data_19457
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19457
_Entry.PDB_ID 2MCX
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 19457
_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 N N 2 82.000 82.000 121.024 -39.024 19457
2 1 1 . 1 1 3 3 HIS N N 3 62.500 62.500 117.751 -55.251 19457
3 1 1 . 1 1 4 4 HIS N N 4 71.500 71.500 117.965 -46.465 19457
4 1 1 . 1 1 5 5 ILE N N 5 51.300 51.300 119.744 -68.444 19457
5 1 1 . 1 1 6 6 PHE N N 6 67.400 67.400 120.366 -52.966 19457
6 1 1 . 1 1 7 7 ARG N N 7 41.500 41.500 118.738 -77.238 19457
7 1 1 . 1 1 8 8 GLY N N 8 47.100 47.100 107.971 -60.871 19457
8 1 1 . 1 1 9 9 ILE N N 9 51.800 51.800 122.780 -70.980 19457
9 1 1 . 1 1 10 10 VAL N N 10 44.200 44.200 119.483 -75.283 19457
10 1 1 . 1 1 11 11 HIS N N 11 61.500 61.500 120.434 -58.934 19457
11 1 1 . 1 1 12 12 ALA N N 12 51.400 51.400 119.481 -68.081 19457
12 1 1 . 1 1 13 13 GLY N N 13 54.600 54.600 107.030 -52.430 19457
13 1 1 . 1 1 14 14 ARG N N 14 50.300 50.300 121.924 -71.624 19457
14 1 1 . 1 1 15 15 SER N N 15 65.600 65.600 115.477 -49.877 19457
15 1 1 . 1 1 16 16 ILE N N 16 36.500 36.500 121.636 -85.136 19457
16 1 1 . 1 1 17 17 GLY N N 17 41.800 41.800 107.122 -65.322 19457
17 1 1 . 1 1 18 18 ARG N N 18 57.800 57.800 122.844 -65.044 19457
18 1 1 . 1 1 19 19 PHE N N 19 58.600 58.600 117.982 -59.382 19457
19 1 1 . 1 1 20 20 LEU N N 20 50.000 50.000 119.119 -69.119 19457
20 1 1 . 1 1 21 21 THR N N 21 41.100 41.100 113.049 -71.949 19457
21 1 2 . 1 1 2 2 ILE N N 2 82.000 82.000 120.451 -38.451 19457
22 1 2 . 1 1 3 3 HIS N N 3 62.500 62.500 117.938 -55.438 19457
23 1 2 . 1 1 4 4 HIS N N 4 71.500 71.500 118.296 -46.796 19457
24 1 2 . 1 1 5 5 ILE N N 5 51.300 51.300 119.501 -68.201 19457
25 1 2 . 1 1 6 6 PHE N N 6 67.400 67.400 118.760 -51.360 19457
26 1 2 . 1 1 7 7 ARG N N 7 41.500 41.500 120.308 -78.808 19457
27 1 2 . 1 1 8 8 GLY N N 8 47.100 47.100 106.949 -59.849 19457
28 1 2 . 1 1 9 9 ILE N N 9 51.800 51.800 122.567 -70.767 19457
29 1 2 . 1 1 10 10 VAL N N 10 44.200 44.200 120.210 -76.010 19457
30 1 2 . 1 1 11 11 HIS N N 11 61.500 61.500 118.950 -57.450 19457
31 1 2 . 1 1 12 12 ALA N N 12 51.400 51.400 120.775 -69.375 19457
32 1 2 . 1 1 13 13 GLY N N 13 54.600 54.600 106.606 -52.006 19457
33 1 2 . 1 1 14 14 ARG N N 14 50.300 50.300 122.507 -72.207 19457
34 1 2 . 1 1 15 15 SER N N 15 65.600 65.600 115.799 -50.199 19457
35 1 2 . 1 1 16 16 ILE N N 16 36.500 36.500 121.820 -85.320 19457
36 1 2 . 1 1 17 17 GLY N N 17 41.800 41.800 107.286 -65.486 19457
37 1 2 . 1 1 18 18 ARG N N 18 57.800 57.800 123.273 -65.473 19457
38 1 2 . 1 1 19 19 PHE N N 19 58.600 58.600 120.946 -62.346 19457
39 1 2 . 1 1 20 20 LEU N N 20 50.000 50.000 118.994 -68.994 19457
40 1 2 . 1 1 21 21 THR N N 21 41.100 41.100 113.917 -72.817 19457
41 1 3 . 1 1 2 2 ILE N N 2 82.000 82.000 122.263 -40.263 19457
42 1 3 . 1 1 3 3 HIS N N 3 62.500 62.500 116.492 -53.992 19457
43 1 3 . 1 1 4 4 HIS N N 4 71.500 71.500 120.011 -48.511 19457
44 1 3 . 1 1 5 5 ILE N N 5 51.300 51.300 118.969 -67.669 19457
