 8.249 8.102 0.147 18420
148 1 4 . 1 1 18 18 GLY H H 18 8.122 8.122 8.190 -0.068 18420
149 1 4 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.336 -0.112 18420
150 1 4 . 1 1 19 19 GLU H H 19 7.731 7.731 7.410 0.321 18420
151 1 4 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.766 0.086 18420
152 1 4 . 1 1 20 20 ILE H H 20 7.696 7.696 7.213 0.483 18420
153 1 4 . 1 1 21 21 MET HA H 21 4.315 4.315 4.424 -0.109 18420
154 1 4 . 1 1 21 21 MET H H 21 8.168 8.168 7.829 0.339 18420
155 1 4 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.798 -0.054 18420
156 1 4 . 1 1 22 22 ASN H H 22 7.905 7.905 7.873 0.032 18420
157 1 5 . 1 1 2 2 ILE HA H 2 4.269 4.269 3.817 0.452 18420
158 1 5 . 1 1 2 2 ILE H H 2 8.590 8.590 8.393 0.197 18420
159 1 5 . 1 1 3 3 GLY H H 3 8.591 8.591 8.773 -0.182 18420
160 1 5 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.462 -0.324 18420
161 1 5 . 1 1 4 4 LYS H H 4 7.854 7.854 8.196 -0.342 18420
162 1 5 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.361 0.140 18420
163 1 5 . 1 1 5 5 PHE H H 5 7.897 7.897 7.819 0.078 18420
164 1 5 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.276 -0.257 18420
165 1 5 . 1 1 6 6 LEU H H 6 8.056 8.056 7.624 0.432 18420
166 1 5 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.225 0.172 18420
167 1 5 . 1 1 7 7 HIS H H 7 8.196 8.196 7.683 0.513 18420
168 1 5 . 1 1 8 8 SER HA H 8 4.343 4.343 4.616 -0.273 18420
169 1 5 . 1 1 8 8 SER H H 8 8.022 8.022 8.637 -0.615 18420
170 1 5 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.206 -0.123 18420
171 1 5 . 1 1 9 9 ALA H H 9 8.367 8.367 7.838 0.529 18420
172 1 5 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.224 -0.260 18420
173 1 5 . 1 1 10 10 LYS H H 10 8.089 8.089 7.619 0.470 18420
174 1 5 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.410 -0.386 18420
175 1 5 . 1 1 11 11 LYS H H 11 7.659 7.659 8.035 -0.376 18420
176 1 5 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.674 -0.215 18420
177 1 5 . 1 1 12 12 PHE H H 12 8.196 8.196 7.878 0.318 18420
178 1 5 . 1 1 13 13 GLY H H 13 8.713 8.713 8.413 0.300 18420
179 1 5 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.019 -0.017 18420
180 1 5 . 1 1 14 14 LYS H H 14 8.352 8.352 8.482 -0.131 18420
181 1 5 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.236 -0.048 18420
182 1 5 . 1 1 15 15 ALA H H 15 7.747 7.747 7.726 0.021 18420
183 1 5 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.274 0.024 18420
184 1 5 . 1 1 16 16 PHE H H 16 8.280 8.280 8.047 0.233 18420
185 1 5 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.916 -0.328 18420
186 1 5 . 1 1 17 17 VAL H H 17 8.249 8.249 8.386 -0.137 18420
187 1 5 . 1 1 18 18 GLY H H 18 8.122 8.122 7.669 0.453 18420
188 1 5 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.244 -0.020 18420
189 1 5 . 1 1 19 19 GLU H H 19 7.731 7.731 7.424 0.307 18420
190 1 5 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.933 -0.081 18420
191 1 5 . 1 1 20 20 ILE H H 20 7.696 7.696 7.899 -0.203 18420
192 1 5 . 1 1 21 21 MET HA H 21 4.315 4.315 4.190 0.125 18420
193 1 5 . 1 1 21 21 MET H H 21 8.168 8.168 8.001 0.167 18420
194 1 5 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.850 -0.106 18420
