data_19456
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19456
_Entry.PDB_ID 2MCW
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 19456
_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 54.700 54.700 118.553 -63.853 19456
2 1 1 . 1 1 3 3 HIS N N 3 59.000 59.000 119.819 -60.819 19456
3 1 1 . 1 1 4 4 HIS N N 4 65.300 65.300 117.499 -52.199 19456
4 1 1 . 1 1 5 5 ILE N N 5 45.900 45.900 119.924 -74.024 19456
5 1 1 . 1 1 6 6 PHE N N 6 67.300 67.300 121.375 -54.075 19456
6 1 1 . 1 1 7 7 ARG N N 7 37.500 37.500 118.519 -81.019 19456
7 1 1 . 1 1 8 8 GLY N N 8 44.100 44.100 108.012 -63.912 19456
8 1 1 . 1 1 9 9 ILE N N 9 55.600 55.600 123.240 -67.640 19456
9 1 1 . 1 1 10 10 VAL N N 10 44.600 44.600 119.132 -74.532 19456
10 1 1 . 1 1 11 11 HIS N N 11 57.200 57.200 119.463 -62.263 19456
11 1 1 . 1 1 12 12 ALA N N 12 55.600 55.600 120.028 -64.428 19456
12 1 1 . 1 1 13 13 GLY N N 13 55.400 55.400 107.037 -51.637 19456
13 1 1 . 1 1 14 14 ARG N N 14 49.200 49.200 121.205 -72.005 19456
14 1 1 . 1 1 15 15 SER N N 15 62.800 62.800 114.979 -52.179 19456
15 1 1 . 1 1 16 16 ILE N N 16 38.000 38.000 121.450 -83.450 19456
16 1 1 . 1 1 17 17 GLY N N 17 45.100 45.100 106.824 -61.724 19456
17 1 1 . 1 1 18 18 ARG N N 18 54.500 54.500 122.300 -67.800 19456
18 1 1 . 1 1 19 19 PHE N N 19 63.200 63.200 118.290 -55.090 19456
19 1 1 . 1 1 20 20 LEU N N 20 49.100 49.100 120.153 -71.053 19456
20 1 1 . 1 1 21 21 THR N N 21 43.800 43.800 116.216 -72.416 19456
21 1 2 . 1 1 2 2 ILE N N 2 54.700 54.700 121.593 -66.893 19456
22 1 2 . 1 1 3 3 HIS N N 3 59.000 59.000 117.553 -58.553 19456
23 1 2 . 1 1 4 4 HIS N N 4 65.300 65.300 119.073 -53.773 19456
24 1 2 . 1 1 5 5 ILE N N 5 45.900 45.900 119.590 -73.690 19456
25 1 2 . 1 1 6 6 PHE N N 6 67.300 67.300 120.795 -53.495 19456
26 1 2 . 1 1 7 7 ARG N N 7 37.500 37.500 119.571 -82.071 19456
27 1 2 . 1 1 8 8 GLY N N 8 44.100 44.100 106.565 -62.465 19456
28 1 2 . 1 1 9 9 ILE N N 9 55.600 55.600 123.282 -67.682 19456
29 1 2 . 1 1 10 10 VAL N N 10 44.600 44.600 117.021 -72.421 19456
30 1 2 . 1 1 11 11 HIS N N 11 57.200 57.200 120.236 -63.036 19456
31 1 2 . 1 1 12 12 ALA N N 12 55.600 55.600 119.726 -64.126 19456
32 1 2 . 1 1 13 13 GLY N N 13 55.400 55.400 106.555 -51.155 19456
33 1 2 . 1 1 14 14 ARG N N 14 49.200 49.200 121.606 -72.406 19456
34 1 2 . 1 1 15 15 SER N N 15 62.800 62.800 114.710 -51.910 19456
35 1 2 . 1 1 16 16 ILE N N 16 38.000 38.000 121.304 -83.304 19456
36 1 2 . 1 1 17 17 GLY N N 17 45.100 45.100 107.713 -62.613 19456
37 1 2 . 1 1 18 18 ARG N N 18 54.500 54.500 121.932 -67.432 19456
38 1 2 . 1 1 19 19 PHE N N 19 63.200 63.200 118.649 -55.449 19456
39 1 2 . 1 1 20 20 LEU N N 20 49.100 49.100 119.604 -70.504 19456
40 1 2 . 1 1 21 21 THR N N 21 43.800 43.800 113.659 -69.859 19456
41 1 3 . 1 1 2 2 ILE N N 2 54.700 54.700 120.603 -65.903 19456
42 1 3 . 1 1 3 3 HIS N N 3 59.000 59.000 117.737 -58.737 19456
43 1 3 . 1 1 4 4 HIS N N 4 65.300 65.300 118.335 -53.035 19456
44 1 3 . 1 1 5 5 ILE N N 5 45.900 45.900 120.517 -74.617 19456
