data_18014
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 18014
_Entry.PDB_ID 2LKW
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 18014
_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 GLN HA H 2 4.248 4.248 4.546 -0.298 18014
2 1 1 . 1 1 2 2 GLN H H 2 8.473 8.473 8.206 0.267 18014
3 1 1 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.921 0.299 18014
4 1 1 . 1 1 3 3 ARG H H 3 8.504 8.504 8.083 0.421 18014
5 1 1 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.881 -0.181 18014
6 1 1 . 1 1 4 4 HIS H H 4 8.674 8.674 8.174 0.500 18014
7 1 1 . 1 1 5 5 SER HA H 5 4.411 4.411 4.400 0.011 18014
8 1 1 . 1 1 5 5 SER H H 5 8.495 8.495 8.440 0.055 18014
9 1 1 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.994 0.171 18014
10 1 1 . 1 1 6 6 ILE H H 6 8.424 8.424 8.199 0.225 18014
11 1 1 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.212 -0.197 18014
12 1 1 . 1 1 7 7 VAL H H 7 8.366 8.366 8.371 -0.005 18014
13 1 1 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.678 -0.133 18014
14 1 1 . 1 1 8 8 GLN H H 8 8.653 8.653 8.628 0.025 18014
15 1 1 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.654 0.003 18014
16 1 1 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.562 -0.208 18014
17 1 1 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.616 -0.095 18014
18 1 1 . 1 1 11 11 ALA H H 11 8.466 8.466 8.399 0.067 18014
19 1 1 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.790 -0.123 18014
20 1 1 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.522 0.135 18014
21 1 1 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.525 -0.186 18014
22 1 1 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.652 -0.114 18014
23 1 1 . 1 1 15 15 ASN H H 15 8.482 8.482 8.525 -0.043 18014
24 1 1 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.128 0.053 18014
25 1 1 . 1 1 16 16 ALA H H 16 8.281 8.281 8.046 0.235 18014
26 1 1 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.337 0.190 18014
27 1 1 . 1 1 17 17 PHE H H 17 8.266 8.266 6.769 1.497 18014
28 1 1 . 1 1 18 18 VAL HA H 18 3.950 3.950 3.761 0.189 18014
29 1 1 . 1 1 18 18 VAL H H 18 7.923 7.923 8.399 -0.476 18014
30 1 1 . 1 1 19 19 GLU HA H 19 4.280 4.280 3.927 0.353 18014
31 1 1 . 1 1 19 19 GLU H H 19 8.433 8.433 8.848 -0.415 18014
32 1 2 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.391 -0.143 18014
33 1 2 . 1 1 2 2 GLN H H 2 8.473 8.473 8.301 0.172 18014
34 1 2 . 1 1 3 3 ARG HA H 3 4.220 4.220 4.453 -0.233 18014
35 1 2 . 1 1 3 3 ARG H H 3 8.504 8.504 7.988 0.516 18014
36 1 2 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.763 -0.063 18014
37 1 2 . 1 1 4 4 HIS H H 4 8.674 8.674 8.638 0.036 18014
38 1 2 . 1 1 5 5 SER HA H 5 4.411 4.411 4.442 -0.031 18014
39 1 2 . 1 1 5 5 SER H H 5 8.495 8.495 8.174 0.321 18014
40 1 2 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.724 0.441 18014
41 1 2 . 1 1 6 6 ILE H H 6 8.424 8.424 8.091 0.333 18014
42 1 2 . 1 1 7 7 VAL HA H 7 4.015 4.015 3.789 0.226 18014
43 1 2 . 1 1 7 7 VAL H H 7 8.366 8.366 7.801 0.565 18014
44 1 2 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.800 -0.255 18014
45 1 2 . 1 1 8 8 GLN H H 8 8.653 8.653 8.387 0.266 18014
46 1 2 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.668 -0.011 18014
47 1 2 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.569 -0.215 18014
48 1 2 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.621 -0.100 18014
49 1 2 . 1 1 11 11 ALA H H 11 8.466 8.466 8.405 0.061 18014
50 1 2 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.797 -0.130 18014
51 1 2 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.520 0.137 18014
52 1 2 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.512 -0.173 18014
53 1 2 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.394 0.144 18014
54 1 2 . 1 1 15 15 ASN H H 15 8.482 8.482 8.519 -0.037 18014
