data_26538
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 26538
_Entry.PDB_ID 2N0I
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 26538
_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 7 7 THR HA H 7 4.040 4.040 4.487 -0.447 26538
2 1 1 . 1 1 7 7 THR H H 7 7.430 7.430 7.842 -0.412 26538
3 1 1 . 1 1 8 8 SER HA H 8 4.190 4.190 4.190 -0.000 26538
4 1 1 . 1 1 8 8 SER H H 8 7.810 7.810 7.996 -0.186 26538
5 1 1 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.582 -0.192 26538
6 1 1 . 1 1 9 9 ASP H H 9 7.960 7.960 8.078 -0.118 26538
7 1 2 . 1 1 7 7 THR HA H 7 4.040 4.040 4.030 0.010 26538
8 1 2 . 1 1 7 7 THR H H 7 7.430 7.430 8.530 -1.100 26538
9 1 2 . 1 1 8 8 SER HA H 8 4.190 4.190 4.422 -0.232 26538
10 1 2 . 1 1 8 8 SER H H 8 7.810 7.810 8.012 -0.202 26538
11 1 2 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.598 -0.208 26538
12 1 2 . 1 1 9 9 ASP H H 9 7.960 7.960 8.334 -0.374 26538
13 1 3 . 1 1 7 7 THR HA H 7 4.040 4.040 3.958 0.082 26538
14 1 3 . 1 1 7 7 THR H H 7 7.430 7.430 8.588 -1.158 26538
15 1 3 . 1 1 8 8 SER HA H 8 4.190 4.190 4.225 -0.035 26538
16 1 3 . 1 1 8 8 SER H H 8 7.810 7.810 8.080 -0.270 26538
17 1 3 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.745 -0.355 26538
18 1 3 . 1 1 9 9 ASP H H 9 7.960 7.960 7.753 0.207 26538
19 1 4 . 1 1 7 7 THR HA H 7 4.040 4.040 4.262 -0.222 26538
20 1 4 . 1 1 7 7 THR H H 7 7.430 7.430 7.630 -0.200 26538
21 1 4 . 1 1 8 8 SER HA H 8 4.190 4.190 4.294 -0.104 26538
22 1 4 . 1 1 8 8 SER H H 8 7.810 7.810 8.056 -0.246 26538
23 1 4 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.459 -0.069 26538
24 1 4 . 1 1 9 9 ASP H H 9 7.960 7.960 7.792 0.168 26538
25 1 5 . 1 1 7 7 THR HA H 7 4.040 4.040 4.318 -0.278 26538
26 1 5 . 1 1 7 7 THR H H 7 7.430 7.430 8.375 -0.945 26538
27 1 5 . 1 1 8 8 SER HA H 8 4.190 4.190 4.177 0.013 26538
28 1 5 . 1 1 8 8 SER H H 8 7.810 7.810 8.050 -0.240 26538
29 1 5 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.448 -0.058 26538
30 1 5 . 1 1 9 9 ASP H H 9 7.960 7.960 8.631 -0.671 26538
31 1 6 . 1 1 7 7 THR HA H 7 4.040 4.040 4.285 -0.245 26538
32 1 6 . 1 1 7 7 THR H H 7 7.430 7.430 7.903 -0.473 26538
33 1 6 . 1 1 8 8 SER HA H 8 4.190 4.190 3.591 0.599 26538
34 1 6 . 1 1 8 8 SER H H 8 7.810 7.810 8.158 -0.348 26538
35 1 6 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.375 0.015 26538
36 1 6 . 1 1 9 9 ASP H H 9 7.960 7.960 7.560 0.400 26538
37 1 7 . 1 1 7 7 THR HA H 7 4.040 4.040 4.412 -0.372 26538
38 1 7 . 1 1 7 7 THR H H 7 7.430 7.430 8.516 -1.086 26538
39 1 7 . 1 1 8 8 SER HA H 8 4.190 4.190 4.425 -0.235 26538
40 1 7 . 1 1 8 8 SER H H 8 7.810 7.810 7.708 0.102 26538
41 1 7 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.751 -0.361 26538
42 1 7 . 1 1 9 9 ASP H H 9 7.960 7.960 8.435 -0.475 26538
43 1 8 . 1 1 7 7 THR HA H 7 4.040 4.040 4.458 -0.418 26538
44 1 8 . 1 1 7 7 THR H H 7 7.430 7.430 8.517 -1.087 26538
45 1 8 . 1 1 8 8 SER HA H 8 4.190 4.190 4.261 -0.071 26538
46 1 8 . 1 1 8 8 SER H H 8 7.810 7.810 7.899 -0.089 26538
47 1 8 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.593 -0.203 26538
48 1 8 . 1 1 9 9 ASP H H 9 7.960 7.960 8.478 -0.518 26538
49 1 9 . 1 1 7 7 THR HA H 7 4.040 4.040 3.683 0.357 26538
50 1 9 . 1 1 7 7 THR H H 7 7.430 7.430 8.220 -0.790 26538
51 1 9 . 1 1 8 8 SER HA H 8 4.190 4.190 4.194 -0.003 26538
52 1 9 . 1 1 8 8 SER H H 8 7.810 7.810 7.969 -0.159 26538
53 1 9 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.443 -0.053 26538
54 1 9 . 1 1 9 9 ASP H H 9 7.960 7.960 7.658 0.302 26538
55 1 10 . 1 1 7 7 THR HA H 7 4.040 4.040 3.827 0.213 26538
56 1 10 . 1 1 7 7 THR H H 7 7.430 7.430 8.360 -0.930 26538
57 1 10 . 1 1 8 8 SER HA H 8 4.190 4.190 4.332 -0.142 26538
58 1 10 . 1 1 8 8 SER H H 8 7.810 7.810 8.163 -0.353 26538
59 1 10 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.507 -0.117 26538
