data_19455
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19455
_Entry.PDB_ID 2MCV
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 19455
_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 PHE N N 2 76.500 76.500 122.396 -45.896 19455
2 1 1 . 1 1 3 3 HIS N N 3 58.400 58.400 116.589 -58.189 19455
3 1 1 . 1 1 4 4 HIS N N 4 63.500 63.500 119.911 -56.411 19455
4 1 1 . 1 1 5 5 ILE N N 5 47.500 47.500 119.972 -72.472 19455
5 1 1 . 1 1 6 6 PHE N N 6 65.700 65.700 119.841 -54.141 19455
6 1 1 . 1 1 7 7 ARG N N 7 50.100 50.100 118.381 -68.281 19455
7 1 1 . 1 1 8 8 GLY N N 8 47.100 47.100 107.318 -60.218 19455
8 1 1 . 1 1 10 10 VAL N N 10 56.000 56.000 120.950 -64.950 19455
9 1 1 . 1 1 11 11 HIS N N 11 70.400 70.400 118.605 -48.205 19455
10 1 1 . 1 1 12 12 VAL N N 12 49.400 49.400 119.652 -70.252 19455
11 1 1 . 1 1 13 13 GLY N N 13 44.800 44.800 106.552 -61.752 19455
12 1 1 . 1 1 14 14 LYS N N 14 61.000 61.000 122.791 -61.791 19455
13 1 1 . 1 1 15 15 THR N N 15 68.900 68.900 116.813 -47.913 19455
14 1 1 . 1 1 16 16 ILE N N 16 40.400 40.400 122.403 -82.003 19455
15 1 1 . 1 1 17 17 HIS N N 17 61.100 61.100 117.918 -56.818 19455
16 1 1 . 1 1 18 18 ARG N N 18 59.300 59.300 119.892 -60.592 19455
17 1 1 . 1 1 19 19 LEU N N 19 52.600 52.600 120.824 -68.224 19455
18 1 1 . 1 1 20 20 VAL N N 20 47.100 47.100 118.952 -71.852 19455
19 1 1 . 1 1 21 21 THR N N 21 50.200 50.200 112.646 -62.446 19455
20 1 2 . 1 1 2 2 PHE N N 2 76.500 76.500 120.132 -43.632 19455
21 1 2 . 1 1 3 3 HIS N N 3 58.400 58.400 117.247 -58.847 19455
22 1 2 . 1 1 4 4 HIS N N 4 63.500 63.500 118.412 -54.912 19455
23 1 2 . 1 1 5 5 ILE N N 5 47.500 47.500 120.424 -72.924 19455
24 1 2 . 1 1 6 6 PHE N N 6 65.700 65.700 120.040 -54.340 19455
25 1 2 . 1 1 7 7 ARG N N 7 50.100 50.100 118.242 -68.142 19455
26 1 2 . 1 1 8 8 GLY N N 8 47.100 47.100 107.804 -60.704 19455
27 1 2 . 1 1 10 10 VAL N N 10 56.000 56.000 120.698 -64.698 19455
28 1 2 . 1 1 11 11 HIS N N 11 70.400 70.400 118.540 -48.140 19455
29 1 2 . 1 1 12 12 VAL N N 12 49.400 49.400 119.154 -69.754 19455
30 1 2 . 1 1 13 13 GLY N N 13 44.800 44.800 106.318 -61.518 19455
31 1 2 . 1 1 14 14 LYS N N 14 61.000 61.000 123.094 -62.094 19455
32 1 2 . 1 1 15 15 THR N N 15 68.900 68.900 115.873 -46.973 19455
33 1 2 . 1 1 16 16 ILE N N 16 40.400 40.400 121.851 -81.451 19455
34 1 2 . 1 1 17 17 HIS N N 17 61.100 61.100 119.703 -58.603 19455
35 1 2 . 1 1 18 18 ARG N N 18 59.300 59.300 118.897 -59.597 19455
36 1 2 . 1 1 19 19 LEU N N 19 52.600 52.600 120.875 -68.275 19455
37 1 2 . 1 1 20 20 VAL N N 20 47.100 47.100 119.194 -72.094 19455
38 1 2 . 1 1 21 21 THR N N 21 50.200 50.200 109.493 -59.293 19455
39 1 3 . 1 1 2 2 PHE N N 2 76.500 76.500 121.915 -45.415 19455
40 1 3 . 1 1 3 3 HIS N N 3 58.400 58.400 116.517 -58.117 19455
41 1 3 . 1 1 4 4 HIS N N 4 63.500 63.500 119.753 -56.253 19455
42 1 3 . 1 1 5 5 ILE N N 5 47.500 47.500 120.079 -72.579 19455
