data_25737
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25737
_Entry.PDB_ID 2N5W
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 25737
_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 4.545 4.545 4.469 0.076 25737
2 1 1 . 1 1 10 10 GLU H H 10 8.426 8.426 8.806 -0.380 25737
3 1 2 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.482 0.063 25737
4 1 2 . 1 1 10 10 GLU H H 10 8.426 8.426 8.765 -0.339 25737
5 1 3 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.415 0.130 25737
6 1 3 . 1 1 10 10 GLU H H 10 8.426 8.426 8.996 -0.570 25737
7 1 4 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.479 0.066 25737
8 1 4 . 1 1 10 10 GLU H H 10 8.426 8.426 8.794 -0.368 25737
9 1 5 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.452 0.093 25737
10 1 5 . 1 1 10 10 GLU H H 10 8.426 8.426 8.753 -0.327 25737
11 1 6 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.566 -0.021 25737
12 1 6 . 1 1 10 10 GLU H H 10 8.426 8.426 8.656 -0.230 25737
13 1 7 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.465 0.080 25737
14 1 7 . 1 1 10 10 GLU H H 10 8.426 8.426 8.729 -0.303 25737
15 1 8 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.575 -0.030 25737
16 1 8 . 1 1 10 10 GLU H H 10 8.426 8.426 8.955 -0.529 25737
17 1 9 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.586 -0.041 25737
18 1 9 . 1 1 10 10 GLU H H 10 8.426 8.426 8.579 -0.153 25737
19 1 10 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.602 -0.057 25737
20 1 10 . 1 1 10 10 GLU H H 10 8.426 8.426 8.689 -0.263 25737
21 1 11 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.529 0.016 25737
22 1 11 . 1 1 10 10 GLU H H 10 8.426 8.426 8.787 -0.361 25737
23 1 12 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.478 0.067 25737
24 1 12 . 1 1 10 10 GLU H H 10 8.426 8.426 8.843 -0.417 25737
25 1 13 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.460 0.085 25737
26 1 13 . 1 1 10 10 GLU H H 10 8.426 8.426 8.551 -0.125 25737
27 1 14 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.473 0.072 25737
28 1 14 . 1 1 10 10 GLU H H 10 8.426 8.426 8.851 -0.425 25737
29 1 15 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.430 0.115 25737
30 1 15 . 1 1 10 10 GLU H H 10 8.426 8.426 8.936 -0.510 25737
31 1 16 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.415 0.130 25737
32 1 16 . 1 1 10 10 GLU H H 10 8.426 8.426 8.772 -0.346 25737
33 1 17 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.594 -0.049 25737
34 1 17 . 1 1 10 10 GLU H H 10 8.426 8.426 8.704 -0.278 25737
35 1 18 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.537 0.008 25737
36 1 18 . 1 1 10 10 GLU H H 10 8.426 8.426 8.758 -0.332 25737
37 1 19 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.472 0.073 25737
38 1 19 . 1 1 10 10 GLU H H 10 8.426 8.426 8.849 -0.423 25737
39 1 20 . 1 1 10 10 GLU HA H 10 4.545 4.545 4.454 0.091 25737
40 1 20 . 1 1 10 10 GLU H H 10 8.426 8.426 8.454 -0.028 25737
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 25737
2 1 1 "Average Difference" HA 1 0.076 -0.076 0.000 25737
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25737
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25737
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25737
6 1 1 "Average Difference" HN 1 0.380 0.380 0.000 25737
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25737
8 1 2 "Average Difference" HA 1 0.063 -0.063 0.000 25737
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25737
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25737
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25737
12 1 2 "Average Difference" HN 1 0.339 0.339 0.000 25737
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25737
14 1 3 "Average Difference" HA 1 0.130 -0.130 0.000 25737
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25737
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25737
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25737
18 1 3 "Average Difference" HN 1 0.570 0.570 0.000 25737
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25737
20 1 4 "Average Difference" HA 1 0.066 -0.066 0.000 25737
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25737
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25737
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25737
24 1 4 "Average Difference" HN 1 0.368 0.368 0.000 25737
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25737
26 1 5 "Average Difference" HA 1 0.093 -0.093 0.000 25737
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25737
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25737
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25737
30 1 5 "Average Difference" HN 1 0.327 0.327 0.000 25737
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25737
32 1 6 "Average Difference" HA 1 0.021 0.021 0.000 25737
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25737
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25737
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25737
36 1 6 "Average Difference" HN 1 0.230 0.230 0.000 25737
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25737