45 1 3 . 1 1 6 6 PHE N N 6 67.300 67.300 120.655 -53.355 19456
46 1 3 . 1 1 7 7 ARG N N 7 37.500 37.500 118.662 -81.162 19456
47 1 3 . 1 1 8 8 GLY N N 8 44.100 44.100 107.915 -63.815 19456
48 1 3 . 1 1 9 9 ILE N N 9 55.600 55.600 122.738 -67.138 19456
49 1 3 . 1 1 10 10 VAL N N 10 44.600 44.600 119.476 -74.876 19456
50 1 3 . 1 1 11 11 HIS N N 11 57.200 57.200 120.312 -63.112 19456
51 1 3 . 1 1 12 12 ALA N N 12 55.600 55.600 119.627 -64.027 19456
52 1 3 . 1 1 13 13 GLY N N 13 55.400 55.400 106.812 -51.412 19456
53 1 3 . 1 1 14 14 ARG N N 14 49.200 49.200 121.876 -72.676 19456
54 1 3 . 1 1 15 15 SER N N 15 62.800 62.800 114.178 -51.378 19456
55 1 3 . 1 1 16 16 ILE N N 16 38.000 38.000 121.544 -83.544 19456
56 1 3 . 1 1 17 17 GLY N N 17 45.100 45.100 107.443 -62.343 19456
57 1 3 . 1 1 18 18 ARG N N 18 54.500 54.500 121.803 -67.303 19456
58 1 3 . 1 1 19 19 PHE N N 19 63.200 63.200 118.162 -54.962 19456
59 1 3 . 1 1 20 20 LEU N N 20 49.100 49.100 119.404 -70.304 19456
60 1 3 . 1 1 21 21 THR N N 21 43.800 43.800 111.020 -67.220 19456
61 1 4 . 1 1 2 2 ILE N N 2 54.700 54.700 121.666 -66.966 19456
62 1 4 . 1 1 3 3 HIS N N 3 59.000 59.000 117.578 -58.578 19456
63 1 4 . 1 1 4 4 HIS N N 4 65.300 65.300 120.030 -54.730 19456
64 1 4 . 1 1 5 5 ILE N N 5 45.900 45.900 119.774 -73.874 19456
65 1 4 . 1 1 6 6 PHE N N 6 67.300 67.300 120.106 -52.806 19456
66 1 4 . 1 1 7 7 ARG N N 7 37.500 37.500 119.592 -82.092 19456
67 1 4 . 1 1 8 8 GLY N N 8 44.100 44.100 106.411 -62.311 19456
68 1 4 . 1 1 9 9 ILE N N 9 55.600 55.600 122.925 -67.325 19456
69 1 4 . 1 1 10 10 VAL N N 10 44.600 44.600 119.480 -74.880 19456
70 1 4 . 1 1 11 11 HIS N N 11 57.200 57.200 120.008 -62.808 19456
71 1 4 . 1 1 12 12 ALA N N 12 55.600 55.600 119.792 -64.192 19456
72 1 4 . 1 1 13 13 GLY N N 13 55.400 55.400 106.187 -50.787 19456
73 1 4 . 1 1 14 14 ARG N N 14 49.200 49.200 122.261 -73.061 19456
74 1 4 . 1 1 15 15 SER N N 15 62.800 62.800 115.390 -52.590 19456
75 1 4 . 1 1 16 16 ILE N N 16 38.000 38.000 123.607 -85.607 19456
76 1 4 . 1 1 17 17 GLY N N 17 45.100 45.100 107.568 -62.468 19456
77 1 4 . 1 1 18 18 ARG N N 18 54.500 54.500 122.044 -67.544 19456
78 1 4 . 1 1 19 19 PHE N N 19 63.200 63.200 118.016 -54.816 19456
79 1 4 . 1 1 20 20 LEU N N 20 49.100 49.100 119.792 -70.692 19456
80 1 4 . 1 1 21 21 THR N N 21 43.800 43.800 111.598 -67.798 19456
81 1 5 . 1 1 2 2 ILE N N 2 54.700 54.700 121.023 -66.323 19456
82 1 5 . 1 1 3 3 HIS N N 3 59.000 59.000 118.623 -59.623 19456
83 1 5 . 1 1 4 4 HIS N N 4 65.300 65.300 118.235 -52.935 19456
84 1 5 . 1 1 5 5 ILE N N 5 45.900 45.900 119.860 -73.960 19456
85 1 5 . 1 1 6 6 PHE N N 6 67.300 67.300 120.528 -53.228 19456
86 1 5 . 1 1 7 7 ARG N N 7 37.500 37.500 119.267 -81.767 19456
87 1 5 . 1 1 8 8 GLY N N 8 44.100 44.100 106.492 -62.392 19456
88 1 5 . 1 1 9 9 ILE N N 9 55.600 55.600 122.830 -67.230 19456
89 1 5 . 1 1 10 10 VAL N N 10 44.600 44.600 119.828 -75.228 19456
90 1 5 . 1 1 11 11 HIS N N 11 57.200 57.200 119.488 -62.288 19456
91 1 5 . 1 1 12 12 ALA N N 12 55.600 55.600 120.409 -64.809 19456