45 1 3 . 1 1 6 6 PHE N N 6 67.400 67.400 118.541 -51.141 19457
46 1 3 . 1 1 7 7 ARG N N 7 41.500 41.500 119.053 -77.553 19457
47 1 3 . 1 1 8 8 GLY N N 8 47.100 47.100 107.803 -60.703 19457
48 1 3 . 1 1 9 9 ILE N N 9 51.800 51.800 121.846 -70.046 19457
49 1 3 . 1 1 10 10 VAL N N 10 44.200 44.200 120.468 -76.268 19457
50 1 3 . 1 1 11 11 HIS N N 11 61.500 61.500 118.645 -57.145 19457
51 1 3 . 1 1 12 12 ALA N N 12 51.400 51.400 121.452 -70.052 19457
52 1 3 . 1 1 13 13 GLY N N 13 54.600 54.600 106.485 -51.885 19457
53 1 3 . 1 1 14 14 ARG N N 14 50.300 50.300 122.821 -72.521 19457
54 1 3 . 1 1 15 15 SER N N 15 65.600 65.600 115.201 -49.601 19457
55 1 3 . 1 1 16 16 ILE N N 16 36.500 36.500 122.911 -86.411 19457
56 1 3 . 1 1 17 17 GLY N N 17 41.800 41.800 107.089 -65.289 19457
57 1 3 . 1 1 18 18 ARG N N 18 57.800 57.800 122.725 -64.925 19457
58 1 3 . 1 1 19 19 PHE N N 19 58.600 58.600 116.747 -58.147 19457
59 1 3 . 1 1 20 20 LEU N N 20 50.000 50.000 118.802 -68.802 19457
60 1 3 . 1 1 21 21 THR N N 21 41.100 41.100 114.232 -73.132 19457
61 1 4 . 1 1 2 2 ILE N N 2 82.000 82.000 118.555 -36.555 19457
62 1 4 . 1 1 3 3 HIS N N 3 62.500 62.500 117.958 -55.458 19457
63 1 4 . 1 1 4 4 HIS N N 4 71.500 71.500 118.099 -46.599 19457
64 1 4 . 1 1 5 5 ILE N N 5 51.300 51.300 119.158 -67.858 19457
65 1 4 . 1 1 6 6 PHE N N 6 67.400 67.400 118.713 -51.313 19457
66 1 4 . 1 1 7 7 ARG N N 7 41.500 41.500 120.263 -78.763 19457
67 1 4 . 1 1 8 8 GLY N N 8 47.100 47.100 107.346 -60.246 19457
68 1 4 . 1 1 9 9 ILE N N 9 51.800 51.800 123.016 -71.216 19457
69 1 4 . 1 1 10 10 VAL N N 10 44.200 44.200 119.629 -75.429 19457
70 1 4 . 1 1 11 11 HIS N N 11 61.500 61.500 119.642 -58.142 19457
71 1 4 . 1 1 12 12 ALA N N 12 51.400 51.400 120.213 -68.813 19457
72 1 4 . 1 1 13 13 GLY N N 13 54.600 54.600 104.688 -50.088 19457
73 1 4 . 1 1 14 14 ARG N N 14 50.300 50.300 122.047 -71.747 19457
74 1 4 . 1 1 15 15 SER N N 15 65.600 65.600 115.599 -49.999 19457
75 1 4 . 1 1 16 16 ILE N N 16 36.500 36.500 122.115 -85.615 19457
76 1 4 . 1 1 17 17 GLY N N 17 41.800 41.800 107.183 -65.383 19457
77 1 4 . 1 1 18 18 ARG N N 18 57.800 57.800 122.759 -64.959 19457
78 1 4 . 1 1 19 19 PHE N N 19 58.600 58.600 118.810 -60.210 19457
79 1 4 . 1 1 20 20 LEU N N 20 50.000 50.000 119.416 -69.416 19457
80 1 4 . 1 1 21 21 THR N N 21 41.100 41.100 114.722 -73.622 19457
81 1 5 . 1 1 2 2 ILE N N 2 82.000 82.000 120.710 -38.710 19457
82 1 5 . 1 1 3 3 HIS N N 3 62.500 62.500 116.115 -53.615 19457
83 1 5 . 1 1 4 4 HIS N N 4 71.500 71.500 119.546 -48.046 19457
84 1 5 . 1 1 5 5 ILE N N 5 51.300 51.300 119.601 -68.301 19457
85 1 5 . 1 1 6 6 PHE N N 6 67.400 67.400 119.220 -51.820 19457
86 1 5 . 1 1 7 7 ARG N N 7 41.500 41.500 119.063 -77.563 19457
87 1 5 . 1 1 8 8 GLY N N 8 47.100 47.100 108.391 -61.291 19457
88 1 5 . 1 1 9 9 ILE N N 9 51.800 51.800 122.646 -70.846 19457
89 1 5 . 1 1 10 10 VAL N N 10 44.200 44.200 119.807 -75.607 19457
90 1 5 . 1 1 11 11 HIS N N 11 61.500 61.500 120.080 -58.580 19457
91 1 5 . 1 1 12 12 ALA N N 12 51.400 51.400 120.145 -68.745 19457