43 1 3 . 1 1 6 6 PHE N N 6 65.700 65.700 119.876 -54.176 19455
44 1 3 . 1 1 7 7 ARG N N 7 50.100 50.100 118.282 -68.182 19455
45 1 3 . 1 1 8 8 GLY N N 8 47.100 47.100 107.883 -60.783 19455
46 1 3 . 1 1 10 10 VAL N N 10 56.000 56.000 119.108 -63.108 19455
47 1 3 . 1 1 11 11 HIS N N 11 70.400 70.400 119.989 -49.589 19455
48 1 3 . 1 1 12 12 VAL N N 12 49.400 49.400 118.535 -69.135 19455
49 1 3 . 1 1 13 13 GLY N N 13 44.800 44.800 105.591 -60.791 19455
50 1 3 . 1 1 14 14 LYS N N 14 61.000 61.000 122.655 -61.655 19455
51 1 3 . 1 1 15 15 THR N N 15 68.900 68.900 113.204 -44.304 19455
52 1 3 . 1 1 16 16 ILE N N 16 40.400 40.400 122.256 -81.856 19455
53 1 3 . 1 1 17 17 HIS N N 17 61.100 61.100 117.694 -56.594 19455
54 1 3 . 1 1 18 18 ARG N N 18 59.300 59.300 120.644 -61.344 19455
55 1 3 . 1 1 19 19 LEU N N 19 52.600 52.600 117.420 -64.820 19455
56 1 3 . 1 1 20 20 VAL N N 20 47.100 47.100 117.947 -70.847 19455
57 1 3 . 1 1 21 21 THR N N 21 50.200 50.200 117.703 -67.503 19455
58 1 4 . 1 1 2 2 PHE N N 2 76.500 76.500 120.126 -43.626 19455
59 1 4 . 1 1 3 3 HIS N N 3 58.400 58.400 117.193 -58.793 19455
60 1 4 . 1 1 4 4 HIS N N 4 63.500 63.500 118.252 -54.752 19455
61 1 4 . 1 1 5 5 ILE N N 5 47.500 47.500 119.925 -72.425 19455
62 1 4 . 1 1 6 6 PHE N N 6 65.700 65.700 120.524 -54.824 19455
63 1 4 . 1 1 7 7 ARG N N 7 50.100 50.100 119.717 -69.617 19455
64 1 4 . 1 1 8 8 GLY N N 8 47.100 47.100 106.955 -59.855 19455
65 1 4 . 1 1 10 10 VAL N N 10 56.000 56.000 120.126 -64.126 19455
66 1 4 . 1 1 11 11 HIS N N 11 70.400 70.400 119.277 -48.877 19455
67 1 4 . 1 1 12 12 VAL N N 12 49.400 49.400 118.889 -69.489 19455
68 1 4 . 1 1 13 13 GLY N N 13 44.800 44.800 106.219 -61.419 19455
69 1 4 . 1 1 14 14 LYS N N 14 61.000 61.000 122.478 -61.478 19455
70 1 4 . 1 1 15 15 THR N N 15 68.900 68.900 113.354 -44.454 19455
71 1 4 . 1 1 16 16 ILE N N 16 40.400 40.400 122.906 -82.506 19455
72 1 4 . 1 1 17 17 HIS N N 17 61.100 61.100 119.992 -58.892 19455
73 1 4 . 1 1 18 18 ARG N N 18 59.300 59.300 117.717 -58.417 19455
74 1 4 . 1 1 19 19 LEU N N 19 52.600 52.600 119.277 -66.677 19455
75 1 4 . 1 1 20 20 VAL N N 20 47.100 47.100 116.397 -69.297 19455
76 1 4 . 1 1 21 21 THR N N 21 50.200 50.200 113.522 -63.322 19455
77 1 5 . 1 1 2 2 PHE N N 2 76.500 76.500 119.890 -43.390 19455
78 1 5 . 1 1 3 3 HIS N N 3 58.400 58.400 117.294 -58.894 19455
79 1 5 . 1 1 4 4 HIS N N 4 63.500 63.500 118.317 -54.817 19455
80 1 5 . 1 1 5 5 ILE N N 5 47.500 47.500 120.399 -72.899 19455
81 1 5 . 1 1 6 6 PHE N N 6 65.700 65.700 120.480 -54.780 19455
82 1 5 . 1 1 7 7 ARG N N 7 50.100 50.100 119.968 -69.868 19455
83 1 5 . 1 1 8 8 GLY N N 8 47.100 47.100 107.248 -60.148 19455
84 1 5 . 1 1 10 10 VAL N N 10 56.000 56.000 119.462 -63.462 19455
85 1 5 . 1 1 11 11 HIS N N 11 70.400 70.400 119.436 -49.036 19455
86 1 5 . 1 1 12 12 VAL N N 12 49.400 49.400 119.431 -70.031 19455
87 1 5 . 1 1 13 13 GLY N N 13 44.800 44.800 105.756 -60.956 19455