92 1 5 . 1 1 13 13 GLY N N 13 55.400 55.400 106.726 -51.326 19456
93 1 5 . 1 1 14 14 ARG N N 14 49.200 49.200 122.253 -73.053 19456
94 1 5 . 1 1 15 15 SER N N 15 62.800 62.800 115.746 -52.946 19456
95 1 5 . 1 1 16 16 ILE N N 16 38.000 38.000 122.131 -84.131 19456
96 1 5 . 1 1 17 17 GLY N N 17 45.100 45.100 106.795 -61.695 19456
97 1 5 . 1 1 18 18 ARG N N 18 54.500 54.500 122.285 -67.785 19456
98 1 5 . 1 1 19 19 PHE N N 19 63.200 63.200 118.009 -54.809 19456
99 1 5 . 1 1 20 20 LEU N N 20 49.100 49.100 117.479 -68.379 19456
100 1 5 . 1 1 21 21 THR N N 21 43.800 43.800 111.990 -68.190 19456
101 1 6 . 1 1 2 2 ILE N N 2 54.700 54.700 122.050 -67.350 19456
102 1 6 . 1 1 3 3 HIS N N 3 59.000 59.000 117.265 -58.265 19456
103 1 6 . 1 1 4 4 HIS N N 4 65.300 65.300 118.964 -53.664 19456
104 1 6 . 1 1 5 5 ILE N N 5 45.900 45.900 120.200 -74.300 19456
105 1 6 . 1 1 6 6 PHE N N 6 67.300 67.300 120.467 -53.167 19456
106 1 6 . 1 1 7 7 ARG N N 7 37.500 37.500 119.817 -82.317 19456
107 1 6 . 1 1 8 8 GLY N N 8 44.100 44.100 107.223 -63.123 19456
108 1 6 . 1 1 9 9 ILE N N 9 55.600 55.600 122.964 -67.364 19456
109 1 6 . 1 1 10 10 VAL N N 10 44.600 44.600 119.459 -74.859 19456
110 1 6 . 1 1 11 11 HIS N N 11 57.200 57.200 120.374 -63.174 19456
111 1 6 . 1 1 12 12 ALA N N 12 55.600 55.600 119.186 -63.586 19456
112 1 6 . 1 1 13 13 GLY N N 13 55.400 55.400 106.935 -51.535 19456
113 1 6 . 1 1 14 14 ARG N N 14 49.200 49.200 121.768 -72.568 19456
114 1 6 . 1 1 15 15 SER N N 15 62.800 62.800 114.977 -52.177 19456
115 1 6 . 1 1 16 16 ILE N N 16 38.000 38.000 120.348 -82.348 19456
116 1 6 . 1 1 17 17 GLY N N 17 45.100 45.100 107.233 -62.133 19456
117 1 6 . 1 1 18 18 ARG N N 18 54.500 54.500 121.930 -67.430 19456
118 1 6 . 1 1 19 19 PHE N N 19 63.200 63.200 118.381 -55.181 19456
119 1 6 . 1 1 20 20 LEU N N 20 49.100 49.100 117.868 -68.768 19456
120 1 6 . 1 1 21 21 THR N N 21 43.800 43.800 114.343 -70.543 19456
121 1 7 . 1 1 2 2 ILE N N 2 54.700 54.700 117.923 -63.223 19456
122 1 7 . 1 1 3 3 HIS N N 3 59.000 59.000 118.567 -59.567 19456
123 1 7 . 1 1 4 4 HIS N N 4 65.300 65.300 119.506 -54.206 19456
124 1 7 . 1 1 5 5 ILE N N 5 45.900 45.900 119.351 -73.451 19456
125 1 7 . 1 1 6 6 PHE N N 6 67.300 67.300 121.095 -53.795 19456
126 1 7 . 1 1 7 7 ARG N N 7 37.500 37.500 119.459 -81.959 19456
127 1 7 . 1 1 8 8 GLY N N 8 44.100 44.100 106.105 -62.005 19456
128 1 7 . 1 1 9 9 ILE N N 9 55.600 55.600 122.918 -67.318 19456
129 1 7 . 1 1 10 10 VAL N N 10 44.600 44.600 119.934 -75.334 19456
130 1 7 . 1 1 11 11 HIS N N 11 57.200 57.200 118.930 -61.730 19456
131 1 7 . 1 1 12 12 ALA N N 12 55.600 55.600 120.226 -64.626 19456
132 1 7 . 1 1 13 13 GLY N N 13 55.400 55.400 106.543 -51.143 19456
133 1 7 . 1 1 14 14 ARG N N 14 49.200 49.200 121.906 -72.706 19456
134 1 7 . 1 1 15 15 SER N N 15 62.800 62.800 115.009 -52.209 19456
135 1 7 . 1 1 16 16 ILE N N 16 38.000 38.000 121.518 -83.518 19456
136 1 7 . 1 1 17 17 GLY N N 17 45.100 45.100 107.067 -61.967 19456
137 1 7 . 1 1 18 18 ARG N N 18 54.500 54.500 122.426 -67.926 19456