195 1 5 . 1 1 22 22 ASN H H 22 7.905 7.905 7.937 -0.032 18420
196 1 6 . 1 1 2 2 ILE HA H 2 4.269 4.269 4.435 -0.166 18420
197 1 6 . 1 1 2 2 ILE H H 2 8.590 8.590 8.918 -0.328 18420
198 1 6 . 1 1 3 3 GLY H H 3 8.591 8.591 8.043 0.548 18420
199 1 6 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.354 -0.216 18420
200 1 6 . 1 1 4 4 LYS H H 4 7.854 7.854 8.297 -0.443 18420
201 1 6 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.547 -0.046 18420
202 1 6 . 1 1 5 5 PHE H H 5 7.897 7.897 8.630 -0.733 18420
203 1 6 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.661 -0.642 18420
204 1 6 . 1 1 6 6 LEU H H 6 8.056 8.056 7.438 0.618 18420
205 1 6 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.455 -0.058 18420
206 1 6 . 1 1 7 7 HIS H H 7 8.196 8.196 7.803 0.393 18420
207 1 6 . 1 1 8 8 SER HA H 8 4.343 4.343 4.480 -0.137 18420
208 1 6 . 1 1 8 8 SER H H 8 8.022 8.022 8.266 -0.244 18420
209 1 6 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.248 -0.165 18420
210 1 6 . 1 1 9 9 ALA H H 9 8.367 8.367 8.748 -0.381 18420
211 1 6 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.502 -0.538 18420
212 1 6 . 1 1 10 10 LYS H H 10 8.089 8.089 7.595 0.494 18420
213 1 6 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.344 -0.320 18420
214 1 6 . 1 1 11 11 LYS H H 11 7.659 7.659 7.916 -0.257 18420
215 1 6 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.607 -0.148 18420
216 1 6 . 1 1 12 12 PHE H H 12 8.196 8.196 8.078 0.118 18420
217 1 6 . 1 1 13 13 GLY H H 13 8.713 8.713 8.033 0.680 18420
218 1 6 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.056 -0.054 18420
219 1 6 . 1 1 14 14 LYS H H 14 8.352 8.352 8.363 -0.011 18420
220 1 6 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.434 -0.246 18420
221 1 6 . 1 1 15 15 ALA H H 15 7.747 7.747 7.656 0.091 18420
222 1 6 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.678 -0.380 18420
223 1 6 . 1 1 16 16 PHE H H 16 8.280 8.280 7.883 0.397 18420
224 1 6 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.606 -0.018 18420
225 1 6 . 1 1 17 17 VAL H H 17 8.249 8.249 8.909 -0.660 18420
226 1 6 . 1 1 18 18 GLY H H 18 8.122 8.122 8.048 0.074 18420
227 1 6 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.425 -0.201 18420
228 1 6 . 1 1 19 19 GLU H H 19 7.731 7.731 7.476 0.255 18420
229 1 6 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.772 0.080 18420
230 1 6 . 1 1 20 20 ILE H H 20 7.696 7.696 8.050 -0.354 18420
231 1 6 . 1 1 21 21 MET HA H 21 4.315 4.315 4.421 -0.106 18420
232 1 6 . 1 1 21 21 MET H H 21 8.168 8.168 7.569 0.599 18420
233 1 6 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.889 -0.145 18420
234 1 6 . 1 1 22 22 ASN H H 22 7.905 7.905 7.807 0.098 18420
235 1 7 . 1 1 2 2 ILE HA H 2 4.269 4.269 4.566 -0.297 18420
236 1 7 . 1 1 2 2 ILE H H 2 8.590 8.590 8.282 0.308 18420
237 1 7 . 1 1 3 3 GLY H H 3 8.591 8.591 8.195 0.396 18420
238 1 7 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.681 -0.543 18420
239 1 7 . 1 1 4 4 LYS H H 4 7.854 7.854 8.011 -0.157 18420
240 1 7 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.509 -0.008 18420
241 1 7 . 1 1 5 5 PHE H H 5 7.897 7.897 8.412 -0.515 18420
