data_19536
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19536
_Entry.PDB_ID 2MF4
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 19536
_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 -3 -3 PRO HA H -3 4.490 4.490 4.398 0.092 19536
2 1 1 . 1 1 -3 -3 PRO C C -3 177.582 177.582 178.971 -1.389 19536
3 1 1 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 64.400 -0.939 19536
4 1 1 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 31.945 0.272 19536
5 1 1 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.432 3.669 19536
6 1 1 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.496 -0.016 19536
7 1 1 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.931 0.378 19536
8 1 1 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.656 0.059 19536
9 1 2 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.485 0.005 19536
10 1 2 . 1 1 -3 -3 PRO C C -3 177.582 177.582 176.653 0.929 19536
11 1 2 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.165 0.296 19536
12 1 2 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.247 -0.030 19536
13 1 2 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.814 3.287 19536
14 1 2 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.580 0.900 19536
15 1 2 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.481 0.828 19536
16 1 2 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.728 0.987 19536
17 1 3 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.485 0.005 19536
18 1 3 . 1 1 -3 -3 PRO C C -3 177.582 177.582 176.981 0.601 19536
19 1 3 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.930 0.531 19536
20 1 3 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.175 0.042 19536
21 1 3 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.487 3.614 19536
22 1 3 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.580 -0.100 19536
23 1 3 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 45.323 -0.014 19536
24 1 3 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.598 0.117 19536
25 1 4 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.551 -0.061 19536
26 1 4 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.596 -0.014 19536
27 1 4 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.044 0.417 19536
28 1 4 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.281 -0.064 19536
29 1 4 . 1 1 -2 -2 GLY N N -2 110.101 110.101 108.998 1.103 19536
30 1 4 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.995 0.485 19536
31 1 4 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.303 1.006 19536
32 1 4 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.873 0.842 19536
33 1 5 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.442 0.048 19536
34 1 5 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.578 0.004 19536
35 1 5 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.904 0.557 19536
36 1 5 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.445 -0.228 19536
37 1 5 . 1 1 -2 -2 GLY N N -2 110.101 110.101 109.423 0.678 19536
38 1 5 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.608 -0.128 19536
39 1 5 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 45.852 -0.543 19536
40 1 5 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.808 -0.093 19536
41 1 6 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.523 -0.033 19536
42 1 6 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.683 -0.101 19536
43 1 6 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.321 0.140 19536
44 1 6 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.522 -0.305 19536
45 1 6 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.103 2.998 19536
46 1 6 . 1 1 -2 -2 GLY C C -2 174.480 174.480 172.761 1.719 19536
47 1 6 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.937 0.372 19536
48 1 6 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.775 0.940 19536
49 1 7 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.407 0.083 19536
50 1 7 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.339 0.243 19536
51 1 7 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.833 0.628 19536
