data_19454
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19454
_Entry.PDB_ID 2MCU
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 19454
_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 72.900 72.900 120.036 -47.136 19454
2 1 1 . 1 1 3 3 HIS N N 3 50.000 50.000 117.044 -67.044 19454
3 1 1 . 1 1 4 4 HIS N N 4 61.900 61.900 119.294 -57.394 19454
4 1 1 . 1 1 5 5 ILE N N 5 49.600 49.600 119.648 -70.048 19454
5 1 1 . 1 1 6 6 PHE N N 6 63.700 63.700 119.645 -55.945 19454
6 1 1 . 1 1 7 7 ARG N N 7 50.700 50.700 120.100 -69.400 19454
7 1 1 . 1 1 8 8 GLY N N 8 45.600 45.600 106.294 -60.694 19454
8 1 1 . 1 1 9 9 ILE N N 9 57.300 57.300 122.328 -65.028 19454
9 1 1 . 1 1 10 10 VAL N N 10 54.000 54.000 119.420 -65.420 19454
10 1 1 . 1 1 11 11 HIS N N 11 63.100 63.100 118.959 -55.859 19454
11 1 1 . 1 1 12 12 VAL N N 12 47.600 47.600 118.146 -70.546 19454
12 1 1 . 1 1 13 13 GLY N N 13 43.700 43.700 106.811 -63.111 19454
13 1 1 . 1 1 14 14 LYS N N 14 56.700 56.700 122.386 -65.686 19454
14 1 1 . 1 1 15 15 THR N N 15 66.600 66.600 115.281 -48.681 19454
15 1 1 . 1 1 16 16 ILE N N 16 39.900 39.900 121.605 -81.705 19454
16 1 1 . 1 1 17 17 HIS N N 17 58.600 58.600 119.130 -60.530 19454
17 1 1 . 1 1 18 18 ARG N N 18 65.600 65.600 119.974 -54.374 19454
18 1 1 . 1 1 19 19 LEU N N 19 53.600 53.600 118.284 -64.684 19454
19 1 1 . 1 1 20 20 VAL N N 20 48.400 48.400 118.470 -70.070 19454
20 1 1 . 1 1 21 21 THR N N 21 47.800 47.800 112.853 -65.053 19454
21 1 2 . 1 1 2 2 PHE N N 2 72.900 72.900 121.587 -48.687 19454
22 1 2 . 1 1 3 3 HIS N N 3 50.000 50.000 117.096 -67.096 19454
23 1 2 . 1 1 4 4 HIS N N 4 61.900 61.900 118.779 -56.879 19454
24 1 2 . 1 1 5 5 ILE N N 5 49.600 49.600 120.051 -70.451 19454
25 1 2 . 1 1 6 6 PHE N N 6 63.700 63.700 120.122 -56.422 19454
26 1 2 . 1 1 7 7 ARG N N 7 50.700 50.700 118.445 -67.745 19454
27 1 2 . 1 1 8 8 GLY N N 8 45.600 45.600 107.892 -62.292 19454
28 1 2 . 1 1 9 9 ILE N N 9 57.300 57.300 122.230 -64.930 19454
29 1 2 . 1 1 10 10 VAL N N 10 54.000 54.000 119.067 -65.067 19454
30 1 2 . 1 1 11 11 HIS N N 11 63.100 63.100 118.903 -55.803 19454
31 1 2 . 1 1 12 12 VAL N N 12 47.600 47.600 118.210 -70.610 19454
32 1 2 . 1 1 13 13 GLY N N 13 43.700 43.700 105.971 -62.271 19454
33 1 2 . 1 1 14 14 LYS N N 14 56.700 56.700 122.152 -65.452 19454
34 1 2 . 1 1 15 15 THR N N 15 66.600 66.600 114.812 -48.212 19454
35 1 2 . 1 1 16 16 ILE N N 16 39.900 39.900 122.108 -82.208 19454
36 1 2 . 1 1 17 17 HIS N N 17 58.600 58.600 118.542 -59.942 19454
37 1 2 . 1 1 18 18 ARG N N 18 65.600 65.600 119.557 -53.957 19454
38 1 2 . 1 1 19 19 LEU N N 19 53.600 53.600 118.040 -64.440 19454
39 1 2 . 1 1 20 20 VAL N N 20 48.400 48.400 118.786 -70.386 19454
40 1 2 . 1 1 21 21 THR N N 21 47.800 47.800 114.542 -66.742 19454
41 1 3 . 1 1 2 2 PHE N N 2 72.900 72.900 122.156 -49.256 19454
42 1 3 . 1 1 3 3 HIS N N 3 50.000 50.000 117.914 -67.914 19454
43 1 3 . 1 1 4 4 HIS N N 4 61.900 61.900 117.495 -55.595 19454
44 1 3 . 1 1 5 5 ILE N N 5 49.600 49.600 120.305 -70.705 19454