88 1 5 . 1 1 14 14 LYS N N 14 61.000 61.000 122.563 -61.563 19455
89 1 5 . 1 1 15 15 THR N N 15 68.900 68.900 113.497 -44.597 19455
90 1 5 . 1 1 16 16 ILE N N 16 40.400 40.400 122.921 -82.521 19455
91 1 5 . 1 1 17 17 HIS N N 17 61.100 61.100 119.138 -58.038 19455
92 1 5 . 1 1 18 18 ARG N N 18 59.300 59.300 119.397 -60.097 19455
93 1 5 . 1 1 19 19 LEU N N 19 52.600 52.600 118.048 -65.448 19455
94 1 5 . 1 1 20 20 VAL N N 20 47.100 47.100 120.036 -72.936 19455
95 1 5 . 1 1 21 21 THR N N 21 50.200 50.200 113.814 -63.614 19455
96 1 6 . 1 1 2 2 PHE N N 2 76.500 76.500 119.358 -42.858 19455
97 1 6 . 1 1 3 3 HIS N N 3 58.400 58.400 117.912 -59.512 19455
98 1 6 . 1 1 4 4 HIS N N 4 63.500 63.500 117.669 -54.169 19455
99 1 6 . 1 1 5 5 ILE N N 5 47.500 47.500 120.150 -72.650 19455
100 1 6 . 1 1 6 6 PHE N N 6 65.700 65.700 118.942 -53.242 19455
101 1 6 . 1 1 7 7 ARG N N 7 50.100 50.100 119.921 -69.821 19455
102 1 6 . 1 1 8 8 GLY N N 8 47.100 47.100 106.819 -59.719 19455
103 1 6 . 1 1 10 10 VAL N N 10 56.000 56.000 120.698 -64.698 19455
104 1 6 . 1 1 11 11 HIS N N 11 70.400 70.400 118.939 -48.539 19455
105 1 6 . 1 1 12 12 VAL N N 12 49.400 49.400 120.419 -71.019 19455
106 1 6 . 1 1 13 13 GLY N N 13 44.800 44.800 106.425 -61.625 19455
107 1 6 . 1 1 14 14 LYS N N 14 61.000 61.000 122.677 -61.677 19455
108 1 6 . 1 1 15 15 THR N N 15 68.900 68.900 113.657 -44.757 19455
109 1 6 . 1 1 16 16 ILE N N 16 40.400 40.400 123.120 -82.720 19455
110 1 6 . 1 1 17 17 HIS N N 17 61.100 61.100 118.460 -57.360 19455
111 1 6 . 1 1 18 18 ARG N N 18 59.300 59.300 119.864 -60.564 19455
112 1 6 . 1 1 19 19 LEU N N 19 52.600 52.600 121.583 -68.983 19455
113 1 6 . 1 1 20 20 VAL N N 20 47.100 47.100 116.616 -69.516 19455
114 1 6 . 1 1 21 21 THR N N 21 50.200 50.200 114.508 -64.308 19455
115 1 7 . 1 1 2 2 PHE N N 2 76.500 76.500 120.905 -44.405 19455
116 1 7 . 1 1 3 3 HIS N N 3 58.400 58.400 115.520 -57.120 19455
117 1 7 . 1 1 4 4 HIS N N 4 63.500 63.500 118.822 -55.322 19455
118 1 7 . 1 1 5 5 ILE N N 5 47.500 47.500 119.242 -71.742 19455
119 1 7 . 1 1 6 6 PHE N N 6 65.700 65.700 120.025 -54.325 19455
120 1 7 . 1 1 7 7 ARG N N 7 50.100 50.100 119.606 -69.506 19455
121 1 7 . 1 1 8 8 GLY N N 8 47.100 47.100 106.798 -59.698 19455
122 1 7 . 1 1 10 10 VAL N N 10 56.000 56.000 120.342 -64.342 19455
123 1 7 . 1 1 11 11 HIS N N 11 70.400 70.400 119.551 -49.151 19455
124 1 7 . 1 1 12 12 VAL N N 12 49.400 49.400 118.732 -69.332 19455
125 1 7 . 1 1 13 13 GLY N N 13 44.800 44.800 106.901 -62.101 19455
126 1 7 . 1 1 14 14 LYS N N 14 61.000 61.000 122.818 -61.818 19455
127 1 7 . 1 1 15 15 THR N N 15 68.900 68.900 116.428 -47.528 19455
128 1 7 . 1 1 16 16 ILE N N 16 40.400 40.400 122.320 -81.920 19455
129 1 7 . 1 1 17 17 HIS N N 17 61.100 61.100 119.177 -58.077 19455
130 1 7 . 1 1 18 18 ARG N N 18 59.300 59.300 119.926 -60.626 19455
131 1 7 . 1 1 19 19 LEU N N 19 52.600 52.600 120.735 -68.135 19455