92 1 5 . 1 1 13 13 GLY N N 13 54.600 54.600 107.155 -52.555 19457
93 1 5 . 1 1 14 14 ARG N N 14 50.300 50.300 122.922 -72.622 19457
94 1 5 . 1 1 15 15 SER N N 15 65.600 65.600 114.609 -49.009 19457
95 1 5 . 1 1 16 16 ILE N N 16 36.500 36.500 123.136 -86.636 19457
96 1 5 . 1 1 17 17 GLY N N 17 41.800 41.800 106.501 -64.701 19457
97 1 5 . 1 1 18 18 ARG N N 18 57.800 57.800 123.136 -65.336 19457
98 1 5 . 1 1 19 19 PHE N N 19 58.600 58.600 119.876 -61.276 19457
99 1 5 . 1 1 20 20 LEU N N 20 50.000 50.000 117.833 -67.833 19457
100 1 5 . 1 1 21 21 THR N N 21 41.100 41.100 110.331 -69.231 19457
101 1 6 . 1 1 2 2 ILE N N 2 82.000 82.000 121.204 -39.204 19457
102 1 6 . 1 1 3 3 HIS N N 3 62.500 62.500 116.333 -53.833 19457
103 1 6 . 1 1 4 4 HIS N N 4 71.500 71.500 119.996 -48.496 19457
104 1 6 . 1 1 5 5 ILE N N 5 51.300 51.300 119.063 -67.763 19457
105 1 6 . 1 1 6 6 PHE N N 6 67.400 67.400 118.878 -51.478 19457
106 1 6 . 1 1 7 7 ARG N N 7 41.500 41.500 119.999 -78.499 19457
107 1 6 . 1 1 8 8 GLY N N 8 47.100 47.100 107.043 -59.943 19457
108 1 6 . 1 1 9 9 ILE N N 9 51.800 51.800 122.652 -70.852 19457
109 1 6 . 1 1 10 10 VAL N N 10 44.200 44.200 119.910 -75.710 19457
110 1 6 . 1 1 11 11 HIS N N 11 61.500 61.500 119.817 -58.317 19457
111 1 6 . 1 1 12 12 ALA N N 12 51.400 51.400 119.580 -68.180 19457
112 1 6 . 1 1 13 13 GLY N N 13 54.600 54.600 106.252 -51.652 19457
113 1 6 . 1 1 14 14 ARG N N 14 50.300 50.300 122.290 -71.990 19457
114 1 6 . 1 1 15 15 SER N N 15 65.600 65.600 115.399 -49.799 19457
115 1 6 . 1 1 16 16 ILE N N 16 36.500 36.500 121.913 -85.413 19457
116 1 6 . 1 1 17 17 GLY N N 17 41.800 41.800 107.467 -65.667 19457
117 1 6 . 1 1 18 18 ARG N N 18 57.800 57.800 122.808 -65.008 19457
118 1 6 . 1 1 19 19 PHE N N 19 58.600 58.600 117.970 -59.370 19457
119 1 6 . 1 1 20 20 LEU N N 20 50.000 50.000 118.741 -68.741 19457
120 1 6 . 1 1 21 21 THR N N 21 41.100 41.100 113.585 -72.485 19457
121 1 7 . 1 1 2 2 ILE N N 2 82.000 82.000 117.866 -35.866 19457
122 1 7 . 1 1 3 3 HIS N N 3 62.500 62.500 118.508 -56.008 19457
123 1 7 . 1 1 4 4 HIS N N 4 71.500 71.500 118.481 -46.981 19457
124 1 7 . 1 1 5 5 ILE N N 5 51.300 51.300 119.055 -67.755 19457
125 1 7 . 1 1 6 6 PHE N N 6 67.400 67.400 121.100 -53.700 19457
126 1 7 . 1 1 7 7 ARG N N 7 41.500 41.500 118.540 -77.040 19457
127 1 7 . 1 1 8 8 GLY N N 8 47.100 47.100 107.751 -60.651 19457
128 1 7 . 1 1 9 9 ILE N N 9 51.800 51.800 122.221 -70.421 19457
129 1 7 . 1 1 10 10 VAL N N 10 44.200 44.200 119.583 -75.383 19457
130 1 7 . 1 1 11 11 HIS N N 11 61.500 61.500 118.456 -56.956 19457
131 1 7 . 1 1 12 12 ALA N N 12 51.400 51.400 120.567 -69.167 19457
132 1 7 . 1 1 13 13 GLY N N 13 54.600 54.600 106.604 -52.004 19457
133 1 7 . 1 1 14 14 ARG N N 14 50.300 50.300 121.880 -71.580 19457
134 1 7 . 1 1 15 15 SER N N 15 65.600 65.600 115.317 -49.717 19457
135 1 7 . 1 1 16 16 ILE N N 16 36.500 36.500 117.232 -80.732 19457
136 1 7 . 1 1 17 17 GLY N N 17 41.800 41.800 108.456 -66.656 19457
137 1 7 . 1 1 18 18 ARG N N 18 57.800 57.800 122.435 -64.635 19457