45 1 3 . 1 1 6 6 PHE N N 6 63.700 63.700 118.106 -54.406 19454
46 1 3 . 1 1 7 7 ARG N N 7 50.700 50.700 120.588 -69.888 19454
47 1 3 . 1 1 8 8 GLY N N 8 45.600 45.600 106.869 -61.269 19454
48 1 3 . 1 1 9 9 ILE N N 9 57.300 57.300 122.619 -65.319 19454
49 1 3 . 1 1 10 10 VAL N N 10 54.000 54.000 120.299 -66.299 19454
50 1 3 . 1 1 11 11 HIS N N 11 63.100 63.100 119.659 -56.559 19454
51 1 3 . 1 1 12 12 VAL N N 12 47.600 47.600 119.093 -71.493 19454
52 1 3 . 1 1 13 13 GLY N N 13 43.700 43.700 106.678 -62.978 19454
53 1 3 . 1 1 14 14 LYS N N 14 56.700 56.700 122.579 -65.879 19454
54 1 3 . 1 1 15 15 THR N N 15 66.600 66.600 116.722 -50.122 19454
55 1 3 . 1 1 16 16 ILE N N 16 39.900 39.900 121.834 -81.934 19454
56 1 3 . 1 1 17 17 HIS N N 17 58.600 58.600 119.076 -60.476 19454
57 1 3 . 1 1 18 18 ARG N N 18 65.600 65.600 120.013 -54.413 19454
58 1 3 . 1 1 19 19 LEU N N 19 53.600 53.600 117.522 -63.922 19454
59 1 3 . 1 1 20 20 VAL N N 20 48.400 48.400 118.736 -70.336 19454
60 1 3 . 1 1 21 21 THR N N 21 47.800 47.800 112.585 -64.785 19454
61 1 4 . 1 1 2 2 PHE N N 2 72.900 72.900 120.749 -47.849 19454
62 1 4 . 1 1 3 3 HIS N N 3 50.000 50.000 117.355 -67.355 19454
63 1 4 . 1 1 4 4 HIS N N 4 61.900 61.900 119.408 -57.508 19454
64 1 4 . 1 1 5 5 ILE N N 5 49.600 49.600 118.948 -69.348 19454
65 1 4 . 1 1 6 6 PHE N N 6 63.700 63.700 118.735 -55.035 19454
66 1 4 . 1 1 7 7 ARG N N 7 50.700 50.700 120.652 -69.952 19454
67 1 4 . 1 1 8 8 GLY N N 8 45.600 45.600 107.003 -61.403 19454
68 1 4 . 1 1 9 9 ILE N N 9 57.300 57.300 122.749 -65.449 19454
69 1 4 . 1 1 10 10 VAL N N 10 54.000 54.000 118.687 -64.687 19454
70 1 4 . 1 1 11 11 HIS N N 11 63.100 63.100 120.791 -57.691 19454
71 1 4 . 1 1 12 12 VAL N N 12 47.600 47.600 116.305 -68.705 19454
72 1 4 . 1 1 13 13 GLY N N 13 43.700 43.700 107.511 -63.811 19454
73 1 4 . 1 1 14 14 LYS N N 14 56.700 56.700 122.308 -65.608 19454
74 1 4 . 1 1 15 15 THR N N 15 66.600 66.600 116.472 -49.872 19454
75 1 4 . 1 1 16 16 ILE N N 16 39.900 39.900 121.992 -82.092 19454
76 1 4 . 1 1 17 17 HIS N N 17 58.600 58.600 119.005 -60.405 19454
77 1 4 . 1 1 18 18 ARG N N 18 65.600 65.600 119.577 -53.977 19454
78 1 4 . 1 1 19 19 LEU N N 19 53.600 53.600 118.887 -65.287 19454
79 1 4 . 1 1 20 20 VAL N N 20 48.400 48.400 116.012 -67.612 19454
80 1 4 . 1 1 21 21 THR N N 21 47.800 47.800 113.647 -65.847 19454
81 1 5 . 1 1 2 2 PHE N N 2 72.900 72.900 121.800 -48.900 19454
82 1 5 . 1 1 3 3 HIS N N 3 50.000 50.000 117.559 -67.559 19454
83 1 5 . 1 1 4 4 HIS N N 4 61.900 61.900 118.682 -56.782 19454
84 1 5 . 1 1 5 5 ILE N N 5 49.600 49.600 119.538 -69.938 19454
85 1 5 . 1 1 6 6 PHE N N 6 63.700 63.700 119.547 -55.847 19454
86 1 5 . 1 1 7 7 ARG N N 7 50.700 50.700 120.029 -69.329 19454
87 1 5 . 1 1 8 8 GLY N N 8 45.600 45.600 106.700 -61.100 19454
88 1 5 . 1 1 9 9 ILE N N 9 57.300 57.300 121.984 -64.684 19454
89 1 5 . 1 1 10 10 VAL N N 10 54.000 54.000 118.324 -64.324 19454
90 1 5 . 1 1 11 11 HIS N N 11 63.100 63.100 119.246 -56.146 19454
91 1 5 . 1 1 12 12 VAL N N 12 47.600 47.600 116.305 -68.705 19454