55 1 2 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.337 -0.156 18014
56 1 2 . 1 1 16 16 ALA H H 16 8.281 8.281 8.319 -0.038 18014
57 1 2 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.426 0.101 18014
58 1 2 . 1 1 17 17 PHE H H 17 8.266 8.266 6.761 1.505 18014
59 1 2 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.332 -0.382 18014
60 1 2 . 1 1 18 18 VAL H H 18 7.923 7.923 8.273 -0.350 18014
61 1 2 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.801 -0.521 18014
62 1 2 . 1 1 19 19 GLU H H 19 8.433 8.433 8.442 -0.009 18014
63 1 3 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.477 -0.229 18014
64 1 3 . 1 1 2 2 GLN H H 2 8.473 8.473 8.522 -0.049 18014
65 1 3 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.863 0.357 18014
66 1 3 . 1 1 3 3 ARG H H 3 8.504 8.504 8.022 0.482 18014
67 1 3 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.710 -0.010 18014
68 1 3 . 1 1 4 4 HIS H H 4 8.674 8.674 8.128 0.546 18014
69 1 3 . 1 1 5 5 SER HA H 5 4.411 4.411 4.435 -0.024 18014
70 1 3 . 1 1 5 5 SER H H 5 8.495 8.495 8.477 0.018 18014
71 1 3 . 1 1 6 6 ILE HA H 6 4.165 4.165 4.021 0.144 18014
72 1 3 . 1 1 6 6 ILE H H 6 8.424 8.424 8.305 0.119 18014
73 1 3 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.179 -0.164 18014
74 1 3 . 1 1 7 7 VAL H H 7 8.366 8.366 8.579 -0.213 18014
75 1 3 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.680 -0.135 18014
76 1 3 . 1 1 8 8 GLN H H 8 8.653 8.653 8.105 0.548 18014
77 1 3 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.660 -0.003 18014
78 1 3 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.569 -0.215 18014
79 1 3 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.621 -0.100 18014
80 1 3 . 1 1 11 11 ALA H H 11 8.466 8.466 8.406 0.060 18014
81 1 3 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.811 -0.144 18014
82 1 3 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.551 0.106 18014
83 1 3 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.559 -0.220 18014
84 1 3 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.644 -0.106 18014
85 1 3 . 1 1 15 15 ASN H H 15 8.482 8.482 8.569 -0.087 18014
86 1 3 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.309 -0.128 18014
87 1 3 . 1 1 16 16 ALA H H 16 8.281 8.281 8.670 -0.389 18014
88 1 3 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.744 -0.217 18014
89 1 3 . 1 1 17 17 PHE H H 17 8.266 8.266 7.891 0.375 18014
90 1 3 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.436 -0.486 18014
91 1 3 . 1 1 18 18 VAL H H 18 7.923 7.923 8.474 -0.551 18014
92 1 3 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.153 0.127 18014
93 1 3 . 1 1 19 19 GLU H H 19 8.433 8.433 8.683 -0.250 18014
94 1 4 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.433 -0.185 18014
95 1 4 . 1 1 2 2 GLN H H 2 8.473 8.473 8.054 0.419 18014
96 1 4 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.906 0.314 18014
97 1 4 . 1 1 3 3 ARG H H 3 8.504 8.504 8.377 0.127 18014
98 1 4 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.182 0.518 18014
99 1 4 . 1 1 4 4 HIS H H 4 8.674 8.674 7.583 1.091 18014
100 1 4 . 1 1 5 5 SER HA H 5 4.411 4.411 4.522 -0.111 18014
101 1 4 . 1 1 5 5 SER H H 5 8.495 8.495 8.497 -0.002 18014
102 1 4 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.767 0.398 18014
103 1 4 . 1 1 6 6 ILE H H 6 8.424 8.424 7.953 0.471 18014
104 1 4 . 1 1 7 7 VAL HA H 7 4.015 4.015 3.850 0.165 18014
105 1 4 . 1 1 7 7 VAL H H 7 8.366 8.366 7.820 0.546 18014
106 1 4 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.813 -0.268 18014
107 1 4 . 1 1 8 8 GLN H H 8 8.653 8.653 8.424 0.229 18014
108 1 4 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.683 -0.026 18014
109 1 4 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.576 -0.222 18014
110 1 4 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.628 -0.107 18014
111 1 4 . 1 1 11 11 ALA H H 11 8.466 8.466 8.408 0.058 18014