242 1 7 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.096 -0.077 18420
243 1 7 . 1 1 6 6 LEU H H 6 8.056 8.056 8.197 -0.141 18420
244 1 7 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.382 0.015 18420
245 1 7 . 1 1 7 7 HIS H H 7 8.196 8.196 7.835 0.361 18420
246 1 7 . 1 1 8 8 SER HA H 8 4.343 4.343 4.475 -0.132 18420
247 1 7 . 1 1 8 8 SER H H 8 8.022 8.022 7.570 0.452 18420
248 1 7 . 1 1 9 9 ALA HA H 9 4.083 4.083 3.976 0.107 18420
249 1 7 . 1 1 9 9 ALA H H 9 8.367 8.367 8.132 0.235 18420
250 1 7 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.487 -0.523 18420
251 1 7 . 1 1 10 10 LYS H H 10 8.089 8.089 7.407 0.682 18420
252 1 7 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.289 -0.265 18420
253 1 7 . 1 1 11 11 LYS H H 11 7.659 7.659 8.032 -0.373 18420
254 1 7 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.709 -0.250 18420
255 1 7 . 1 1 12 12 PHE H H 12 8.196 8.196 8.268 -0.072 18420
256 1 7 . 1 1 13 13 GLY H H 13 8.713 8.713 8.260 0.453 18420
257 1 7 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.026 -0.024 18420
258 1 7 . 1 1 14 14 LYS H H 14 8.352 8.352 8.417 -0.065 18420
259 1 7 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.206 -0.018 18420
260 1 7 . 1 1 15 15 ALA H H 15 7.747 7.747 7.822 -0.075 18420
261 1 7 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.745 -0.447 18420
262 1 7 . 1 1 16 16 PHE H H 16 8.280 8.280 7.906 0.374 18420
263 1 7 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.994 -0.406 18420
264 1 7 . 1 1 17 17 VAL H H 17 8.249 8.249 8.789 -0.540 18420
265 1 7 . 1 1 18 18 GLY H H 18 8.122 8.122 7.804 0.318 18420
266 1 7 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.415 -0.191 18420
267 1 7 . 1 1 19 19 GLU H H 19 7.731 7.731 7.496 0.235 18420
268 1 7 . 1 1 20 20 ILE HA H 20 3.852 3.852 4.118 -0.266 18420
269 1 7 . 1 1 20 20 ILE H H 20 7.696 7.696 8.312 -0.616 18420
270 1 7 . 1 1 21 21 MET HA H 21 4.315 4.315 4.383 -0.068 18420
271 1 7 . 1 1 21 21 MET H H 21 8.168 8.168 7.497 0.671 18420
272 1 7 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.939 -0.195 18420
273 1 7 . 1 1 22 22 ASN H H 22 7.905 7.905 8.262 -0.357 18420
274 1 8 . 1 1 2 2 ILE HA H 2 4.269 4.269 4.617 -0.348 18420
275 1 8 . 1 1 2 2 ILE H H 2 8.590 8.590 8.199 0.391 18420
276 1 8 . 1 1 3 3 GLY H H 3 8.591 8.591 8.411 0.180 18420
277 1 8 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.014 0.124 18420
278 1 8 . 1 1 4 4 LYS H H 4 7.854 7.854 7.670 0.184 18420
279 1 8 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.410 0.091 18420
280 1 8 . 1 1 5 5 PHE H H 5 7.897 7.897 8.054 -0.157 18420
281 1 8 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.062 -0.043 18420
282 1 8 . 1 1 6 6 LEU H H 6 8.056 8.056 7.957 0.099 18420
283 1 8 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.303 0.094 18420
284 1 8 . 1 1 7 7 HIS H H 7 8.196 8.196 7.353 0.843 18420
285 1 8 . 1 1 8 8 SER HA H 8 4.343 4.343 4.450 -0.107 18420
286 1 8 . 1 1 8 8 SER H H 8 8.022 8.022 8.150 -0.128 18420
287 1 8 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.028 0.055 18420
288 1 8 . 1 1 9 9 ALA H H 9 8.367 8.367 7.455 0.912 18420
289 1 8 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.311 -0.347 18420