92 1 5 . 1 1 13 13 GLY N N 13 43.700 43.700 107.727 -64.027 19454
93 1 5 . 1 1 14 14 LYS N N 14 56.700 56.700 122.308 -65.608 19454
94 1 5 . 1 1 15 15 THR N N 15 66.600 66.600 117.500 -50.900 19454
95 1 5 . 1 1 16 16 ILE N N 16 39.900 39.900 122.166 -82.266 19454
96 1 5 . 1 1 17 17 HIS N N 17 58.600 58.600 118.406 -59.806 19454
97 1 5 . 1 1 18 18 ARG N N 18 65.600 65.600 121.134 -55.534 19454
98 1 5 . 1 1 19 19 LEU N N 19 53.600 53.600 119.327 -65.727 19454
99 1 5 . 1 1 20 20 VAL N N 20 48.400 48.400 118.473 -70.073 19454
100 1 5 . 1 1 21 21 THR N N 21 47.800 47.800 111.642 -63.842 19454
101 1 6 . 1 1 2 2 PHE N N 2 72.900 72.900 120.267 -47.367 19454
102 1 6 . 1 1 3 3 HIS N N 3 50.000 50.000 118.011 -68.011 19454
103 1 6 . 1 1 4 4 HIS N N 4 61.900 61.900 118.742 -56.842 19454
104 1 6 . 1 1 5 5 ILE N N 5 49.600 49.600 119.153 -69.553 19454
105 1 6 . 1 1 6 6 PHE N N 6 63.700 63.700 120.696 -56.996 19454
106 1 6 . 1 1 7 7 ARG N N 7 50.700 50.700 119.658 -68.958 19454
107 1 6 . 1 1 8 8 GLY N N 8 45.600 45.600 106.903 -61.303 19454
108 1 6 . 1 1 9 9 ILE N N 9 57.300 57.300 122.946 -65.646 19454
109 1 6 . 1 1 10 10 VAL N N 10 54.000 54.000 118.737 -64.737 19454
110 1 6 . 1 1 11 11 HIS N N 11 63.100 63.100 119.373 -56.273 19454
111 1 6 . 1 1 12 12 VAL N N 12 47.600 47.600 117.498 -69.898 19454
112 1 6 . 1 1 13 13 GLY N N 13 43.700 43.700 105.974 -62.274 19454
113 1 6 . 1 1 14 14 LYS N N 14 56.700 56.700 122.439 -65.739 19454
114 1 6 . 1 1 15 15 THR N N 15 66.600 66.600 117.113 -50.513 19454
115 1 6 . 1 1 16 16 ILE N N 16 39.900 39.900 122.146 -82.246 19454
116 1 6 . 1 1 17 17 HIS N N 17 58.600 58.600 119.483 -60.883 19454
117 1 6 . 1 1 18 18 ARG N N 18 65.600 65.600 119.507 -53.907 19454
118 1 6 . 1 1 19 19 LEU N N 19 53.600 53.600 118.989 -65.389 19454
119 1 6 . 1 1 20 20 VAL N N 20 48.400 48.400 118.346 -69.946 19454
120 1 6 . 1 1 21 21 THR N N 21 47.800 47.800 115.028 -67.228 19454
121 1 7 . 1 1 2 2 PHE N N 2 72.900 72.900 122.490 -49.590 19454
122 1 7 . 1 1 3 3 HIS N N 3 50.000 50.000 115.596 -65.596 19454
123 1 7 . 1 1 4 4 HIS N N 4 61.900 61.900 120.106 -58.206 19454
124 1 7 . 1 1 5 5 ILE N N 5 49.600 49.600 119.738 -70.138 19454
125 1 7 . 1 1 6 6 PHE N N 6 63.700 63.700 118.073 -54.373 19454
126 1 7 . 1 1 7 7 ARG N N 7 50.700 50.700 120.454 -69.754 19454
127 1 7 . 1 1 8 8 GLY N N 8 45.600 45.600 106.747 -61.147 19454
128 1 7 . 1 1 9 9 ILE N N 9 57.300 57.300 122.754 -65.454 19454
129 1 7 . 1 1 10 10 VAL N N 10 54.000 54.000 119.981 -65.981 19454
130 1 7 . 1 1 11 11 HIS N N 11 63.100 63.100 119.574 -56.474 19454
131 1 7 . 1 1 12 12 VAL N N 12 47.600 47.600 118.445 -70.845 19454
132 1 7 . 1 1 13 13 GLY N N 13 43.700 43.700 106.182 -62.482 19454
133 1 7 . 1 1 14 14 LYS N N 14 56.700 56.700 121.757 -65.057 19454
134 1 7 . 1 1 15 15 THR N N 15 66.600 66.600 115.932 -49.332 19454
135 1 7 . 1 1 16 16 ILE N N 16 39.900 39.900 122.312 -82.412 19454
136 1 7 . 1 1 17 17 HIS N N 17 58.600 58.600 118.730 -60.130 19454
137 1 7 . 1 1 18 18 ARG N N 18 65.600 65.600 120.591 -54.991 19454