112 1 4 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.796 -0.129 18014
113 1 4 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.545 0.112 18014
114 1 4 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.499 -0.160 18014
115 1 4 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.554 -0.016 18014
116 1 4 . 1 1 15 15 ASN H H 15 8.482 8.482 8.776 -0.294 18014
117 1 4 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.526 -0.345 18014
118 1 4 . 1 1 16 16 ALA H H 16 8.281 8.281 8.747 -0.466 18014
119 1 4 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.737 -0.210 18014
120 1 4 . 1 1 17 17 PHE H H 17 8.266 8.266 8.308 -0.042 18014
121 1 4 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.372 -0.422 18014
122 1 4 . 1 1 18 18 VAL H H 18 7.923 7.923 8.398 -0.475 18014
123 1 4 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.484 -0.204 18014
124 1 4 . 1 1 19 19 GLU H H 19 8.433 8.433 8.581 -0.148 18014
125 1 5 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.679 -0.431 18014
126 1 5 . 1 1 2 2 GLN H H 2 8.473 8.473 8.435 0.038 18014
127 1 5 . 1 1 3 3 ARG HA H 3 4.220 4.220 4.273 -0.053 18014
128 1 5 . 1 1 3 3 ARG H H 3 8.504 8.504 8.493 0.011 18014
129 1 5 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.300 0.400 18014
130 1 5 . 1 1 4 4 HIS H H 4 8.674 8.674 8.713 -0.039 18014
131 1 5 . 1 1 5 5 SER HA H 5 4.411 4.411 4.531 -0.120 18014
132 1 5 . 1 1 5 5 SER H H 5 8.495 8.495 8.272 0.223 18014
133 1 5 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.883 0.282 18014
134 1 5 . 1 1 6 6 ILE H H 6 8.424 8.424 8.162 0.262 18014
135 1 5 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.385 -0.370 18014
136 1 5 . 1 1 7 7 VAL H H 7 8.366 8.366 8.386 -0.020 18014
137 1 5 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.745 -0.200 18014
138 1 5 . 1 1 8 8 GLN H H 8 8.653 8.653 8.200 0.453 18014
139 1 5 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.700 -0.043 18014
140 1 5 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.567 -0.213 18014
141 1 5 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.622 -0.101 18014
142 1 5 . 1 1 11 11 ALA H H 11 8.466 8.466 8.403 0.063 18014
143 1 5 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.789 -0.122 18014
144 1 5 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.518 0.139 18014
145 1 5 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.431 -0.092 18014
146 1 5 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.431 0.107 18014
147 1 5 . 1 1 15 15 ASN H H 15 8.482 8.482 8.529 -0.047 18014
148 1 5 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.176 0.005 18014
149 1 5 . 1 1 16 16 ALA H H 16 8.281 8.281 8.299 -0.018 18014
150 1 5 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.096 0.431 18014
151 1 5 . 1 1 17 17 PHE H H 17 8.266 8.266 7.132 1.134 18014
152 1 5 . 1 1 18 18 VAL HA H 18 3.950 3.950 3.802 0.148 18014
153 1 5 . 1 1 18 18 VAL H H 18 7.923 7.923 8.373 -0.450 18014
154 1 5 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.365 -0.085 18014
155 1 5 . 1 1 19 19 GLU H H 19 8.433 8.433 8.583 -0.150 18014
156 1 6 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.628 -0.380 18014
157 1 6 . 1 1 2 2 GLN H H 2 8.473 8.473 7.858 0.615 18014
158 1 6 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.970 0.250 18014
159 1 6 . 1 1 3 3 ARG H H 3 8.504 8.504 8.493 0.011 18014
160 1 6 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.782 -0.082 18014
161 1 6 . 1 1 4 4 HIS H H 4 8.674 8.674 8.485 0.189 18014
162 1 6 . 1 1 5 5 SER HA H 5 4.411 4.411 4.647 -0.236 18014
163 1 6 . 1 1 5 5 SER H H 5 8.495 8.495 8.596 -0.101 18014
164 1 6 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.823 0.342 18014
165 1 6 . 1 1 6 6 ILE H H 6 8.424 8.424 8.809 -0.385 18014
166 1 6 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.201 -0.186 18014