138 1 7 . 1 1 19 19 PHE N N 19 63.200 63.200 118.239 -55.039 19456
139 1 7 . 1 1 20 20 LEU N N 20 49.100 49.100 120.000 -70.900 19456
140 1 7 . 1 1 21 21 THR N N 21 43.800 43.800 115.843 -72.043 19456
141 1 8 . 1 1 2 2 ILE N N 2 54.700 54.700 119.500 -64.800 19456
142 1 8 . 1 1 3 3 HIS N N 3 59.000 59.000 118.610 -59.610 19456
143 1 8 . 1 1 4 4 HIS N N 4 65.300 65.300 118.502 -53.202 19456
144 1 8 . 1 1 5 5 ILE N N 5 45.900 45.900 119.806 -73.906 19456
145 1 8 . 1 1 6 6 PHE N N 6 67.300 67.300 120.278 -52.978 19456
146 1 8 . 1 1 7 7 ARG N N 7 37.500 37.500 119.859 -82.359 19456
147 1 8 . 1 1 8 8 GLY N N 8 44.100 44.100 106.406 -62.306 19456
148 1 8 . 1 1 9 9 ILE N N 9 55.600 55.600 122.585 -66.985 19456
149 1 8 . 1 1 10 10 VAL N N 10 44.600 44.600 119.059 -74.459 19456
150 1 8 . 1 1 11 11 HIS N N 11 57.200 57.200 119.823 -62.623 19456
151 1 8 . 1 1 12 12 ALA N N 12 55.600 55.600 119.675 -64.075 19456
152 1 8 . 1 1 13 13 GLY N N 13 55.400 55.400 106.962 -51.562 19456
153 1 8 . 1 1 14 14 ARG N N 14 49.200 49.200 121.944 -72.744 19456
154 1 8 . 1 1 15 15 SER N N 15 62.800 62.800 114.820 -52.020 19456
155 1 8 . 1 1 16 16 ILE N N 16 38.000 38.000 121.071 -83.071 19456
156 1 8 . 1 1 17 17 GLY N N 17 45.100 45.100 106.779 -61.679 19456
157 1 8 . 1 1 18 18 ARG N N 18 54.500 54.500 121.722 -67.222 19456
158 1 8 . 1 1 19 19 PHE N N 19 63.200 63.200 118.124 -54.924 19456
159 1 8 . 1 1 20 20 LEU N N 20 49.100 49.100 118.656 -69.556 19456
160 1 8 . 1 1 21 21 THR N N 21 43.800 43.800 115.268 -71.468 19456
161 1 9 . 1 1 2 2 ILE N N 2 54.700 54.700 120.934 -66.234 19456
162 1 9 . 1 1 3 3 HIS N N 3 59.000 59.000 117.371 -58.371 19456
163 1 9 . 1 1 4 4 HIS N N 4 65.300 65.300 118.352 -53.052 19456
164 1 9 . 1 1 5 5 ILE N N 5 45.900 45.900 120.131 -74.231 19456
165 1 9 . 1 1 6 6 PHE N N 6 67.300 67.300 119.863 -52.563 19456
166 1 9 . 1 1 7 7 ARG N N 7 37.500 37.500 119.752 -82.252 19456
167 1 9 . 1 1 8 8 GLY N N 8 44.100 44.100 106.413 -62.313 19456
168 1 9 . 1 1 9 9 ILE N N 9 55.600 55.600 123.422 -67.822 19456
169 1 9 . 1 1 10 10 VAL N N 10 44.600 44.600 119.594 -74.994 19456
170 1 9 . 1 1 11 11 HIS N N 11 57.200 57.200 120.041 -62.841 19456
171 1 9 . 1 1 12 12 ALA N N 12 55.600 55.600 119.196 -63.596 19456
172 1 9 . 1 1 13 13 GLY N N 13 55.400 55.400 107.879 -52.479 19456
173 1 9 . 1 1 14 14 ARG N N 14 49.200 49.200 122.024 -72.824 19456
174 1 9 . 1 1 15 15 SER N N 15 62.800 62.800 115.467 -52.667 19456
175 1 9 . 1 1 16 16 ILE N N 16 38.000 38.000 121.584 -83.584 19456
176 1 9 . 1 1 17 17 GLY N N 17 45.100 45.100 106.401 -61.301 19456
177 1 9 . 1 1 18 18 ARG N N 18 54.500 54.500 122.443 -67.943 19456
178 1 9 . 1 1 19 19 PHE N N 19 63.200 63.200 120.024 -56.824 19456
179 1 9 . 1 1 20 20 LEU N N 20 49.100 49.100 119.697 -70.597 19456
180 1 9 . 1 1 21 21 THR N N 21 43.800 43.800 111.707 -67.907 19456
181 1 10 . 1 1 2 2 ILE N N 2 54.700 54.700 122.447 -67.747 19456
182 1 10 . 1 1 3 3 HIS N N 3 59.000 59.000 117.211 -58.211 19456
183 1 10 . 1 1 4 4 HIS N N 4 65.300 65.300 118.839 -53.539 19456