132 1 7 . 1 1 20 20 VAL N N 20 47.100 47.100 116.957 -69.857 19455
133 1 7 . 1 1 21 21 THR N N 21 50.200 50.200 110.548 -60.348 19455
134 1 8 . 1 1 2 2 PHE N N 2 76.500 76.500 122.054 -45.554 19455
135 1 8 . 1 1 3 3 HIS N N 3 58.400 58.400 118.039 -59.639 19455
136 1 8 . 1 1 4 4 HIS N N 4 63.500 63.500 118.007 -54.507 19455
137 1 8 . 1 1 5 5 ILE N N 5 47.500 47.500 120.135 -72.635 19455
138 1 8 . 1 1 6 6 PHE N N 6 65.700 65.700 119.997 -54.297 19455
139 1 8 . 1 1 7 7 ARG N N 7 50.100 50.100 118.773 -68.673 19455
140 1 8 . 1 1 8 8 GLY N N 8 47.100 47.100 108.200 -61.100 19455
141 1 8 . 1 1 10 10 VAL N N 10 56.000 56.000 119.531 -63.531 19455
142 1 8 . 1 1 11 11 HIS N N 11 70.400 70.400 118.930 -48.530 19455
143 1 8 . 1 1 12 12 VAL N N 12 49.400 49.400 119.676 -70.276 19455
144 1 8 . 1 1 13 13 GLY N N 13 44.800 44.800 105.982 -61.182 19455
145 1 8 . 1 1 14 14 LYS N N 14 61.000 61.000 122.649 -61.649 19455
146 1 8 . 1 1 15 15 THR N N 15 68.900 68.900 116.217 -47.317 19455
147 1 8 . 1 1 16 16 ILE N N 16 40.400 40.400 121.548 -81.148 19455
148 1 8 . 1 1 17 17 HIS N N 17 61.100 61.100 118.384 -57.284 19455
149 1 8 . 1 1 18 18 ARG N N 18 59.300 59.300 120.392 -61.092 19455
150 1 8 . 1 1 19 19 LEU N N 19 52.600 52.600 120.741 -68.141 19455
151 1 8 . 1 1 20 20 VAL N N 20 47.100 47.100 116.650 -69.550 19455
152 1 8 . 1 1 21 21 THR N N 21 50.200 50.200 115.409 -65.209 19455
153 1 9 . 1 1 2 2 PHE N N 2 76.500 76.500 121.882 -45.382 19455
154 1 9 . 1 1 3 3 HIS N N 3 58.400 58.400 118.091 -59.691 19455
155 1 9 . 1 1 4 4 HIS N N 4 63.500 63.500 119.404 -55.904 19455
156 1 9 . 1 1 5 5 ILE N N 5 47.500 47.500 119.796 -72.296 19455
157 1 9 . 1 1 6 6 PHE N N 6 65.700 65.700 120.194 -54.494 19455
158 1 9 . 1 1 7 7 ARG N N 7 50.100 50.100 119.306 -69.206 19455
159 1 9 . 1 1 8 8 GLY N N 8 47.100 47.100 106.486 -59.386 19455
160 1 9 . 1 1 10 10 VAL N N 10 56.000 56.000 120.822 -64.822 19455
161 1 9 . 1 1 11 11 HIS N N 11 70.400 70.400 118.489 -48.089 19455
162 1 9 . 1 1 12 12 VAL N N 12 49.400 49.400 119.581 -70.181 19455
163 1 9 . 1 1 13 13 GLY N N 13 44.800 44.800 106.629 -61.829 19455
164 1 9 . 1 1 14 14 LYS N N 14 61.000 61.000 122.531 -61.531 19455
165 1 9 . 1 1 15 15 THR N N 15 68.900 68.900 116.273 -47.373 19455
166 1 9 . 1 1 16 16 ILE N N 16 40.400 40.400 122.198 -81.798 19455
167 1 9 . 1 1 17 17 HIS N N 17 61.100 61.100 118.423 -57.323 19455
168 1 9 . 1 1 18 18 ARG N N 18 59.300 59.300 119.838 -60.538 19455
169 1 9 . 1 1 19 19 LEU N N 19 52.600 52.600 121.938 -69.338 19455
170 1 9 . 1 1 20 20 VAL N N 20 47.100 47.100 120.755 -73.655 19455
171 1 9 . 1 1 21 21 THR N N 21 50.200 50.200 109.843 -59.643 19455
172 1 10 . 1 1 2 2 PHE N N 2 76.500 76.500 120.467 -43.967 19455
173 1 10 . 1 1 3 3 HIS N N 3 58.400 58.400 117.232 -58.832 19455
174 1 10 . 1 1 4 4 HIS N N 4 63.500 63.500 119.650 -56.150 19455
175 1 10 . 1 1 5 5 ILE N N 5 47.500 47.500 120.258 -72.758 19455
176 1 10 . 1 1 6 6 PHE N N 6 65.700 65.700 119.977 -54.277 19455