138 1 7 . 1 1 19 19 LEU N N 19 53.600 53.600 118.208 -64.608 19454
139 1 7 . 1 1 20 20 VAL N N 20 48.400 48.400 118.737 -70.337 19454
140 1 7 . 1 1 21 21 THR N N 21 47.800 47.800 114.129 -66.329 19454
141 1 8 . 1 1 2 2 PHE N N 2 72.900 72.900 122.131 -49.231 19454
142 1 8 . 1 1 3 3 HIS N N 3 50.000 50.000 115.780 -65.780 19454
143 1 8 . 1 1 4 4 HIS N N 4 61.900 61.900 120.266 -58.366 19454
144 1 8 . 1 1 5 5 ILE N N 5 49.600 49.600 119.872 -70.272 19454
145 1 8 . 1 1 6 6 PHE N N 6 63.700 63.700 119.932 -56.232 19454
146 1 8 . 1 1 7 7 ARG N N 7 50.700 50.700 118.309 -67.609 19454
147 1 8 . 1 1 8 8 GLY N N 8 45.600 45.600 107.529 -61.929 19454
148 1 8 . 1 1 9 9 ILE N N 9 57.300 57.300 122.416 -65.116 19454
149 1 8 . 1 1 10 10 VAL N N 10 54.000 54.000 119.662 -65.662 19454
150 1 8 . 1 1 11 11 HIS N N 11 63.100 63.100 119.610 -56.510 19454
151 1 8 . 1 1 12 12 VAL N N 12 47.600 47.600 119.012 -71.412 19454
152 1 8 . 1 1 13 13 GLY N N 13 43.700 43.700 106.739 -63.039 19454
153 1 8 . 1 1 14 14 LYS N N 14 56.700 56.700 122.665 -65.965 19454
154 1 8 . 1 1 15 15 THR N N 15 66.600 66.600 117.220 -50.620 19454
155 1 8 . 1 1 16 16 ILE N N 16 39.900 39.900 121.943 -82.043 19454
156 1 8 . 1 1 17 17 HIS N N 17 58.600 58.600 119.336 -60.736 19454
157 1 8 . 1 1 18 18 ARG N N 18 65.600 65.600 119.448 -53.848 19454
158 1 8 . 1 1 19 19 LEU N N 19 53.600 53.600 120.939 -67.339 19454
159 1 8 . 1 1 20 20 VAL N N 20 48.400 48.400 117.416 -69.016 19454
160 1 8 . 1 1 21 21 THR N N 21 47.800 47.800 113.013 -65.213 19454
161 1 9 . 1 1 2 2 PHE N N 2 72.900 72.900 120.461 -47.561 19454
162 1 9 . 1 1 3 3 HIS N N 3 50.000 50.000 117.101 -67.101 19454
163 1 9 . 1 1 4 4 HIS N N 4 61.900 61.900 118.304 -56.404 19454
164 1 9 . 1 1 5 5 ILE N N 5 49.600 49.600 120.525 -70.925 19454
165 1 9 . 1 1 6 6 PHE N N 6 63.700 63.700 118.518 -54.818 19454
166 1 9 . 1 1 7 7 ARG N N 7 50.700 50.700 119.330 -68.630 19454
167 1 9 . 1 1 8 8 GLY N N 8 45.600 45.600 107.920 -62.320 19454
168 1 9 . 1 1 9 9 ILE N N 9 57.300 57.300 118.584 -61.284 19454
169 1 9 . 1 1 10 10 VAL N N 10 54.000 54.000 120.811 -66.811 19454
170 1 9 . 1 1 11 11 HIS N N 11 63.100 63.100 119.766 -56.666 19454
171 1 9 . 1 1 12 12 VAL N N 12 47.600 47.600 117.520 -69.920 19454
172 1 9 . 1 1 13 13 GLY N N 13 43.700 43.700 105.702 -62.002 19454
173 1 9 . 1 1 14 14 LYS N N 14 56.700 56.700 122.262 -65.562 19454
174 1 9 . 1 1 15 15 THR N N 15 66.600 66.600 114.301 -47.701 19454
175 1 9 . 1 1 16 16 ILE N N 16 39.900 39.900 122.286 -82.386 19454
176 1 9 . 1 1 17 17 HIS N N 17 58.600 58.600 117.670 -59.070 19454
177 1 9 . 1 1 18 18 ARG N N 18 65.600 65.600 121.482 -55.882 19454
178 1 9 . 1 1 19 19 LEU N N 19 53.600 53.600 118.413 -64.813 19454
179 1 9 . 1 1 20 20 VAL N N 20 48.400 48.400 116.377 -67.977 19454
180 1 9 . 1 1 21 21 THR N N 21 47.800 47.800 113.697 -65.897 19454
181 1 10 . 1 1 2 2 PHE N N 2 72.900 72.900 120.719 -47.819 19454
182 1 10 . 1 1 3 3 HIS N N 3 50.000 50.000 117.048 -67.048 19454
183 1 10 . 1 1 4 4 HIS N N 4 61.900 61.900 118.947 -57.047 19454
