data_25741
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25741
_Entry.PDB_ID 2N5Y
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 25741
_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 10 10 GLU HA H 10 4.540 4.540 4.587 -0.047 25741
2 1 1 . 1 1 10 10 GLU H H 10 8.393 8.393 8.440 -0.047 25741
3 1 2 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.570 0.970 25741
4 1 2 . 1 1 10 10 GLU H H 10 8.393 8.393 7.633 0.760 25741
5 1 3 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.417 0.123 25741
6 1 3 . 1 1 10 10 GLU H H 10 8.393 8.393 7.645 0.748 25741
7 1 4 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.272 0.268 25741
8 1 4 . 1 1 10 10 GLU H H 10 8.393 8.393 7.687 0.706 25741
9 1 5 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.266 0.274 25741
10 1 5 . 1 1 10 10 GLU H H 10 8.393 8.393 7.916 0.477 25741
11 1 6 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.531 1.009 25741
12 1 6 . 1 1 10 10 GLU H H 10 8.393 8.393 7.591 0.802 25741
13 1 7 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.532 0.008 25741
14 1 7 . 1 1 10 10 GLU H H 10 8.393 8.393 8.454 -0.061 25741
15 1 8 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.497 1.043 25741
16 1 8 . 1 1 10 10 GLU H H 10 8.393 8.393 7.800 0.593 25741
17 1 9 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.561 -0.021 25741
18 1 9 . 1 1 10 10 GLU H H 10 8.393 8.393 8.871 -0.478 25741
19 1 10 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.516 0.024 25741
20 1 10 . 1 1 10 10 GLU H H 10 8.393 8.393 9.095 -0.702 25741
21 1 11 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.041 0.499 25741
22 1 11 . 1 1 10 10 GLU H H 10 8.393 8.393 8.485 -0.092 25741
23 1 12 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.252 0.288 25741
24 1 12 . 1 1 10 10 GLU H H 10 8.393 8.393 8.345 0.048 25741
25 1 13 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.270 0.270 25741
26 1 13 . 1 1 10 10 GLU H H 10 8.393 8.393 8.550 -0.157 25741
27 1 14 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.821 0.719 25741
28 1 14 . 1 1 10 10 GLU H H 10 8.393 8.393 7.469 0.924 25741
29 1 15 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.670 0.870 25741
30 1 15 . 1 1 10 10 GLU H H 10 8.393 8.393 7.589 0.804 25741
31 1 16 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.840 -0.300 25741
32 1 16 . 1 1 10 10 GLU H H 10 8.393 8.393 8.743 -0.350 25741
33 1 17 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.046 0.494 25741
34 1 17 . 1 1 10 10 GLU H H 10 8.393 8.393 7.490 0.903 25741
35 1 18 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.390 0.150 25741
36 1 18 . 1 1 10 10 GLU H H 10 8.393 8.393 7.662 0.731 25741
37 1 19 . 1 1 10 10 GLU HA H 10 4.540 4.540 3.836 0.704 25741
38 1 19 . 1 1 10 10 GLU H H 10 8.393 8.393 8.514 -0.121 25741
39 1 20 . 1 1 10 10 GLU HA H 10 4.540 4.540 4.146 0.394 25741
40 1 20 . 1 1 10 10 GLU H H 10 8.393 8.393 8.547 -0.154 25741
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 25741
2 1 1 "Average Difference" HA 1 0.047 0.047 0.000 25741
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25741
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25741
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25741
6 1 1 "Average Difference" HN 1 0.047 0.047 0.000 25741
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25741
8 1 2 "Average Difference" HA 1 0.970 -0.970 0.000 25741
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25741
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25741
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25741
12 1 2 "Average Difference" HN 1 0.760 -0.760 0.000 25741
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25741
14 1 3 "Average Difference" HA 1 0.123 -0.123 0.000 25741
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25741
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25741
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25741
18 1 3 "Average Difference" HN 1 0.748 -0.748 0.000 25741
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25741
20 1 4 "Average Difference" HA 1 0.268 -0.268 0.000 25741
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25741
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25741
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25741
24 1 4 "Average Difference" HN 1 0.706 -0.706 0.000 25741
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25741
26 1 5 "Average Difference" HA 1 0.274 -0.274 0.000 25741
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25741
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25741
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25741
30 1 5 "Average Difference" HN 1 0.477 -0.477 0.000 25741
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25741
32 1 6 "Average Difference" HA 1 1.009 -1.009 0.000 25741
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25741
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25741
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25741
36 1 6 "Average Difference" HN 1 0.802 -0.802 0.000 25741
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25741