167 1 6 . 1 1 7 7 VAL H H 7 8.366 8.366 7.747 0.619 18014
168 1 6 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.679 -0.134 18014
169 1 6 . 1 1 8 8 GLN H H 8 8.653 8.653 7.805 0.848 18014
170 1 6 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.627 0.030 18014
171 1 6 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.571 -0.217 18014
172 1 6 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.624 -0.103 18014
173 1 6 . 1 1 11 11 ALA H H 11 8.466 8.466 8.411 0.055 18014
174 1 6 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.800 -0.133 18014
175 1 6 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.558 0.099 18014
176 1 6 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.564 -0.225 18014
177 1 6 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.681 -0.143 18014
178 1 6 . 1 1 15 15 ASN H H 15 8.482 8.482 8.332 0.150 18014
179 1 6 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.523 -0.342 18014
180 1 6 . 1 1 16 16 ALA H H 16 8.281 8.281 8.652 -0.371 18014
181 1 6 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.572 -0.045 18014
182 1 6 . 1 1 17 17 PHE H H 17 8.266 8.266 8.267 -0.001 18014
183 1 6 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.334 -0.384 18014
184 1 6 . 1 1 18 18 VAL H H 18 7.923 7.923 7.766 0.157 18014
185 1 6 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.639 -0.359 18014
186 1 6 . 1 1 19 19 GLU H H 19 8.433 8.433 8.260 0.173 18014
187 1 7 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.561 -0.313 18014
188 1 7 . 1 1 2 2 GLN H H 2 8.473 8.473 8.043 0.430 18014
189 1 7 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.978 0.242 18014
190 1 7 . 1 1 3 3 ARG H H 3 8.504 8.504 8.380 0.124 18014
191 1 7 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.393 0.307 18014
192 1 7 . 1 1 4 4 HIS H H 4 8.674 8.674 8.427 0.247 18014
193 1 7 . 1 1 5 5 SER HA H 5 4.411 4.411 4.234 0.177 18014
194 1 7 . 1 1 5 5 SER H H 5 8.495 8.495 8.580 -0.085 18014
195 1 7 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.465 0.700 18014
196 1 7 . 1 1 6 6 ILE H H 6 8.424 8.424 7.563 0.861 18014
197 1 7 . 1 1 7 7 VAL HA H 7 4.015 4.015 3.908 0.107 18014
198 1 7 . 1 1 7 7 VAL H H 7 8.366 8.366 7.745 0.621 18014
199 1 7 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.619 -0.074 18014
200 1 7 . 1 1 8 8 GLN H H 8 8.653 8.653 8.607 0.046 18014
201 1 7 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.612 0.045 18014
202 1 7 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.574 -0.220 18014
203 1 7 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.625 -0.104 18014
204 1 7 . 1 1 11 11 ALA H H 11 8.466 8.466 8.407 0.059 18014
205 1 7 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.795 -0.128 18014
206 1 7 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.523 0.134 18014
207 1 7 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.471 -0.132 18014
208 1 7 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.414 0.124 18014
209 1 7 . 1 1 15 15 ASN H H 15 8.482 8.482 8.150 0.332 18014
210 1 7 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.452 -0.271 18014
211 1 7 . 1 1 16 16 ALA H H 16 8.281 8.281 8.320 -0.039 18014
212 1 7 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.110 0.417 18014
213 1 7 . 1 1 17 17 PHE H H 17 8.266 8.266 7.507 0.759 18014
214 1 7 . 1 1 18 18 VAL HA H 18 3.950 3.950 3.620 0.330 18014
215 1 7 . 1 1 18 18 VAL H H 18 7.923 7.923 8.635 -0.712 18014
216 1 7 . 1 1 19 19 GLU HA H 19 4.280 4.280 3.955 0.325 18014
217 1 7 . 1 1 19 19 GLU H H 19 8.433 8.433 8.705 -0.272 18014
218 1 8 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.507 -0.259 18014
219 1 8 . 1 1 2 2 GLN H H 2 8.473 8.473 8.789 -0.316 18014
220 1 8 . 1 1 3 3 ARG HA H 3 4.220 4.220 3.992 0.228 18014
221 1 8 . 1 1 3 3 ARG H H 3 8.504 8.504 8.208 0.296 18014