290 1 8 . 1 1 10 10 LYS H H 10 8.089 8.089 7.382 0.707 18420
291 1 8 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.248 -0.224 18420
292 1 8 . 1 1 11 11 LYS H H 11 7.659 7.659 7.601 0.058 18420
293 1 8 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.662 -0.203 18420
294 1 8 . 1 1 12 12 PHE H H 12 8.196 8.196 7.977 0.219 18420
295 1 8 . 1 1 13 13 GLY H H 13 8.713 8.713 8.751 -0.038 18420
296 1 8 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.027 -0.025 18420
297 1 8 . 1 1 14 14 LYS H H 14 8.352 8.352 8.092 0.260 18420
298 1 8 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.040 0.148 18420
299 1 8 . 1 1 15 15 ALA H H 15 7.747 7.747 7.413 0.334 18420
300 1 8 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.447 -0.149 18420
301 1 8 . 1 1 16 16 PHE H H 16 8.280 8.280 7.402 0.878 18420
302 1 8 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.949 -0.361 18420
303 1 8 . 1 1 17 17 VAL H H 17 8.249 8.249 8.818 -0.569 18420
304 1 8 . 1 1 18 18 GLY H H 18 8.122 8.122 7.927 0.195 18420
305 1 8 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.332 -0.108 18420
306 1 8 . 1 1 19 19 GLU H H 19 7.731 7.731 7.692 0.039 18420
307 1 8 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.773 0.079 18420
308 1 8 . 1 1 20 20 ILE H H 20 7.696 7.696 7.994 -0.298 18420
309 1 8 . 1 1 21 21 MET HA H 21 4.315 4.315 4.510 -0.195 18420
310 1 8 . 1 1 21 21 MET H H 21 8.168 8.168 8.211 -0.043 18420
311 1 8 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.817 -0.073 18420
312 1 8 . 1 1 22 22 ASN H H 22 7.905 7.905 7.895 0.010 18420
313 1 9 . 1 1 2 2 ILE HA H 2 4.269 4.269 4.671 -0.402 18420
314 1 9 . 1 1 2 2 ILE H H 2 8.590 8.590 8.522 0.068 18420
315 1 9 . 1 1 3 3 GLY H H 3 8.591 8.591 7.929 0.662 18420
316 1 9 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.624 -0.486 18420
317 1 9 . 1 1 4 4 LYS H H 4 7.854 7.854 8.271 -0.417 18420
318 1 9 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.666 -0.165 18420
319 1 9 . 1 1 5 5 PHE H H 5 7.897 7.897 7.920 -0.023 18420
320 1 9 . 1 1 6 6 LEU HA H 6 4.019 4.019 3.818 0.201 18420
321 1 9 . 1 1 6 6 LEU H H 6 8.056 8.056 7.840 0.216 18420
322 1 9 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.254 0.143 18420
323 1 9 . 1 1 7 7 HIS H H 7 8.196 8.196 8.047 0.149 18420
324 1 9 . 1 1 8 8 SER HA H 8 4.343 4.343 4.557 -0.214 18420
325 1 9 . 1 1 8 8 SER H H 8 8.022 8.022 8.037 -0.015 18420
326 1 9 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.323 -0.240 18420
327 1 9 . 1 1 9 9 ALA H H 9 8.367 8.367 8.052 0.315 18420
328 1 9 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.295 -0.331 18420
329 1 9 . 1 1 10 10 LYS H H 10 8.089 8.089 7.604 0.485 18420
330 1 9 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.147 -0.123 18420
331 1 9 . 1 1 11 11 LYS H H 11 7.659 7.659 7.630 0.029 18420
332 1 9 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.835 -0.376 18420
333 1 9 . 1 1 12 12 PHE H H 12 8.196 8.196 8.443 -0.247 18420
334 1 9 . 1 1 13 13 GLY H H 13 8.713 8.713 8.932 -0.219 18420
335 1 9 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.056 -0.054 18420
336 1 9 . 1 1 14 14 LYS H H 14 8.352 8.352 8.418 -0.066 18420