38 1 7 "Average Difference" HA 1 0.008 -0.008 0.000 25741
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25741
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25741
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25741
42 1 7 "Average Difference" HN 1 0.061 0.061 0.000 25741
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25741
44 1 8 "Average Difference" HA 1 1.043 -1.043 0.000 25741
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25741
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25741
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25741
48 1 8 "Average Difference" HN 1 0.593 -0.593 0.000 25741
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25741
50 1 9 "Average Difference" HA 1 0.021 0.021 0.000 25741
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25741
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25741
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25741
54 1 9 "Average Difference" HN 1 0.478 0.478 0.000 25741
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25741
56 1 10 "Average Difference" HA 1 0.024 -0.024 0.000 25741
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25741
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25741
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25741
60 1 10 "Average Difference" HN 1 0.702 0.702 0.000 25741
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25741
62 1 11 "Average Difference" HA 1 0.499 -0.499 0.000 25741
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25741
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25741
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25741
66 1 11 "Average Difference" HN 1 0.092 0.092 0.000 25741
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25741
68 1 12 "Average Difference" HA 1 0.288 -0.288 0.000 25741
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25741
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25741
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25741
72 1 12 "Average Difference" HN 1 0.048 -0.048 0.000 25741
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25741
74 1 13 "Average Difference" HA 1 0.270 -0.270 0.000 25741
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25741
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25741
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25741
78 1 13 "Average Difference" HN 1 0.157 0.157 0.000 25741
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25741
80 1 14 "Average Difference" HA 1 0.719 -0.719 0.000 25741
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25741
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25741
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25741
84 1 14 "Average Difference" HN 1 0.924 -0.924 0.000 25741
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25741
86 1 15 "Average Difference" HA 1 0.870 -0.870 0.000 25741
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25741
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25741
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25741
90 1 15 "Average Difference" HN 1 0.804 -0.804 0.000 25741
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25741
92 1 16 "Average Difference" HA 1 0.300 0.300 0.000 25741
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25741
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25741
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25741
96 1 16 "Average Difference" HN 1 0.350 0.350 0.000 25741
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25741
98 1 17 "Average Difference" HA 1 0.494 -0.494 0.000 25741
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25741
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25741
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25741
102 1 17 "Average Difference" HN 1 0.903 -0.903 0.000 25741
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25741
104 1 18 "Average Difference" HA 1 0.150 -0.150 0.000 25741
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25741
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25741
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25741
108 1 18 "Average Difference" HN 1 0.731 -0.731 0.000 25741
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25741
110 1 19 "Average Difference" HA 1 0.704 -0.704 0.000 25741
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25741
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25741
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25741
114 1 19 "Average Difference" HN 1 0.121 0.121 0.000 25741
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25741
116 1 20 "Average Difference" HA 1 0.394 -0.394 0.000 25741
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25741
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25741
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25741
120 1 20 "Average Difference" HN 1 0.154 0.154 0.000 25741
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 25741
_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 10 10 GLU HA H 10 4.540 4.540 4.153 0.387 25741
2 1 . 1 1 10 10 GLU H H 10 8.393 8.393 8.126 0.267 25741
stop_
save_