222 1 8 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.786 -0.086 18014
223 1 8 . 1 1 4 4 HIS H H 4 8.674 8.674 7.801 0.873 18014
224 1 8 . 1 1 5 5 SER HA H 5 4.411 4.411 4.632 -0.221 18014
225 1 8 . 1 1 5 5 SER H H 5 8.495 8.495 8.222 0.273 18014
226 1 8 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.786 0.379 18014
227 1 8 . 1 1 6 6 ILE H H 6 8.424 8.424 8.324 0.100 18014
228 1 8 . 1 1 7 7 VAL HA H 7 4.015 4.015 3.903 0.112 18014
229 1 8 . 1 1 7 7 VAL H H 7 8.366 8.366 7.909 0.457 18014
230 1 8 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.700 -0.155 18014
231 1 8 . 1 1 8 8 GLN H H 8 8.653 8.653 8.462 0.191 18014
232 1 8 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.654 0.003 18014
233 1 8 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.571 -0.217 18014
234 1 8 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.629 -0.108 18014
235 1 8 . 1 1 11 11 ALA H H 11 8.466 8.466 8.407 0.059 18014
236 1 8 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.795 -0.128 18014
237 1 8 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.543 0.114 18014
238 1 8 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.498 -0.159 18014
239 1 8 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.618 -0.080 18014
240 1 8 . 1 1 15 15 ASN H H 15 8.482 8.482 8.594 -0.112 18014
241 1 8 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.466 -0.285 18014
242 1 8 . 1 1 16 16 ALA H H 16 8.281 8.281 8.619 -0.338 18014
243 1 8 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.549 -0.022 18014
244 1 8 . 1 1 17 17 PHE H H 17 8.266 8.266 8.025 0.241 18014
245 1 8 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.433 -0.483 18014
246 1 8 . 1 1 18 18 VAL H H 18 7.923 7.923 7.799 0.124 18014
247 1 8 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.310 -0.030 18014
248 1 8 . 1 1 19 19 GLU H H 19 8.433 8.433 8.980 -0.547 18014
249 1 9 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.533 -0.285 18014
250 1 9 . 1 1 2 2 GLN H H 2 8.473 8.473 8.040 0.433 18014
251 1 9 . 1 1 3 3 ARG HA H 3 4.220 4.220 4.105 0.115 18014
252 1 9 . 1 1 3 3 ARG H H 3 8.504 8.504 8.840 -0.336 18014
253 1 9 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.733 -0.033 18014
254 1 9 . 1 1 4 4 HIS H H 4 8.674 8.674 8.073 0.601 18014
255 1 9 . 1 1 5 5 SER HA H 5 4.411 4.411 4.545 -0.134 18014
256 1 9 . 1 1 5 5 SER H H 5 8.495 8.495 7.993 0.502 18014
257 1 9 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.856 0.309 18014
258 1 9 . 1 1 6 6 ILE H H 6 8.424 8.424 8.319 0.105 18014
259 1 9 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.294 -0.279 18014
260 1 9 . 1 1 7 7 VAL H H 7 8.366 8.366 8.487 -0.121 18014
261 1 9 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.643 -0.098 18014
262 1 9 . 1 1 8 8 GLN H H 8 8.653 8.653 7.759 0.894 18014
263 1 9 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.641 0.016 18014
264 1 9 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.534 -0.180 18014
265 1 9 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.623 -0.102 18014
266 1 9 . 1 1 11 11 ALA H H 11 8.466 8.466 8.403 0.063 18014
267 1 9 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.797 -0.130 18014
268 1 9 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.531 0.126 18014
269 1 9 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.523 -0.184 18014
270 1 9 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.450 0.088 18014
271 1 9 . 1 1 15 15 ASN H H 15 8.482 8.482 8.478 0.004 18014
272 1 9 . 1 1 16 16 ALA HA H 16 4.181 4.181 3.830 0.351 18014
273 1 9 . 1 1 16 16 ALA H H 16 8.281 8.281 8.418 -0.137 18014
274 1 9 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.104 0.423 18014
275 1 9 . 1 1 17 17 PHE H H 17 8.266 8.266 7.313 0.953 18014
276 1 9 . 1 1 18 18 VAL HA H 18 3.950 3.950 3.785 0.165 18014
277 1 9 . 1 1 18 18 VAL H H 18 7.923 7.923 8.366 -0.443 18014