337 1 9 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.103 0.085 18420
338 1 9 . 1 1 15 15 ALA H H 15 7.747 7.747 7.634 0.113 18420
339 1 9 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.715 -0.417 18420
340 1 9 . 1 1 16 16 PHE H H 16 8.280 8.280 7.811 0.469 18420
341 1 9 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.953 -0.365 18420
342 1 9 . 1 1 17 17 VAL H H 17 8.249 8.249 8.832 -0.583 18420
343 1 9 . 1 1 18 18 GLY H H 18 8.122 8.122 7.934 0.188 18420
344 1 9 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.470 -0.246 18420
345 1 9 . 1 1 19 19 GLU H H 19 7.731 7.731 7.676 0.055 18420
346 1 9 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.763 0.089 18420
347 1 9 . 1 1 20 20 ILE H H 20 7.696 7.696 8.776 -1.080 18420
348 1 9 . 1 1 21 21 MET HA H 21 4.315 4.315 4.290 0.025 18420
349 1 9 . 1 1 21 21 MET H H 21 8.168 8.168 7.856 0.312 18420
350 1 9 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.787 -0.043 18420
351 1 9 . 1 1 22 22 ASN H H 22 7.905 7.905 7.753 0.152 18420
352 1 10 . 1 1 2 2 ILE HA H 2 4.269 4.269 3.817 0.452 18420
353 1 10 . 1 1 2 2 ILE H H 2 8.590 8.590 8.708 -0.118 18420
354 1 10 . 1 1 3 3 GLY H H 3 8.591 8.591 8.713 -0.122 18420
355 1 10 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.590 -0.452 18420
356 1 10 . 1 1 4 4 LYS H H 4 7.854 7.854 8.082 -0.228 18420
357 1 10 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.423 0.078 18420
358 1 10 . 1 1 5 5 PHE H H 5 7.897 7.897 7.739 0.158 18420
359 1 10 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.143 -0.124 18420
360 1 10 . 1 1 6 6 LEU H H 6 8.056 8.056 8.155 -0.099 18420
361 1 10 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.396 0.001 18420
362 1 10 . 1 1 7 7 HIS H H 7 8.196 8.196 7.510 0.686 18420
363 1 10 . 1 1 8 8 SER HA H 8 4.343 4.343 4.264 0.079 18420
364 1 10 . 1 1 8 8 SER H H 8 8.022 8.022 7.533 0.489 18420
365 1 10 . 1 1 9 9 ALA HA H 9 4.083 4.083 3.588 0.495 18420
366 1 10 . 1 1 9 9 ALA H H 9 8.367 8.367 7.709 0.658 18420
367 1 10 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.283 -0.319 18420
368 1 10 . 1 1 10 10 LYS H H 10 8.089 8.089 7.334 0.755 18420
369 1 10 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.156 -0.132 18420
370 1 10 . 1 1 11 11 LYS H H 11 7.659 7.659 7.589 0.070 18420
371 1 10 . 1 1 12 12 PHE HA H 12 4.459 4.459 5.009 -0.550 18420
372 1 10 . 1 1 12 12 PHE H H 12 8.196 8.196 7.583 0.613 18420
373 1 10 . 1 1 13 13 GLY H H 13 8.713 8.713 7.522 1.191 18420
374 1 10 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.197 -0.195 18420
375 1 10 . 1 1 14 14 LYS H H 14 8.352 8.352 8.160 0.192 18420
376 1 10 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.138 0.050 18420
377 1 10 . 1 1 15 15 ALA H H 15 7.747 7.747 8.206 -0.459 18420
378 1 10 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.461 -0.163 18420
379 1 10 . 1 1 16 16 PHE H H 16 8.280 8.280 7.507 0.773 18420
380 1 10 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.999 -0.411 18420
381 1 10 . 1 1 17 17 VAL H H 17 8.249 8.249 8.479 -0.230 18420
382 1 10 . 1 1 18 18 GLY H H 18 8.122 8.122 7.925 0.197 18420
383 1 10 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.500 -0.276 18420