184 1 10 . 1 1 5 5 ILE N N 5 45.900 45.900 119.875 -73.975 19456
185 1 10 . 1 1 6 6 PHE N N 6 67.300 67.300 120.812 -53.512 19456
186 1 10 . 1 1 7 7 ARG N N 7 37.500 37.500 118.123 -80.623 19456
187 1 10 . 1 1 8 8 GLY N N 8 44.100 44.100 107.933 -63.833 19456
188 1 10 . 1 1 9 9 ILE N N 9 55.600 55.600 122.924 -67.324 19456
189 1 10 . 1 1 10 10 VAL N N 10 44.600 44.600 119.599 -74.999 19456
190 1 10 . 1 1 11 11 HIS N N 11 57.200 57.200 119.314 -62.114 19456
191 1 10 . 1 1 12 12 ALA N N 12 55.600 55.600 119.787 -64.187 19456
192 1 10 . 1 1 13 13 GLY N N 13 55.400 55.400 107.039 -51.639 19456
193 1 10 . 1 1 14 14 ARG N N 14 49.200 49.200 121.336 -72.136 19456
194 1 10 . 1 1 15 15 SER N N 15 62.800 62.800 115.491 -52.691 19456
195 1 10 . 1 1 16 16 ILE N N 16 38.000 38.000 121.527 -83.527 19456
196 1 10 . 1 1 17 17 GLY N N 17 45.100 45.100 106.871 -61.771 19456
197 1 10 . 1 1 18 18 ARG N N 18 54.500 54.500 122.987 -68.487 19456
198 1 10 . 1 1 19 19 PHE N N 19 63.200 63.200 119.501 -56.301 19456
199 1 10 . 1 1 20 20 LEU N N 20 49.100 49.100 119.284 -70.184 19456
200 1 10 . 1 1 21 21 THR N N 21 43.800 43.800 113.758 -69.958 19456
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 65.948 65.306 9.420 19456
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19456
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19456
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19456
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19456
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19456
7 1 2 "Average Difference" N 20 65.773 65.142 9.328 19456
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19456
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19456
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19456
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19456
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19456
13 1 3 "Average Difference" N 20 65.696 65.046 9.458 19456
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19456
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19456
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19456
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19456
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19456
19 1 4 "Average Difference" N 20 65.977 65.296 9.697 19456
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19456
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19456
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19456
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19456
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19456
25 1 5 "Average Difference" N 20 65.757 65.105 9.479 19456
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19456
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19456
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19456
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19456
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19456
31 1 6 "Average Difference" N 20 65.832 65.193 9.392 19456
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19456