278 1 9 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.168 0.112 18014
279 1 9 . 1 1 19 19 GLU H H 19 8.433 8.433 8.326 0.107 18014
280 1 10 . 1 1 2 2 GLN HA H 2 4.248 4.248 4.401 -0.153 18014
281 1 10 . 1 1 2 2 GLN H H 2 8.473 8.473 8.492 -0.019 18014
282 1 10 . 1 1 3 3 ARG HA H 3 4.220 4.220 4.127 0.093 18014
283 1 10 . 1 1 3 3 ARG H H 3 8.504 8.504 8.070 0.434 18014
284 1 10 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.343 0.357 18014
285 1 10 . 1 1 4 4 HIS H H 4 8.674 8.674 8.481 0.193 18014
286 1 10 . 1 1 5 5 SER HA H 5 4.411 4.411 4.324 0.087 18014
287 1 10 . 1 1 5 5 SER H H 5 8.495 8.495 8.250 0.245 18014
288 1 10 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.639 0.526 18014
289 1 10 . 1 1 6 6 ILE H H 6 8.424 8.424 7.174 1.250 18014
290 1 10 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.123 -0.108 18014
291 1 10 . 1 1 7 7 VAL H H 7 8.366 8.366 8.549 -0.183 18014
292 1 10 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.664 -0.119 18014
293 1 10 . 1 1 8 8 GLN H H 8 8.653 8.653 8.165 0.488 18014
294 1 10 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.662 -0.005 18014
295 1 10 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.539 -0.185 18014
296 1 10 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.626 -0.105 18014
297 1 10 . 1 1 11 11 ALA H H 11 8.466 8.466 8.405 0.061 18014
298 1 10 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.792 -0.125 18014
299 1 10 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.528 0.129 18014
300 1 10 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.474 -0.135 18014
301 1 10 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.474 0.064 18014
302 1 10 . 1 1 15 15 ASN H H 15 8.482 8.482 8.194 0.288 18014
303 1 10 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.429 -0.248 18014
304 1 10 . 1 1 16 16 ALA H H 16 8.281 8.281 8.468 -0.187 18014
305 1 10 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.113 0.414 18014
306 1 10 . 1 1 17 17 PHE H H 17 8.266 8.266 7.455 0.811 18014
307 1 10 . 1 1 18 18 VAL HA H 18 3.950 3.950 3.745 0.205 18014
308 1 10 . 1 1 18 18 VAL H H 18 7.923 7.923 8.306 -0.383 18014
309 1 10 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.158 0.122 18014
310 1 10 . 1 1 19 19 GLU H H 19 8.433 8.433 8.163 0.270 18014
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 18014
2 1 1 "Average Difference" HA 18 0.187 0.007 0.192 18014
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18014
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18014
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18014
6 1 1 "Average Difference" HN 13 0.500 -0.181 0.485 18014
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18014
8 1 2 "Average Difference" HA 18 0.234 0.076 0.228 18014
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18014
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18014
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18014
12 1 2 "Average Difference" HN 13 0.503 -0.257 0.451 18014
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18014
14 1 3 "Average Difference" HA 18 0.199 0.080 0.187 18014
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18014
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18014
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18014
18 1 3 "Average Difference" HN 13 0.347 -0.047 0.357 18014
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18014
20 1 4 "Average Difference" HA 18 0.255 0.050 0.257 18014
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18014
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18014
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18014
24 1 4 "Average Difference" HN 13 0.440 -0.117 0.441 18014
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18014
26 1 5 "Average Difference" HA 18 0.229 0.018 0.235 18014
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18014