52 1 7 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.166 0.051 19536
53 1 7 . 1 1 -2 -2 GLY N N -2 110.101 110.101 108.161 1.940 19536
54 1 7 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.737 0.743 19536
55 1 7 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.424 0.885 19536
56 1 7 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.040 0.675 19536
57 1 8 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.603 -0.113 19536
58 1 8 . 1 1 -3 -3 PRO C C -3 177.582 177.582 178.464 -0.882 19536
59 1 8 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.750 -0.289 19536
60 1 8 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.181 0.036 19536
61 1 8 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.418 2.683 19536
62 1 8 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.201 0.279 19536
63 1 8 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 45.409 -0.100 19536
64 1 8 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.363 0.352 19536
65 1 9 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.463 0.027 19536
66 1 9 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.457 0.125 19536
67 1 9 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.593 0.868 19536
68 1 9 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.114 0.103 19536
69 1 9 . 1 1 -2 -2 GLY N N -2 110.101 110.101 108.480 1.621 19536
70 1 9 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.443 1.037 19536
71 1 9 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.733 0.576 19536
72 1 9 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.112 0.603 19536
73 1 10 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.638 -0.148 19536
74 1 10 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.812 -0.230 19536
75 1 10 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 64.607 -1.146 19536
76 1 10 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 31.808 0.409 19536
77 1 10 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.655 3.446 19536
78 1 10 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.319 1.161 19536
79 1 10 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.529 0.780 19536
80 1 10 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.897 0.818 19536
81 1 11 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.502 -0.012 19536
82 1 11 . 1 1 -3 -3 PRO C C -3 177.582 177.582 176.596 0.986 19536
83 1 11 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.131 0.330 19536
84 1 11 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.225 -0.008 19536
85 1 11 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.335 2.766 19536
86 1 11 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.012 1.468 19536
87 1 11 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.523 0.786 19536
88 1 11 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.967 0.748 19536
89 1 12 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.347 0.143 19536
90 1 12 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.791 -0.209 19536
91 1 12 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 64.513 -1.052 19536
92 1 12 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 31.864 0.353 19536
93 1 12 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.088 4.013 19536
94 1 12 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.106 0.374 19536
95 1 12 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.944 0.365 19536
96 1 12 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.653 0.062 19536
97 1 13 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.520 -0.030 19536
98 1 13 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.068 0.514 19536
99 1 13 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.119 0.342 19536
100 1 13 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.690 -0.472 19536
101 1 13 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.857 2.244 19536
102 1 13 . 1 1 -2 -2 GLY C C -2 174.480 174.480 172.915 1.565 19536
103 1 13 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.558 0.751 19536
