data_25347
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25347
_Entry.PDB_ID 2MWO
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 25347
_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 HIS HA H -2 4.672 4.672 4.814 -0.142 25347
2 1 1 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 56.998 -0.264 25347
3 1 1 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.125 0.353 25347
4 1 2 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.734 -0.062 25347
5 1 2 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 57.773 -1.039 25347
6 1 2 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.238 1.240 25347
7 1 3 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.725 -0.053 25347
8 1 3 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.362 1.372 25347
9 1 3 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.326 0.152 25347
10 1 4 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.709 -0.037 25347
11 1 4 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.345 1.389 25347
12 1 4 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.442 0.036 25347
13 1 5 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.717 -0.045 25347
14 1 5 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.288 1.446 25347
15 1 5 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.195 0.284 25347
16 1 6 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.769 -0.097 25347
17 1 6 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.322 1.412 25347
18 1 6 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.240 0.238 25347
19 1 7 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.483 0.189 25347
20 1 7 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 56.041 0.693 25347
21 1 7 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.153 1.325 25347
22 1 8 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.451 0.221 25347
23 1 8 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 57.463 -0.729 25347
24 1 8 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.348 1.130 25347
25 1 9 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 5.353 -0.681 25347
26 1 9 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.463 1.271 25347
27 1 9 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.888 -0.410 25347
28 1 10 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.491 0.181 25347
29 1 10 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.291 1.443 25347
30 1 10 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.767 0.711 25347
31 1 11 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.634 0.038 25347
32 1 11 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.244 1.490 25347
33 1 11 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.392 1.086 25347
34 1 12 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 5.010 -0.338 25347
35 1 12 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 57.046 -0.312 25347
36 1 12 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.228 0.250 25347
37 1 13 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.894 -0.222 25347
38 1 13 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 56.248 0.485 25347
39 1 13 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 29.736 1.742 25347
40 1 14 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.766 -0.094 25347
41 1 14 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 56.444 0.290 25347
42 1 14 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.244 0.234 25347
43 1 15 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.597 0.075 25347
44 1 15 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.816 0.918 25347
45 1 15 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 30.409 1.069 25347
46 1 16 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.633 0.039 25347
47 1 16 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 56.263 0.471 25347
48 1 16 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.026 0.452 25347
49 1 17 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.854 -0.182 25347
50 1 17 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.811 0.923 25347