184 1 10 . 1 1 5 5 ILE N N 5 49.600 49.600 119.954 -70.354 19454
185 1 10 . 1 1 6 6 PHE N N 6 63.700 63.700 118.234 -54.534 19454
186 1 10 . 1 1 7 7 ARG N N 7 50.700 50.700 120.815 -70.115 19454
187 1 10 . 1 1 8 8 GLY N N 8 45.600 45.600 106.636 -61.036 19454
188 1 10 . 1 1 9 9 ILE N N 9 57.300 57.300 122.634 -65.334 19454
189 1 10 . 1 1 10 10 VAL N N 10 54.000 54.000 118.721 -64.721 19454
190 1 10 . 1 1 11 11 HIS N N 11 63.100 63.100 119.851 -56.751 19454
191 1 10 . 1 1 12 12 VAL N N 12 47.600 47.600 114.931 -67.331 19454
192 1 10 . 1 1 13 13 GLY N N 13 43.700 43.700 107.041 -63.341 19454
193 1 10 . 1 1 14 14 LYS N N 14 56.700 56.700 122.821 -66.121 19454
194 1 10 . 1 1 15 15 THR N N 15 66.600 66.600 116.287 -49.687 19454
195 1 10 . 1 1 16 16 ILE N N 16 39.900 39.900 121.841 -81.941 19454
196 1 10 . 1 1 17 17 HIS N N 17 58.600 58.600 119.472 -60.872 19454
197 1 10 . 1 1 18 18 ARG N N 18 65.600 65.600 119.708 -54.108 19454
198 1 10 . 1 1 19 19 LEU N N 19 53.600 53.600 118.584 -64.984 19454
199 1 10 . 1 1 20 20 VAL N N 20 48.400 48.400 119.803 -71.403 19454
200 1 10 . 1 1 21 21 THR N N 21 47.800 47.800 113.185 -65.385 19454
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 63.420 62.920 8.152 19454
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19454
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19454
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19454
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19454
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19454
7 1 2 "Average Difference" N 20 63.476 62.980 8.126 19454
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19454
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19454
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19454
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19454
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19454
13 1 3 "Average Difference" N 20 63.671 63.177 8.116 19454
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19454
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19454
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19454
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19454
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19454
19 1 4 "Average Difference" N 20 63.437 62.975 7.847 19454
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19454
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19454
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19454
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19454
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19454
25 1 5 "Average Difference" N 20 63.503 63.055 7.728 19454
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19454
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19454
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19454
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19454
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19454
31 1 6 "Average Difference" N 20 63.666 63.185 8.014 19454
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19454