138 1 7 . 1 1 19 19 PHE N N 19 58.600 58.600 118.777 -60.177 19457
139 1 7 . 1 1 20 20 LEU N N 20 50.000 50.000 119.007 -69.007 19457
140 1 7 . 1 1 21 21 THR N N 21 41.100 41.100 109.581 -68.481 19457
141 1 8 . 1 1 2 2 ILE N N 2 82.000 82.000 120.797 -38.797 19457
142 1 8 . 1 1 3 3 HIS N N 3 62.500 62.500 118.573 -56.073 19457
143 1 8 . 1 1 4 4 HIS N N 4 71.500 71.500 117.483 -45.983 19457
144 1 8 . 1 1 5 5 ILE N N 5 51.300 51.300 119.549 -68.249 19457
145 1 8 . 1 1 6 6 PHE N N 6 67.400 67.400 118.216 -50.816 19457
146 1 8 . 1 1 7 7 ARG N N 7 41.500 41.500 120.398 -78.898 19457
147 1 8 . 1 1 8 8 GLY N N 8 47.100 47.100 107.370 -60.270 19457
148 1 8 . 1 1 9 9 ILE N N 9 51.800 51.800 123.141 -71.341 19457
149 1 8 . 1 1 10 10 VAL N N 10 44.200 44.200 117.205 -73.005 19457
150 1 8 . 1 1 11 11 HIS N N 11 61.500 61.500 120.823 -59.323 19457
151 1 8 . 1 1 12 12 ALA N N 12 51.400 51.400 119.803 -68.403 19457
152 1 8 . 1 1 13 13 GLY N N 13 54.600 54.600 106.532 -51.932 19457
153 1 8 . 1 1 14 14 ARG N N 14 50.300 50.300 121.699 -71.399 19457
154 1 8 . 1 1 15 15 SER N N 15 65.600 65.600 115.214 -49.614 19457
155 1 8 . 1 1 16 16 ILE N N 16 36.500 36.500 123.235 -86.735 19457
156 1 8 . 1 1 17 17 GLY N N 17 41.800 41.800 107.672 -65.872 19457
157 1 8 . 1 1 18 18 ARG N N 18 57.800 57.800 123.127 -65.327 19457
158 1 8 . 1 1 19 19 PHE N N 19 58.600 58.600 120.298 -61.698 19457
159 1 8 . 1 1 20 20 LEU N N 20 50.000 50.000 120.357 -70.357 19457
160 1 8 . 1 1 21 21 THR N N 21 41.100 41.100 114.475 -73.375 19457
161 1 9 . 1 1 2 2 ILE N N 2 82.000 82.000 121.502 -39.502 19457
162 1 9 . 1 1 3 3 HIS N N 3 62.500 62.500 117.684 -55.184 19457
163 1 9 . 1 1 4 4 HIS N N 4 71.500 71.500 119.263 -47.763 19457
164 1 9 . 1 1 5 5 ILE N N 5 51.300 51.300 119.221 -67.921 19457
165 1 9 . 1 1 6 6 PHE N N 6 67.400 67.400 118.584 -51.184 19457
166 1 9 . 1 1 7 7 ARG N N 7 41.500 41.500 118.956 -77.456 19457
167 1 9 . 1 1 8 8 GLY N N 8 47.100 47.100 108.064 -60.964 19457
168 1 9 . 1 1 9 9 ILE N N 9 51.800 51.800 122.571 -70.771 19457
169 1 9 . 1 1 10 10 VAL N N 10 44.200 44.200 119.587 -75.387 19457
170 1 9 . 1 1 11 11 HIS N N 11 61.500 61.500 120.414 -58.914 19457
171 1 9 . 1 1 12 12 ALA N N 12 51.400 51.400 119.742 -68.342 19457
172 1 9 . 1 1 13 13 GLY N N 13 54.600 54.600 107.308 -52.708 19457
173 1 9 . 1 1 14 14 ARG N N 14 50.300 50.300 121.887 -71.587 19457
174 1 9 . 1 1 15 15 SER N N 15 65.600 65.600 114.428 -48.828 19457
175 1 9 . 1 1 16 16 ILE N N 16 36.500 36.500 121.054 -84.554 19457
176 1 9 . 1 1 17 17 GLY N N 17 41.800 41.800 107.255 -65.455 19457
177 1 9 . 1 1 18 18 ARG N N 18 57.800 57.800 121.622 -63.822 19457
178 1 9 . 1 1 19 19 PHE N N 19 58.600 58.600 116.824 -58.224 19457
179 1 9 . 1 1 20 20 LEU N N 20 50.000 50.000 117.971 -67.971 19457
180 1 9 . 1 1 21 21 THR N N 21 41.100 41.100 114.152 -73.052 19457
181 1 10 . 1 1 2 2 ILE N N 2 82.000 82.000 121.272 -39.272 19457
182 1 10 . 1 1 3 3 HIS N N 3 62.500 62.500 117.625 -55.125 19457
183 1 10 . 1 1 4 4 HIS N N 4 71.500 71.500 118.032 -46.532 19457