177 1 10 . 1 1 7 7 ARG N N 7 50.100 50.100 119.723 -69.623 19455
178 1 10 . 1 1 8 8 GLY N N 8 47.100 47.100 106.899 -59.799 19455
179 1 10 . 1 1 10 10 VAL N N 10 56.000 56.000 119.302 -63.302 19455
180 1 10 . 1 1 11 11 HIS N N 11 70.400 70.400 119.093 -48.693 19455
181 1 10 . 1 1 12 12 VAL N N 12 49.400 49.400 118.522 -69.122 19455
182 1 10 . 1 1 13 13 GLY N N 13 44.800 44.800 106.550 -61.750 19455
183 1 10 . 1 1 14 14 LYS N N 14 61.000 61.000 122.565 -61.565 19455
184 1 10 . 1 1 15 15 THR N N 15 68.900 68.900 115.370 -46.470 19455
185 1 10 . 1 1 16 16 ILE N N 16 40.400 40.400 122.903 -82.503 19455
186 1 10 . 1 1 17 17 HIS N N 17 61.100 61.100 120.014 -58.914 19455
187 1 10 . 1 1 18 18 ARG N N 18 59.300 59.300 119.640 -60.340 19455
188 1 10 . 1 1 19 19 LEU N N 19 52.600 52.600 120.410 -67.810 19455
189 1 10 . 1 1 20 20 VAL N N 20 47.100 47.100 119.829 -72.729 19455
190 1 10 . 1 1 21 21 THR N N 21 50.200 50.200 114.132 -63.932 19455
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 19 62.362 61.706 9.274 19455
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19455
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19455
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19455
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19455
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19455
7 1 2 "Average Difference" N 19 62.066 61.368 9.537 19455
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19455
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19455
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19455
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19455
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19455
13 1 3 "Average Difference" N 19 62.102 61.424 9.402 19455
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19455
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19455
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19455
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19455
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19455
19 1 4 "Average Difference" N 19 61.917 61.202 9.639 19455
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19455
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19455
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19455
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19455
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19455
25 1 5 "Average Difference" N 19 62.172 61.426 9.863 19455
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19455
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19455
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19455
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19455
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19455
31 1 6 "Average Difference" N 19 62.232 61.460 10.044 19455
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19455
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19455