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19454
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19454
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19454
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19454
37 1 7 "Average Difference" N 20 63.639 63.162 7.982 19454
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19454
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19454
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19454
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19454
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19454
43 1 8 "Average Difference" N 20 63.744 63.297 7.733 19454
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19454
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19454
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19454
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19454
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19454
49 1 9 "Average Difference" N 20 63.197 62.687 8.221 19454
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19454
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19454
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19454
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19454
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19454
55 1 10 "Average Difference" N 20 63.486 62.997 8.073 19454
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19454
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19454
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19454
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19454
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19454
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 19454
_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 72.900 72.900 121.240 -48.340 19454
2 1 . 1 1 3 3 HIS N N 3 50.000 50.000 117.050 -67.050 19454
3 1 . 1 1 4 4 HIS N N 4 61.900 61.900 119.002 -57.102 19454
4 1 . 1 1 5 5 ILE N N 5 49.600 49.600 119.773 -70.173 19454
5 1 . 1 1 6 6 PHE N N 6 63.700 63.700 119.161 -55.461 19454
6 1 . 1 1 7 7 ARG N N 7 50.700 50.700 119.838 -69.138 19454
7 1 . 1 1 8 8 GLY N N 8 45.600 45.600 107.049 -61.449 19454
8 1 . 1 1 9 9 ILE N N 9 57.300 57.300 122.124 -64.824 19454
9 1 . 1 1 10 10 VAL N N 10 54.000 54.000 119.371 -65.371 19454
10 1 . 1 1 11 11 HIS N N 11 63.100 63.100 119.573 -56.473 19454
11 1 . 1 1 12 12 VAL N N 12 47.600 47.600 117.546 -69.947 19454
12 1 . 1 1 13 13 GLY N N 13 43.700 43.700 106.634 -62.934 19454
13 1 . 1 1 14 14 LYS N N 14 56.700 56.700 122.368 -65.668 19454
14 1 . 1 1 15 15 THR N N 15 66.600 66.600 116.164 -49.564 19454
15 1 . 1 1 16 16 ILE N N 16 39.900 39.900 122.023 -82.123 19454
16 1 . 1 1 17 17 HIS N N 17 58.600 58.600 118.885 -60.285 19454
17 1 . 1 1 18 18 ARG N N 18 65.600 65.600 120.099 -54.499 19454
18 1 . 1 1 19 19 LEU N N 19 53.600 53.600 118.719 -65.119 19454
19 1 . 1 1 20 20 VAL N N 20 48.400 48.400 118.116 -69.716 19454
20 1 . 1 1 21 21 THR N N 21 47.800 47.800 113.432 -65.632 19454
stop_
save_