60 1 10 . 1 1 9 9 ASP H H 9 7.960 7.960 7.922 0.038 26538
61 1 11 . 1 1 7 7 THR HA H 7 4.040 4.040 3.537 0.503 26538
62 1 11 . 1 1 7 7 THR H H 7 7.430 7.430 8.327 -0.897 26538
63 1 11 . 1 1 8 8 SER HA H 8 4.190 4.190 4.187 0.003 26538
64 1 11 . 1 1 8 8 SER H H 8 7.810 7.810 7.944 -0.134 26538
65 1 11 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.393 -0.003 26538
66 1 11 . 1 1 9 9 ASP H H 9 7.960 7.960 7.550 0.410 26538
67 1 12 . 1 1 7 7 THR HA H 7 4.040 4.040 4.149 -0.109 26538
68 1 12 . 1 1 7 7 THR H H 7 7.430 7.430 8.319 -0.889 26538
69 1 12 . 1 1 8 8 SER HA H 8 4.190 4.190 4.391 -0.201 26538
70 1 12 . 1 1 8 8 SER H H 8 7.810 7.810 8.088 -0.278 26538
71 1 12 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.484 -0.094 26538
72 1 12 . 1 1 9 9 ASP H H 9 7.960 7.960 8.190 -0.230 26538
73 1 13 . 1 1 7 7 THR HA H 7 4.040 4.040 4.085 -0.045 26538
74 1 13 . 1 1 7 7 THR H H 7 7.430 7.430 8.478 -1.048 26538
75 1 13 . 1 1 8 8 SER HA H 8 4.190 4.190 4.185 0.005 26538
76 1 13 . 1 1 8 8 SER H H 8 7.810 7.810 8.341 -0.531 26538
77 1 13 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.427 -0.037 26538
78 1 13 . 1 1 9 9 ASP H H 9 7.960 7.960 8.231 -0.271 26538
79 1 14 . 1 1 7 7 THR HA H 7 4.040 4.040 3.813 0.227 26538
80 1 14 . 1 1 7 7 THR H H 7 7.430 7.430 7.109 0.321 26538
81 1 14 . 1 1 8 8 SER HA H 8 4.190 4.190 4.250 -0.060 26538
82 1 14 . 1 1 8 8 SER H H 8 7.810 7.810 8.159 -0.349 26538
83 1 14 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.624 -0.234 26538
84 1 14 . 1 1 9 9 ASP H H 9 7.960 7.960 7.984 -0.024 26538
85 1 15 . 1 1 7 7 THR HA H 7 4.040 4.040 4.583 -0.543 26538
86 1 15 . 1 1 7 7 THR H H 7 7.430 7.430 8.428 -0.998 26538
87 1 15 . 1 1 8 8 SER HA H 8 4.190 4.190 4.181 0.009 26538
88 1 15 . 1 1 8 8 SER H H 8 7.810 7.810 7.829 -0.019 26538
89 1 15 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.441 -0.051 26538
90 1 15 . 1 1 9 9 ASP H H 9 7.960 7.960 8.551 -0.591 26538
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 0 0.000 0.000 0.000 26538
2 1 1 "Average Difference" HA 3 0.281 0.213 0.224 26538
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 26538
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 26538
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 26538
6 1 1 "Average Difference" HN 3 0.270 0.239 0.154 26538
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 26538
8 1 2 "Average Difference" HA 3 0.180 0.144 0.133 26538
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 26538
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 26538
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 26538
12 1 2 "Average Difference" HN 3 0.681 0.559 0.477 26538
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 26538
14 1 3 "Average Difference" HA 3 0.211 0.103 0.226 26538
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 26538
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 26538
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 26538
18 1 3 "Average Difference" HN 3 0.697 0.407 0.693 26538
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 26538
20 1 4 "Average Difference" HA 3 0.147 0.131 0.080 26538
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 26538
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 26538
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 26538
24 1 4 "Average Difference" HN 3 0.208 0.093 0.227 26538
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 26538
26 1 5 "Average Difference" HA 3 0.164 0.108 0.151 26538
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 26538
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 26538
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 26538
30 1 5 "Average Difference" HN 3 0.683 0.619 0.356 26538
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 26538
32 1 6 "Average Difference" HA 3 0.374 -0.123 0.432 26538
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 26538