38 1 7 "Average Difference" HA 1 0.080 -0.080 0.000 25737
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25737
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25737
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25737
42 1 7 "Average Difference" HN 1 0.303 0.303 0.000 25737
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25737
44 1 8 "Average Difference" HA 1 0.030 0.030 0.000 25737
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25737
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25737
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25737
48 1 8 "Average Difference" HN 1 0.529 0.529 0.000 25737
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25737
50 1 9 "Average Difference" HA 1 0.041 0.041 0.000 25737
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25737
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25737
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25737
54 1 9 "Average Difference" HN 1 0.153 0.153 0.000 25737
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25737
56 1 10 "Average Difference" HA 1 0.057 0.057 0.000 25737
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25737
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25737
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25737
60 1 10 "Average Difference" HN 1 0.263 0.263 0.000 25737
61 1 11 "Average Difference" N 0 0.000 0.000 0.000 25737
62 1 11 "Average Difference" HA 1 0.016 -0.016 0.000 25737
63 1 11 "Average Difference" C 0 0.000 0.000 0.000 25737
64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 25737
65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 25737
66 1 11 "Average Difference" HN 1 0.361 0.361 0.000 25737
67 1 12 "Average Difference" N 0 0.000 0.000 0.000 25737
68 1 12 "Average Difference" HA 1 0.067 -0.067 0.000 25737
69 1 12 "Average Difference" C 0 0.000 0.000 0.000 25737
70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 25737
71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 25737
72 1 12 "Average Difference" HN 1 0.417 0.417 0.000 25737
73 1 13 "Average Difference" N 0 0.000 0.000 0.000 25737
74 1 13 "Average Difference" HA 1 0.085 -0.085 0.000 25737
75 1 13 "Average Difference" C 0 0.000 0.000 0.000 25737
76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 25737
77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 25737
78 1 13 "Average Difference" HN 1 0.125 0.125 0.000 25737
79 1 14 "Average Difference" N 0 0.000 0.000 0.000 25737
80 1 14 "Average Difference" HA 1 0.072 -0.072 0.000 25737
81 1 14 "Average Difference" C 0 0.000 0.000 0.000 25737
82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 25737
83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 25737
84 1 14 "Average Difference" HN 1 0.425 0.425 0.000 25737
85 1 15 "Average Difference" N 0 0.000 0.000 0.000 25737
86 1 15 "Average Difference" HA 1 0.115 -0.115 0.000 25737
87 1 15 "Average Difference" C 0 0.000 0.000 0.000 25737
88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 25737
89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 25737
90 1 15 "Average Difference" HN 1 0.510 0.510 0.000 25737
91 1 16 "Average Difference" N 0 0.000 0.000 0.000 25737
92 1 16 "Average Difference" HA 1 0.130 -0.130 0.000 25737
93 1 16 "Average Difference" C 0 0.000 0.000 0.000 25737
94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 25737
95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 25737
96 1 16 "Average Difference" HN 1 0.346 0.346 0.000 25737
97 1 17 "Average Difference" N 0 0.000 0.000 0.000 25737
98 1 17 "Average Difference" HA 1 0.049 0.049 0.000 25737
99 1 17 "Average Difference" C 0 0.000 0.000 0.000 25737
100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 25737
101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 25737
102 1 17 "Average Difference" HN 1 0.278 0.278 0.000 25737
103 1 18 "Average Difference" N 0 0.000 0.000 0.000 25737
104 1 18 "Average Difference" HA 1 0.008 -0.008 0.000 25737
105 1 18 "Average Difference" C 0 0.000 0.000 0.000 25737
106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 25737
107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 25737
108 1 18 "Average Difference" HN 1 0.332 0.332 0.000 25737
109 1 19 "Average Difference" N 0 0.000 0.000 0.000 25737
110 1 19 "Average Difference" HA 1 0.073 -0.073 0.000 25737
111 1 19 "Average Difference" C 0 0.000 0.000 0.000 25737
112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 25737
113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 25737
114 1 19 "Average Difference" HN 1 0.423 0.423 0.000 25737
115 1 20 "Average Difference" N 0 0.000 0.000 0.000 25737
116 1 20 "Average Difference" HA 1 0.091 -0.091 0.000 25737
117 1 20 "Average Difference" C 0 0.000 0.000 0.000 25737
118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 25737
119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 25737
120 1 20 "Average Difference" HN 1 0.028 0.028 0.000 25737
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 25737
_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 4.545 4.545 4.497 0.048 25737
2 1 . 1 1 10 10 GLU H H 10 8.426 8.426 8.761 -0.335 25737
stop_
save_