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19456
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19456
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19456
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19456
37 1 7 "Average Difference" N 20 65.891 65.233 9.525 19456
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19456
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19456
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19456
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19456
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19456
43 1 8 "Average Difference" N 20 65.733 65.077 9.504 19456
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19456
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19456
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19456
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19456
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19456
49 1 9 "Average Difference" N 20 65.865 65.220 9.434 19456
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19456
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19456
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19456
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19456
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19456
55 1 10 "Average Difference" N 20 65.958 65.338 9.259 19456
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19456
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19456
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19456
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19456
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19456
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 19456
_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 54.700 54.700 120.629 -65.929 19456
2 1 . 1 1 3 3 HIS N N 3 59.000 59.000 118.033 -59.033 19456
3 1 . 1 1 4 4 HIS N N 4 65.300 65.300 118.733 -53.434 19456
4 1 . 1 1 5 5 ILE N N 5 45.900 45.900 119.903 -74.003 19456
5 1 . 1 1 6 6 PHE N N 6 67.300 67.300 120.597 -53.297 19456
6 1 . 1 1 7 7 ARG N N 7 37.500 37.500 119.262 -81.762 19456
7 1 . 1 1 8 8 GLY N N 8 44.100 44.100 106.947 -62.848 19456
8 1 . 1 1 9 9 ILE N N 9 55.600 55.600 122.983 -67.383 19456
9 1 . 1 1 10 10 VAL N N 10 44.600 44.600 119.258 -74.658 19456
10 1 . 1 1 11 11 HIS N N 11 57.200 57.200 119.799 -62.599 19456
11 1 . 1 1 12 12 ALA N N 12 55.600 55.600 119.765 -64.165 19456
12 1 . 1 1 13 13 GLY N N 13 55.400 55.400 106.867 -51.467 19456
13 1 . 1 1 14 14 ARG N N 14 49.200 49.200 121.818 -72.618 19456
14 1 . 1 1 15 15 SER N N 15 62.800 62.800 115.077 -52.277 19456
15 1 . 1 1 16 16 ILE N N 16 38.000 38.000 121.608 -83.608 19456
16 1 . 1 1 17 17 GLY N N 17 45.100 45.100 107.069 -61.969 19456
17 1 . 1 1 18 18 ARG N N 18 54.500 54.500 122.187 -67.687 19456
18 1 . 1 1 19 19 PHE N N 19 63.200 63.200 118.540 -55.340 19456
19 1 . 1 1 20 20 LEU N N 20 49.100 49.100 119.194 -70.094 19456
20 1 . 1 1 21 21 THR N N 21 43.800 43.800 113.540 -69.740 19456
stop_
save_