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 26538
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 26538
36 1 6 "Average Difference" HN 3 0.410 0.140 0.472 26538
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 26538
38 1 7 "Average Difference" HA 3 0.329 0.323 0.076 26538
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 26538
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 26538
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 26538
42 1 7 "Average Difference" HN 3 0.687 0.486 0.594 26538
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 26538
44 1 8 "Average Difference" HA 3 0.271 0.231 0.175 26538
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 26538
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 26538
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 26538
48 1 8 "Average Difference" HN 3 0.697 0.565 0.500 26538
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 26538
50 1 9 "Average Difference" HA 3 0.208 -0.100 0.224 26538
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 26538
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 26538
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 26538
54 1 9 "Average Difference" HN 3 0.497 0.216 0.548 26538
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 26538
56 1 10 "Average Difference" HA 3 0.162 0.015 0.198 26538
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 26538
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 26538
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 26538
60 1 10 "Average Difference" HN 3 0.575 0.415 0.487 26538
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 26538
62 1 11 "Average Difference" HA 3 0.291 -0.168 0.291 26538
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 26538
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 26538
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 26538
66 1 11 "Average Difference" HN 3 0.574 0.207 0.656 26538
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 26538
68 1 12 "Average Difference" HA 3 0.143 0.135 0.058 26538
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 26538
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 26538
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 26538
72 1 12 "Average Difference" HN 3 0.554 0.466 0.368 26538
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 26538
74 1 13 "Average Difference" HA 3 0.034 0.026 0.027 26538
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 26538
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 26538
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 26538
78 1 13 "Average Difference" HN 3 0.696 0.617 0.396 26538
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 26538
80 1 14 "Average Difference" HA 3 0.191 0.023 0.233 26538
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 26538
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 26538
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 26538
84 1 14 "Average Difference" HN 3 0.274 0.018 0.335 26538
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 26538
86 1 15 "Average Difference" HA 3 0.315 0.195 0.303 26538
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 26538
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 26538
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 26538
90 1 15 "Average Difference" HN 3 0.670 0.536 0.492 26538
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 26538
_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 7 7 THR HA H 7 4.040 4.040 4.126 -0.086 26538
2 1 . 1 1 7 7 THR H H 7 7.430 7.430 8.209 -0.779 26538
3 1 . 1 1 8 8 SER HA H 8 4.190 4.190 4.220 -0.030 26538
4 1 . 1 1 8 8 SER H H 8 7.810 7.810 8.030 -0.220 26538
5 1 . 1 1 9 9 ASP HA H 9 4.390 4.390 4.525 -0.135 26538
6 1 . 1 1 9 9 ASP H H 9 7.960 7.960 8.076 -0.116 26538
stop_
save_