184 1 10 . 1 1 5 5 ILE N N 5 51.300 51.300 119.873 -68.573 19457
185 1 10 . 1 1 6 6 PHE N N 6 67.400 67.400 118.017 -50.617 19457
186 1 10 . 1 1 7 7 ARG N N 7 41.500 41.500 120.480 -78.980 19457
187 1 10 . 1 1 8 8 GLY N N 8 47.100 47.100 107.740 -60.640 19457
188 1 10 . 1 1 9 9 ILE N N 9 51.800 51.800 122.878 -71.078 19457
189 1 10 . 1 1 10 10 VAL N N 10 44.200 44.200 119.969 -75.769 19457
190 1 10 . 1 1 11 11 HIS N N 11 61.500 61.500 120.029 -58.529 19457
191 1 10 . 1 1 12 12 ALA N N 12 51.400 51.400 120.566 -69.166 19457
192 1 10 . 1 1 13 13 GLY N N 13 54.600 54.600 106.924 -52.324 19457
193 1 10 . 1 1 14 14 ARG N N 14 50.300 50.300 121.917 -71.617 19457
194 1 10 . 1 1 15 15 SER N N 15 65.600 65.600 115.579 -49.979 19457
195 1 10 . 1 1 16 16 ILE N N 16 36.500 36.500 122.869 -86.369 19457
196 1 10 . 1 1 17 17 GLY N N 17 41.800 41.800 106.960 -65.160 19457
197 1 10 . 1 1 18 18 ARG N N 18 57.800 57.800 122.561 -64.761 19457
198 1 10 . 1 1 19 19 PHE N N 19 58.600 58.600 116.147 -57.547 19457
199 1 10 . 1 1 20 20 LEU N N 20 50.000 50.000 118.767 -68.767 19457
200 1 10 . 1 1 21 21 THR N N 21 41.100 41.100 110.938 -69.838 19457
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 20 64.149 63.171 11.449 19457
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19457
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19457
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19457
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19457
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19457
7 1 2 "Average Difference" N 20 64.407 63.368 11.823 19457
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19457
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19457
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19457
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19457
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19457
13 1 3 "Average Difference" N 20 64.226 63.203 11.714 19457
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19457
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19457
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19457
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19457
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19457
19 1 4 "Average Difference" N 20 64.178 63.072 12.174 19457
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19457
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19457
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19457
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19457
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19457
25 1 5 "Average Difference" N 20 64.127 63.116 11.635 19457
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19457
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19457
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19457
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19457
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19457
31 1 6 "Average Difference" N 20 64.130 63.120 11.632 19457
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19457