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19455
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19455
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19455
37 1 7 "Average Difference" N 19 61.989 61.334 9.235 19455
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19455
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19455
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19455
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19455
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19455
43 1 8 "Average Difference" N 19 62.290 61.648 9.162 19455
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19455
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19455
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19455
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19455
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19455
49 1 9 "Average Difference" N 19 62.401 61.709 9.522 19455
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19455
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19455
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19455
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19455
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19455
55 1 10 "Average Difference" N 19 62.417 61.712 9.610 19455
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19455
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19455
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19455
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19455
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19455
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 19455
_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 PHE N N 2 76.500 76.500 120.912 -44.412 19455
2 1 . 1 1 3 3 HIS N N 3 58.400 58.400 117.163 -58.763 19455
3 1 . 1 1 4 4 HIS N N 4 63.500 63.500 118.820 -55.320 19455
4 1 . 1 1 5 5 ILE N N 5 47.500 47.500 120.038 -72.538 19455
5 1 . 1 1 6 6 PHE N N 6 65.700 65.700 119.990 -54.290 19455
6 1 . 1 1 7 7 ARG N N 7 50.100 50.100 119.192 -69.092 19455
7 1 . 1 1 8 8 GLY N N 8 47.100 47.100 107.241 -60.141 19455
8 1 . 1 1 10 10 VAL N N 10 56.000 56.000 120.104 -64.104 19455
9 1 . 1 1 11 11 HIS N N 11 70.400 70.400 119.085 -48.685 19455
10 1 . 1 1 12 12 VAL N N 12 49.400 49.400 119.259 -69.859 19455
11 1 . 1 1 13 13 GLY N N 13 44.800 44.800 106.292 -61.492 19455
12 1 . 1 1 14 14 LYS N N 14 61.000 61.000 122.682 -61.682 19455
13 1 . 1 1 15 15 THR N N 15 68.900 68.900 115.069 -46.169 19455
14 1 . 1 1 16 16 ILE N N 16 40.400 40.400 122.443 -82.043 19455
15 1 . 1 1 17 17 HIS N N 17 61.100 61.100 118.890 -57.790 19455
16 1 . 1 1 18 18 ARG N N 18 59.300 59.300 119.621 -60.321 19455
17 1 . 1 1 19 19 LEU N N 19 52.600 52.600 120.185 -67.585 19455
18 1 . 1 1 20 20 VAL N N 20 47.100 47.100 118.333 -71.233 19455
19 1 . 1 1 21 21 THR N N 21 50.200 50.200 113.162 -62.962 19455
stop_
save_