384 1 10 . 1 1 19 19 GLU H H 19 7.731 7.731 7.549 0.182 18420
385 1 10 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.848 0.004 18420
386 1 10 . 1 1 20 20 ILE H H 20 7.696 7.696 8.424 -0.728 18420
387 1 10 . 1 1 21 21 MET HA H 21 4.315 4.315 4.680 -0.365 18420
388 1 10 . 1 1 21 21 MET H H 21 8.168 8.168 7.767 0.401 18420
389 1 10 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.851 -0.107 18420
390 1 10 . 1 1 22 22 ASN H H 22 7.905 7.905 7.848 0.057 18420
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 18420
2 1 1 "Average Difference" HA 24 0.245 0.144 0.203 18420
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18420
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18420
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18420
6 1 1 "Average Difference" HN 21 0.321 -0.074 0.320 18420
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18420
8 1 2 "Average Difference" HA 24 0.232 -0.029 0.235 18420
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18420
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18420
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18420
12 1 2 "Average Difference" HN 21 0.398 -0.164 0.372 18420
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18420
14 1 3 "Average Difference" HA 24 0.181 -0.009 0.184 18420
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18420
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18420
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18420
18 1 3 "Average Difference" HN 21 0.439 -0.277 0.350 18420
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18420
20 1 4 "Average Difference" HA 24 0.183 0.107 0.151 18420
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18420
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18420
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18420
24 1 4 "Average Difference" HN 21 0.359 -0.229 0.283 18420
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18420
26 1 5 "Average Difference" HA 24 0.232 0.013 0.237 18420
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18420
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18420
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18420
30 1 5 "Average Difference" HN 21 0.332 -0.095 0.326 18420
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18420
32 1 6 "Average Difference" HA 24 0.240 0.162 0.181 18420
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18420
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18420
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18420
36 1 6 "Average Difference" HN 21 0.427 -0.045 0.435 18420
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18420
38 1 7 "Average Difference" HA 24 0.247 0.160 0.193 18420
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18420
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18420
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18420
42 1 7 "Average Difference" HN 21 0.398 -0.075 0.400 18420
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18420
44 1 8 "Average Difference" HA 24 0.212 0.068 0.205 18420
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18420
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18420