104 1 13 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.801 0.914 19536
105 1 14 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.490 0.000 19536
106 1 14 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.390 0.192 19536
107 1 14 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.083 0.378 19536
108 1 14 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.369 -0.152 19536
109 1 14 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.531 2.570 19536
110 1 14 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.259 0.221 19536
111 1 14 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.969 0.340 19536
112 1 14 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.506 0.209 19536
113 1 15 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.449 0.041 19536
114 1 15 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.921 -0.339 19536
115 1 15 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.955 0.506 19536
116 1 15 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.265 -0.048 19536
117 1 15 . 1 1 -2 -2 GLY N N -2 110.101 110.101 108.671 1.430 19536
118 1 15 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.054 0.426 19536
119 1 15 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.264 1.045 19536
120 1 15 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.940 0.775 19536
121 1 16 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.448 0.042 19536
122 1 16 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.847 -0.265 19536
123 1 16 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.622 0.839 19536
124 1 16 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.316 -0.099 19536
125 1 16 . 1 1 -2 -2 GLY N N -2 110.101 110.101 108.189 1.912 19536
126 1 16 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.128 0.352 19536
127 1 16 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.465 0.844 19536
128 1 16 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.882 0.833 19536
129 1 17 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.358 0.132 19536
130 1 17 . 1 1 -3 -3 PRO C C -3 177.582 177.582 178.810 -1.228 19536
131 1 17 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 64.363 -0.902 19536
132 1 17 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 31.972 0.245 19536
133 1 17 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.671 3.430 19536
134 1 17 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.996 0.484 19536
135 1 17 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.828 0.480 19536
136 1 17 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.728 -0.013 19536
137 1 18 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.434 0.056 19536
138 1 18 . 1 1 -3 -3 PRO C C -3 177.582 177.582 176.785 0.797 19536
139 1 18 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.282 0.179 19536
140 1 18 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.337 -0.120 19536
141 1 18 . 1 1 -2 -2 GLY N N -2 110.101 110.101 105.705 4.396 19536
142 1 18 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.010 1.470 19536
143 1 18 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.503 0.806 19536
144 1 18 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.858 0.857 19536
145 1 19 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.449 0.040 19536
146 1 19 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.414 0.168 19536
147 1 19 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.902 0.559 19536
148 1 19 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.200 0.017 19536
149 1 19 . 1 1 -2 -2 GLY N N -2 110.101 110.101 106.743 3.358 19536
150 1 19 . 1 1 -2 -2 GLY C C -2 174.480 174.480 174.526 -0.046 19536
151 1 19 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 45.635 -0.326 19536
152 1 19 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.529 0.186 19536
153 1 20 . 1 1 -3 -3 PRO HA H -3 4.490 4.490 4.546 -0.056 19536
154 1 20 . 1 1 -3 -3 PRO C C -3 177.582 177.582 176.584 0.998 19536
155 1 20 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 62.875 0.586 19536