51 1 17 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.664 -0.186 25347
52 1 18 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.880 -0.208 25347
53 1 18 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.474 1.260 25347
54 1 18 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.450 0.028 25347
55 1 19 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.726 -0.054 25347
56 1 19 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.366 1.368 25347
57 1 19 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.309 0.169 25347
58 1 20 . 1 1 -2 -2 HIS HA H -2 4.672 4.672 4.674 -0.002 25347
59 1 20 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.660 1.074 25347
60 1 20 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 32.080 -0.602 25347
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 108 2.936 0.486 2.909 25347
2 1 1 "Average Difference" HA 132 0.353 -0.054 0.350 25347
3 1 1 "Average Difference" C 104 1.044 0.054 1.048 25347
4 1 1 "Average Difference" CA 119 1.014 -0.054 1.016 25347
5 1 1 "Average Difference" CB 106 1.208 -0.333 1.167 25347
6 1 1 "Average Difference" HN 108 0.451 -0.032 0.452 25347
7 1 2 "Average Difference" N 108 2.775 0.431 2.754 25347
8 1 2 "Average Difference" HA 132 0.372 -0.065 0.367 25347
9 1 2 "Average Difference" C 104 1.028 0.059 1.031 25347
10 1 2 "Average Difference" CA 119 1.033 -0.041 1.036 25347
11 1 2 "Average Difference" CB 106 1.216 -0.376 1.162 25347
12 1 2 "Average Difference" HN 108 0.447 -0.029 0.448 25347
13 1 3 "Average Difference" N 108 2.789 0.370 2.777 25347
14 1 3 "Average Difference" HA 132 0.343 -0.048 0.341 25347
15 1 3 "Average Difference" C 104 1.003 0.061 1.006 25347
16 1 3 "Average Difference" CA 119 1.057 -0.039 1.061 25347
17 1 3 "Average Difference" CB 106 1.252 -0.291 1.224 25347
18 1 3 "Average Difference" HN 108 0.481 -0.027 0.483 25347
19 1 4 "Average Difference" N 108 2.783 0.295 2.781 25347
20 1 4 "Average Difference" HA 132 0.356 -0.066 0.351 25347
21 1 4 "Average Difference" C 104 1.065 0.053 1.069 25347
22 1 4 "Average Difference" CA 119 1.053 -0.037 1.057 25347
23 1 4 "Average Difference" CB 106 1.212 -0.322 1.174 25347
24 1 4 "Average Difference" HN 108 0.457 -0.042 0.457 25347
25 1 5 "Average Difference" N 108 2.755 0.339 2.746 25347
26 1 5 "Average Difference" HA 132 0.373 -0.059 0.369 25347
27 1 5 "Average Difference" C 104 1.015 0.019 1.020 25347
28 1 5 "Average Difference" CA 119 1.008 -0.064 1.011 25347
29 1 5 "Average Difference" CB 106 1.302 -0.312 1.271 25347
30 1 5 "Average Difference" HN 108 0.463 -0.052 0.462 25347
31 1 6 "Average Difference" N 108 2.869 0.329 2.863 25347
32 1 6 "Average Difference" HA 132 0.346 -0.073 0.340 25347
33 1 6 "Average Difference" C 104 1.020 0.015 1.025 25347
34 1 6 "Average Difference" CA 119 1.053 -0.084 1.054 25347
35 1 6 "Average Difference" CB 106 1.297 -0.376 1.247 25347
36 1 6 "Average Difference" HN 108 0.444 -0.053 0.442 25347
37 1 7 "Average Difference" N 108 2.702 0.364 2.690 25347
38 1 7 "Average Difference" HA 132 0.339 -0.051 0.336 25347
39 1 7 "Average Difference" C 104 1.023 0.073 1.026 25347
40 1 7 "Average Difference" CA 119 1.090 -0.009 1.095 25347
41 1 7 "Average Difference" CB 106 1.231 -0.352 1.185 25347
42 1 7 "Average Difference" HN 108 0.442 -0.022 0.443 25347
43 1 8 "Average Difference" N 108 2.677 0.343 2.667 25347
44 1 8 "Average Difference" HA 132 0.342 -0.051 0.339 25347
45 1 8 "Average Difference" C 104 1.036 0.063 1.039 25347
46 1 8 "Average Difference" CA 119 1.079 0.038 1.082 25347
47 1 8 "Average Difference" CB 106 1.222 -0.284 1.194 25347
48 1 8 "Average Difference" HN 108 0.453 -0.016 0.455 25347
49 1 9 "Average Difference" N 108 2.735 0.111 2.746 25347
50 1 9 "Average Difference" HA 132 0.338 -0.045 0.336 25347
51 1 9 "Average Difference" C 104 1.078 0.033 1.082 25347
52 1 9 "Average Difference" CA 119 1.028 -0.030 1.032 25347
53 1 9 "Average Difference" CB 106 1.257 -0.227 1.242 25347
54 1 9 "Average Difference" HN 108 0.452 -0.040 0.453 25347
55 1 10 "Average Difference" N 108 2.850 0.412 2.833 25347
56 1 10 "Average Difference" HA 132 0.367 -0.062 0.364 25347
57 1 10 "Average Difference" C 104 1.019 0.052 1.023 25347