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18420
48 1 8 "Average Difference" HN 21 0.424 -0.194 0.386 18420
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18420
50 1 9 "Average Difference" HA 24 0.256 0.169 0.197 18420
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18420
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18420
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18420
54 1 9 "Average Difference" HN 21 0.380 -0.027 0.388 18420
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18420
56 1 10 "Average Difference" HA 24 0.318 0.089 0.312 18420
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18420
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18420
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18420
60 1 10 "Average Difference" HN 21 0.502 -0.211 0.466 18420
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 18420
_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 ILE HA H 2 4.269 4.269 4.264 0.005 18420
2 1 . 1 1 2 2 ILE H H 2 8.590 8.590 8.480 0.110 18420
3 1 . 1 1 3 3 GLY H H 3 8.591 8.591 8.411 0.180 18420
4 1 . 1 1 4 4 LYS HA H 4 4.138 4.138 4.488 -0.350 18420
5 1 . 1 1 4 4 LYS H H 4 7.854 7.854 8.051 -0.197 18420
6 1 . 1 1 5 5 PHE HA H 5 4.501 4.501 4.456 0.045 18420
7 1 . 1 1 5 5 PHE H H 5 7.897 7.897 8.042 -0.145 18420
8 1 . 1 1 6 6 LEU HA H 6 4.019 4.019 4.175 -0.157 18420
9 1 . 1 1 6 6 LEU H H 6 8.056 8.056 7.902 0.154 18420
10 1 . 1 1 7 7 HIS HA H 7 4.397 4.397 4.341 0.056 18420
11 1 . 1 1 7 7 HIS H H 7 8.196 8.196 7.702 0.494 18420
12 1 . 1 1 8 8 SER HA H 8 4.343 4.343 4.420 -0.077 18420
13 1 . 1 1 8 8 SER H H 8 8.022 8.022 7.933 0.089 18420
14 1 . 1 1 9 9 ALA HA H 9 4.083 4.083 4.063 0.020 18420
15 1 . 1 1 9 9 ALA H H 9 8.367 8.367 7.911 0.456 18420
16 1 . 1 1 10 10 LYS HA H 10 3.964 3.964 4.351 -0.387 18420
17 1 . 1 1 10 10 LYS H H 10 8.089 8.089 7.504 0.585 18420
18 1 . 1 1 11 11 LYS HA H 11 4.024 4.024 4.243 -0.219 18420
19 1 . 1 1 11 11 LYS H H 11 7.659 7.659 7.756 -0.097 18420
20 1 . 1 1 12 12 PHE HA H 12 4.459 4.459 4.752 -0.293 18420
21 1 . 1 1 12 12 PHE H H 12 8.196 8.196 8.086 0.110 18420
22 1 . 1 1 13 13 GLY H H 13 8.713 8.713 8.338 0.376 18420
23 1 . 1 1 14 14 LYS HA H 14 4.002 4.002 4.074 -0.072 18420
24 1 . 1 1 14 14 LYS H H 14 8.352 8.352 8.186 0.166 18420
25 1 . 1 1 15 15 ALA HA H 15 4.188 4.188 4.191 -0.003 18420
26 1 . 1 1 15 15 ALA H H 15 7.747 7.747 7.640 0.107 18420
27 1 . 1 1 16 16 PHE HA H 16 4.298 4.298 4.453 -0.155 18420
28 1 . 1 1 16 16 PHE H H 16 8.280 8.280 7.726 0.554 18420
29 1 . 1 1 17 17 VAL HA H 17 3.588 3.588 3.827 -0.239 18420
30 1 . 1 1 17 17 VAL H H 17 8.249 8.249 8.551 -0.302 18420
31 1 . 1 1 18 18 GLY H H 18 8.122 8.122 7.959 0.163 18420
32 1 . 1 1 19 19 GLU HA H 19 4.224 4.224 4.375 -0.151 18420
33 1 . 1 1 19 19 GLU H H 19 7.731 7.731 7.514 0.217 18420
34 1 . 1 1 20 20 ILE HA H 20 3.852 3.852 3.858 -0.006 18420
35 1 . 1 1 20 20 ILE H H 20 7.696 7.696 8.042 -0.346 18420
36 1 . 1 1 21 21 MET HA H 21 4.315 4.315 4.410 -0.095 18420
37 1 . 1 1 21 21 MET H H 21 8.168 8.168 7.843 0.325 18420
38 1 . 1 1 22 22 ASN HA H 22 4.744 4.744 4.827 -0.083 18420
39 1 . 1 1 22 22 ASN H H 22 7.905 7.905 7.986 -0.081 18420
stop_
save_