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19457
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19457
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19457
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19457
37 1 7 "Average Difference" N 20 63.600 62.646 11.261 19457
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19457
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19457
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19457
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19457
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19457
43 1 8 "Average Difference" N 20 64.423 63.373 11.881 19457
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19457
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19457
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19457
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19457
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19457
49 1 9 "Average Difference" N 20 63.957 62.979 11.429 19457
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19457
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19457
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19457
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19457
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19457
55 1 10 "Average Difference" N 20 64.074 63.032 11.808 19457
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19457
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19457
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19457
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19457
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19457
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 19457
_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 N N 2 82.000 82.000 120.564 -38.564 19457
2 1 . 1 1 3 3 HIS N N 3 62.500 62.500 117.498 -54.998 19457
3 1 . 1 1 4 4 HIS N N 4 71.500 71.500 118.717 -47.217 19457
4 1 . 1 1 5 5 ILE N N 5 51.300 51.300 119.373 -68.073 19457
5 1 . 1 1 6 6 PHE N N 6 67.400 67.400 119.040 -51.639 19457
6 1 . 1 1 7 7 ARG N N 7 41.500 41.500 119.580 -78.080 19457
7 1 . 1 1 8 8 GLY N N 8 47.100 47.100 107.643 -60.543 19457
8 1 . 1 1 9 9 ILE N N 9 51.800 51.800 122.632 -70.832 19457
9 1 . 1 1 10 10 VAL N N 10 44.200 44.200 119.585 -75.385 19457
10 1 . 1 1 11 11 HIS N N 11 61.500 61.500 119.729 -58.229 19457
11 1 . 1 1 12 12 ALA N N 12 51.400 51.400 120.232 -68.832 19457
12 1 . 1 1 13 13 GLY N N 13 54.600 54.600 106.558 -51.958 19457
13 1 . 1 1 14 14 ARG N N 14 50.300 50.300 122.189 -71.889 19457
14 1 . 1 1 15 15 SER N N 15 65.600 65.600 115.262 -49.662 19457
15 1 . 1 1 16 16 ILE N N 16 36.500 36.500 121.792 -85.292 19457
16 1 . 1 1 17 17 GLY N N 17 41.800 41.800 107.299 -65.499 19457
17 1 . 1 1 18 18 ARG N N 18 57.800 57.800 122.729 -64.929 19457
18 1 . 1 1 19 19 PHE N N 19 58.600 58.600 118.438 -59.838 19457
19 1 . 1 1 20 20 LEU N N 20 50.000 50.000 118.901 -68.901 19457
20 1 . 1 1 21 21 THR N N 21 41.100 41.100 112.898 -71.798 19457
stop_
save_