58 1 10 "Average Difference" CA 119 0.985 -0.085 0.985 25347
59 1 10 "Average Difference" CB 106 1.299 -0.368 1.251 25347
60 1 10 "Average Difference" HN 108 0.473 -0.048 0.473 25347
61 1 11 "Average Difference" N 108 2.705 0.243 2.707 25347
62 1 11 "Average Difference" HA 132 0.385 -0.056 0.383 25347
63 1 11 "Average Difference" C 104 1.012 0.042 1.016 25347
64 1 11 "Average Difference" CA 119 1.023 -0.083 1.024 25347
65 1 11 "Average Difference" CB 106 1.275 -0.306 1.243 25347
66 1 11 "Average Difference" HN 108 0.469 -0.038 0.469 25347
67 1 12 "Average Difference" N 108 2.835 0.293 2.833 25347
68 1 12 "Average Difference" HA 132 0.369 -0.063 0.365 25347
69 1 12 "Average Difference" C 104 1.039 0.005 1.044 25347
70 1 12 "Average Difference" CA 119 1.023 -0.046 1.026 25347
71 1 12 "Average Difference" CB 106 1.269 -0.240 1.252 25347
72 1 12 "Average Difference" HN 108 0.445 -0.038 0.446 25347
73 1 13 "Average Difference" N 108 2.814 0.290 2.812 25347
74 1 13 "Average Difference" HA 132 0.340 -0.061 0.336 25347
75 1 13 "Average Difference" C 104 1.067 0.023 1.072 25347
76 1 13 "Average Difference" CA 119 1.060 -0.032 1.064 25347
77 1 13 "Average Difference" CB 106 1.168 -0.280 1.140 25347
78 1 13 "Average Difference" HN 108 0.439 -0.041 0.439 25347
79 1 14 "Average Difference" N 108 2.798 0.231 2.802 25347
80 1 14 "Average Difference" HA 132 0.332 -0.043 0.330 25347
81 1 14 "Average Difference" C 104 1.019 0.031 1.023 25347
82 1 14 "Average Difference" CA 119 1.028 -0.020 1.032 25347
83 1 14 "Average Difference" CB 106 1.245 -0.271 1.221 25347
84 1 14 "Average Difference" HN 108 0.447 -0.012 0.449 25347
85 1 15 "Average Difference" N 108 2.766 0.344 2.757 25347
86 1 15 "Average Difference" HA 132 0.368 -0.058 0.365 25347
87 1 15 "Average Difference" C 104 1.042 0.049 1.046 25347
88 1 15 "Average Difference" CA 119 1.068 -0.052 1.072 25347
89 1 15 "Average Difference" CB 106 1.158 -0.261 1.134 25347
90 1 15 "Average Difference" HN 108 0.465 -0.034 0.466 25347
91 1 16 "Average Difference" N 108 2.760 0.302 2.757 25347
92 1 16 "Average Difference" HA 132 0.356 -0.053 0.353 25347
93 1 16 "Average Difference" C 104 1.073 0.028 1.078 25347
94 1 16 "Average Difference" CA 119 1.083 -0.065 1.085 25347
95 1 16 "Average Difference" CB 106 1.247 -0.343 1.205 25347
96 1 16 "Average Difference" HN 108 0.445 -0.036 0.446 25347
97 1 17 "Average Difference" N 108 2.897 0.319 2.892 25347
98 1 17 "Average Difference" HA 132 0.327 -0.045 0.325 25347
99 1 17 "Average Difference" C 104 1.033 0.068 1.036 25347
100 1 17 "Average Difference" CA 119 0.990 -0.045 0.993 25347
101 1 17 "Average Difference" CB 106 1.269 -0.371 1.220 25347
102 1 17 "Average Difference" HN 108 0.486 -0.040 0.486 25347
103 1 18 "Average Difference" N 108 2.885 0.169 2.893 25347
104 1 18 "Average Difference" HA 132 0.363 -0.045 0.362 25347
105 1 18 "Average Difference" C 104 1.030 0.043 1.034 25347
106 1 18 "Average Difference" CA 119 0.961 -0.090 0.961 25347
107 1 18 "Average Difference" CB 106 1.220 -0.219 1.206 25347
108 1 18 "Average Difference" HN 108 0.485 -0.043 0.485 25347
109 1 19 "Average Difference" N 108 2.854 0.327 2.848 25347
110 1 19 "Average Difference" HA 132 0.366 -0.062 0.362 25347
111 1 19 "Average Difference" C 104 1.042 0.030 1.047 25347
112 1 19 "Average Difference" CA 119 1.039 -0.063 1.042 25347
113 1 19 "Average Difference" CB 106 1.255 -0.266 1.233 25347
114 1 19 "Average Difference" HN 108 0.469 -0.054 0.468 25347
115 1 20 "Average Difference" N 108 2.856 0.262 2.857 25347
116 1 20 "Average Difference" HA 132 0.376 -0.058 0.373 25347
117 1 20 "Average Difference" C 104 1.025 0.024 1.030 25347
118 1 20 "Average Difference" CA 119 0.976 -0.078 0.977 25347
119 1 20 "Average Difference" CB 106 1.283 -0.311 1.251 25347
120 1 20 "Average Difference" HN 108 0.451 -0.044 0.451 25347
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 25347
_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 HIS HA H -2 4.672 4.672 4.746 -0.074 25347
2 1 . 1 1 -2 -2 HIS CA C -2 56.734 56.734 55.986 0.748 25347
3 1 . 1 1 -2 -2 HIS CB C -2 31.478 31.478 31.013 0.465 25347
stop_
save_