156 1 20 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.843 -0.626 19536
157 1 20 . 1 1 -2 -2 GLY N N -2 110.101 110.101 105.637 4.464 19536
158 1 20 . 1 1 -2 -2 GLY C C -2 174.480 174.480 172.351 2.129 19536
159 1 20 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.919 0.390 19536
160 1 20 . 1 1 -2 -2 GLY H H -2 8.715 8.715 7.824 0.891 19536
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 75 2.279 -0.101 2.292 19536
2 1 1 "Average Difference" HA 88 0.201 -0.023 0.201 19536
3 1 1 "Average Difference" C 76 0.901 -0.185 0.888 19536
4 1 1 "Average Difference" CA 81 0.883 -0.070 0.886 19536
5 1 1 "Average Difference" CB 74 0.913 0.237 0.888 19536
6 1 1 "Average Difference" HN 75 0.490 -0.101 0.483 19536
7 1 2 "Average Difference" N 75 2.288 -0.157 2.298 19536
8 1 2 "Average Difference" HA 88 0.204 -0.028 0.204 19536
9 1 2 "Average Difference" C 76 0.839 -0.224 0.814 19536
10 1 2 "Average Difference" CA 81 0.930 -0.165 0.921 19536
11 1 2 "Average Difference" CB 74 0.858 0.197 0.841 19536
12 1 2 "Average Difference" HN 75 0.491 -0.141 0.473 19536
13 1 3 "Average Difference" N 75 2.359 -0.228 2.364 19536
14 1 3 "Average Difference" HA 88 0.193 -0.032 0.191 19536
15 1 3 "Average Difference" C 76 0.826 -0.217 0.803 19536
16 1 3 "Average Difference" CA 81 0.880 -0.130 0.875 19536
17 1 3 "Average Difference" CB 74 0.887 0.231 0.862 19536
18 1 3 "Average Difference" HN 75 0.504 -0.140 0.487 19536
19 1 4 "Average Difference" N 75 2.174 -0.020 2.189 19536
20 1 4 "Average Difference" HA 88 0.208 -0.034 0.207 19536
21 1 4 "Average Difference" C 76 0.872 -0.184 0.858 19536
22 1 4 "Average Difference" CA 81 0.883 -0.104 0.882 19536
23 1 4 "Average Difference" CB 74 0.893 0.209 0.874 19536
24 1 4 "Average Difference" HN 75 0.494 -0.119 0.483 19536
25 1 5 "Average Difference" N 75 2.262 -0.085 2.275 19536
26 1 5 "Average Difference" HA 88 0.206 -0.028 0.206 19536
27 1 5 "Average Difference" C 76 0.866 -0.187 0.851 19536
28 1 5 "Average Difference" CA 81 0.901 -0.122 0.898 19536
29 1 5 "Average Difference" CB 74 0.864 0.181 0.850 19536
30 1 5 "Average Difference" HN 75 0.501 -0.141 0.484 19536
31 1 6 "Average Difference" N 75 2.224 0.029 2.239 19536
32 1 6 "Average Difference" HA 88 0.208 -0.018 0.208 19536
33 1 6 "Average Difference" C 76 0.881 -0.188 0.867 19536
34 1 6 "Average Difference" CA 81 0.907 -0.094 0.908 19536
35 1 6 "Average Difference" CB 74 0.889 0.229 0.865 19536
36 1 6 "Average Difference" HN 75 0.512 -0.132 0.498 19536
37 1 7 "Average Difference" N 75 2.199 -0.111 2.211 19536
38 1 7 "Average Difference" HA 88 0.202 -0.038 0.199 19536
39 1 7 "Average Difference" C 76 0.886 -0.228 0.862 19536
40 1 7 "Average Difference" CA 81 0.923 -0.150 0.916 19536
41 1 7 "Average Difference" CB 74 0.906 0.207 0.888 19536
42 1 7 "Average Difference" HN 75 0.485 -0.144 0.467 19536
43 1 8 "Average Difference" N 75 2.100 -0.081 2.113 19536
44 1 8 "Average Difference" HA 88 0.215 -0.037 0.213 19536
45 1 8 "Average Difference" C 76 0.888 -0.117 0.886 19536
46 1 8 "Average Difference" CA 81 0.891 -0.099 0.891 19536
47 1 8 "Average Difference" CB 74 0.856 0.224 0.832 19536
48 1 8 "Average Difference" HN 75 0.500 -0.127 0.486 19536
49 1 9 "Average Difference" N 75 2.402 -0.005 2.418 19536
50 1 9 "Average Difference" HA 88 0.201 -0.026 0.201 19536
51 1 9 "Average Difference" C 76 0.828 -0.184 0.813 19536
52 1 9 "Average Difference" CA 81 0.835 -0.118 0.832 19536
53 1 9 "Average Difference" CB 74 0.893 0.241 0.865 19536
54 1 9 "Average Difference" HN 75 0.493 -0.116 0.482 19536
55 1 10 "Average Difference" N 75 2.323 -0.112 2.336 19536
56 1 10 "Average Difference" HA 88 0.211 -0.024 0.211 19536
57 1 10 "Average Difference" C 76 0.875 -0.161 0.866 19536
58 1 10 "Average Difference" CA 81 0.893 -0.144 0.887 19536
59 1 10 "Average Difference" CB 74 0.899 0.188 0.885 19536
60 1 10 "Average Difference" HN 75 0.495 -0.140 0.478 19536
61 1 11 "Average Difference" N 75 2.196 -0.024 2.211 19536
62 1 11 "Average Difference" HA 88 0.211 -0.030 0.210 19536
63 1 11 "Average Difference" C 76 0.872 -0.198 0.855 19536