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18014
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18014
30 1 5 "Average Difference" HN 13 0.377 -0.112 0.374 18014
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18014
32 1 6 "Average Difference" HA 18 0.235 0.125 0.205 18014
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18014
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18014
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18014
36 1 6 "Average Difference" HN 13 0.382 -0.151 0.365 18014
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18014
38 1 7 "Average Difference" HA 18 0.277 -0.092 0.269 18014
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18014
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18014
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18014
42 1 7 "Average Difference" HN 13 0.453 -0.182 0.432 18014
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18014
44 1 8 "Average Difference" HA 18 0.210 0.078 0.200 18014
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18014
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18014
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18014
48 1 8 "Average Difference" HN 13 0.370 -0.100 0.371 18014
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18014
50 1 9 "Average Difference" HA 18 0.205 -0.016 0.210 18014
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18014
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18014
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18014
54 1 9 "Average Difference" HN 13 0.470 -0.202 0.442 18014
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18014
56 1 10 "Average Difference" HA 18 0.218 -0.045 0.220 18014
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18014
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18014
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18014
60 1 10 "Average Difference" HN 13 0.490 -0.251 0.438 18014
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 18014
_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 GLN HA H 2 4.248 4.248 4.516 -0.268 18014
2 1 . 1 1 2 2 GLN H H 2 8.473 8.473 8.274 0.199 18014
3 1 . 1 1 3 3 ARG HA H 3 4.220 4.220 4.059 0.161 18014
4 1 . 1 1 3 3 ARG H H 3 8.504 8.504 8.295 0.209 18014
5 1 . 1 1 4 4 HIS HA H 4 4.700 4.700 4.587 0.113 18014
6 1 . 1 1 4 4 HIS H H 4 8.674 8.674 8.250 0.424 18014
7 1 . 1 1 5 5 SER HA H 5 4.411 4.411 4.471 -0.060 18014
8 1 . 1 1 5 5 SER H H 5 8.495 8.495 8.350 0.145 18014
9 1 . 1 1 6 6 ILE HA H 6 4.165 4.165 3.796 0.369 18014
10 1 . 1 1 6 6 ILE H H 6 8.424 8.424 8.090 0.334 18014
11 1 . 1 1 7 7 VAL HA H 7 4.015 4.015 4.084 -0.069 18014
12 1 . 1 1 7 7 VAL H H 7 8.366 8.366 8.139 0.227 18014
13 1 . 1 1 8 8 GLN HA H 8 4.545 4.545 4.702 -0.157 18014
14 1 . 1 1 8 8 GLN H H 8 8.653 8.653 8.254 0.399 18014
15 1 . 1 1 9 9 PRO HA H 9 4.657 4.657 4.656 0.001 18014
16 1 . 1 1 10 10 PRO HA H 10 4.354 4.354 4.563 -0.209 18014
17 1 . 1 1 11 11 ALA HA H 11 4.521 4.521 4.623 -0.102 18014
18 1 . 1 1 11 11 ALA H H 11 8.466 8.466 8.405 0.061 18014
19 1 . 1 1 12 12 PRO HA H 12 4.667 4.667 4.796 -0.129 18014
20 1 . 1 1 13 13 PRO HA H 13 4.657 4.657 4.534 0.123 18014
21 1 . 1 1 14 14 PRO HA H 14 4.339 4.339 4.506 -0.167 18014
22 1 . 1 1 15 15 ASN HA H 15 4.538 4.538 4.531 0.007 18014
23 1 . 1 1 15 15 ASN H H 15 8.482 8.482 8.467 0.015 18014
24 1 . 1 1 16 16 ALA HA H 16 4.181 4.181 4.318 -0.137 18014
25 1 . 1 1 16 16 ALA H H 16 8.281 8.281 8.456 -0.175 18014
26 1 . 1 1 17 17 PHE HA H 17 4.527 4.527 4.379 0.148 18014
27 1 . 1 1 17 17 PHE H H 17 8.266 8.266 7.543 0.723 18014
28 1 . 1 1 18 18 VAL HA H 18 3.950 3.950 4.062 -0.112 18014
29 1 . 1 1 18 18 VAL H H 18 7.923 7.923 8.279 -0.356 18014
30 1 . 1 1 19 19 GLU HA H 19 4.280 4.280 4.296 -0.016 18014
31 1 . 1 1 19 19 GLU H H 19 8.433 8.433 8.557 -0.124 18014
stop_
save_