64 1 11 "Average Difference" CA 81 0.930 -0.110 0.929 19536
65 1 11 "Average Difference" CB 74 0.920 0.215 0.900 19536
66 1 11 "Average Difference" HN 75 0.484 -0.134 0.468 19536
67 1 12 "Average Difference" N 75 2.324 -0.197 2.331 19536
68 1 12 "Average Difference" HA 88 0.203 -0.028 0.203 19536
69 1 12 "Average Difference" C 76 0.858 -0.251 0.826 19536
70 1 12 "Average Difference" CA 81 0.916 -0.121 0.914 19536
71 1 12 "Average Difference" CB 74 0.915 0.222 0.894 19536
72 1 12 "Average Difference" HN 75 0.490 -0.110 0.481 19536
73 1 13 "Average Difference" N 75 2.182 -0.060 2.195 19536
74 1 13 "Average Difference" HA 88 0.204 -0.023 0.204 19536
75 1 13 "Average Difference" C 76 0.861 -0.186 0.847 19536
76 1 13 "Average Difference" CA 81 0.918 -0.123 0.915 19536
77 1 13 "Average Difference" CB 74 0.904 0.205 0.886 19536
78 1 13 "Average Difference" HN 75 0.496 -0.119 0.484 19536
79 1 14 "Average Difference" N 75 2.224 -0.054 2.238 19536
80 1 14 "Average Difference" HA 88 0.207 -0.030 0.206 19536
81 1 14 "Average Difference" C 76 0.857 -0.175 0.844 19536
82 1 14 "Average Difference" CA 81 0.904 -0.119 0.902 19536
83 1 14 "Average Difference" CB 74 0.918 0.217 0.898 19536
84 1 14 "Average Difference" HN 75 0.490 -0.133 0.475 19536
85 1 15 "Average Difference" N 75 2.153 -0.076 2.166 19536
86 1 15 "Average Difference" HA 88 0.206 -0.023 0.205 19536
87 1 15 "Average Difference" C 76 0.895 -0.212 0.876 19536
88 1 15 "Average Difference" CA 81 0.905 -0.117 0.903 19536
89 1 15 "Average Difference" CB 74 0.899 0.254 0.868 19536
90 1 15 "Average Difference" HN 75 0.512 -0.129 0.499 19536
91 1 16 "Average Difference" N 75 2.154 -0.008 2.169 19536
92 1 16 "Average Difference" HA 88 0.203 -0.034 0.202 19536
93 1 16 "Average Difference" C 76 0.856 -0.184 0.841 19536
94 1 16 "Average Difference" CA 81 0.888 -0.121 0.885 19536
95 1 16 "Average Difference" CB 74 0.895 0.212 0.876 19536
96 1 16 "Average Difference" HN 75 0.499 -0.112 0.490 19536
97 1 17 "Average Difference" N 75 2.269 -0.214 2.274 19536
98 1 17 "Average Difference" HA 88 0.202 -0.031 0.200 19536
99 1 17 "Average Difference" C 76 0.899 -0.170 0.889 19536
100 1 17 "Average Difference" CA 81 0.947 -0.123 0.945 19536
101 1 17 "Average Difference" CB 74 0.854 0.209 0.834 19536
102 1 17 "Average Difference" HN 75 0.496 -0.125 0.483 19536
103 1 18 "Average Difference" N 75 2.365 -0.204 2.372 19536
104 1 18 "Average Difference" HA 88 0.203 -0.026 0.202 19536
105 1 18 "Average Difference" C 76 0.837 -0.215 0.815 19536
106 1 18 "Average Difference" CA 81 0.924 -0.118 0.922 19536
107 1 18 "Average Difference" CB 74 0.905 0.206 0.887 19536
108 1 18 "Average Difference" HN 75 0.504 -0.127 0.491 19536
109 1 19 "Average Difference" N 75 2.282 -0.107 2.295 19536
110 1 19 "Average Difference" HA 88 0.207 -0.039 0.204 19536
111 1 19 "Average Difference" C 76 0.841 -0.183 0.826 19536
112 1 19 "Average Difference" CA 81 0.940 -0.087 0.942 19536
113 1 19 "Average Difference" CB 74 0.914 0.209 0.896 19536
114 1 19 "Average Difference" HN 75 0.478 -0.119 0.467 19536
115 1 20 "Average Difference" N 75 2.128 0.007 2.142 19536
116 1 20 "Average Difference" HA 88 0.228 -0.028 0.228 19536
117 1 20 "Average Difference" C 76 0.933 -0.280 0.896 19536
118 1 20 "Average Difference" CA 81 0.923 -0.119 0.921 19536
119 1 20 "Average Difference" CB 74 0.815 0.259 0.778 19536
120 1 20 "Average Difference" HN 75 0.491 -0.151 0.470 19536
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 19536
_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 -3 -3 PRO HA H -3 4.490 4.490 4.477 0.013 19536
2 1 . 1 1 -3 -3 PRO C C -3 177.582 177.582 177.537 0.045 19536
3 1 . 1 1 -3 -3 PRO CA C -3 63.461 63.461 63.320 0.141 19536
4 1 . 1 1 -3 -3 PRO CB C -3 32.217 32.217 32.248 -0.031 19536
5 1 . 1 1 -2 -2 GLY N N -2 110.101 110.101 107.320 2.781 19536
6 1 . 1 1 -2 -2 GLY C C -2 174.480 174.480 173.754 0.726 19536
7 1 . 1 1 -2 -2 GLY CA C -2 45.309 45.309 44.827 0.482 19536
8 1 . 1 1 -2 -2 GLY H H -2 8.715 8.715 8.177 0.538 19536
stop_
save_