data_19129
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19129
_Entry.PDB_ID 2M6D
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 19129
_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 6 6 PRO HA H 6 4.262 4.262 4.372 -0.110 19129
2 1 1 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.137 -0.203 19129
3 1 1 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.764 0.049 19129
4 1 1 . 1 1 7 7 TRP H H 7 6.405 6.405 7.412 -1.007 19129
5 1 2 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.381 -0.119 19129
6 1 2 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.135 -0.201 19129
7 1 2 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.776 0.037 19129
8 1 2 . 1 1 7 7 TRP H H 7 6.405 6.405 7.533 -1.128 19129
9 1 3 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.380 -0.118 19129
10 1 3 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.139 -0.205 19129
11 1 3 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.772 0.041 19129
12 1 3 . 1 1 7 7 TRP H H 7 6.405 6.405 7.504 -1.099 19129
13 1 13 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.384 -0.122 19129
14 1 13 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.081 -0.147 19129
15 1 13 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.811 0.002 19129
16 1 13 . 1 1 7 7 TRP H H 7 6.405 6.405 7.480 -1.075 19129
17 1 14 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.385 -0.123 19129
18 1 14 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.078 -0.144 19129
19 1 14 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.811 0.002 19129
20 1 14 . 1 1 7 7 TRP H H 7 6.405 6.405 7.488 -1.083 19129
21 1 15 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.384 -0.122 19129
22 1 15 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.082 -0.148 19129
23 1 15 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.810 0.003 19129
24 1 15 . 1 1 7 7 TRP H H 7 6.405 6.405 7.480 -1.075 19129
25 1 16 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.385 -0.123 19129
26 1 16 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.078 -0.144 19129
27 1 16 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.812 0.001 19129
28 1 16 . 1 1 7 7 TRP H H 7 6.405 6.405 7.488 -1.083 19129
29 1 17 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.383 -0.121 19129
30 1 17 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.085 -0.151 19129
31 1 17 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.811 0.002 19129
32 1 17 . 1 1 7 7 TRP H H 7 6.405 6.405 7.473 -1.068 19129
33 1 18 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.383 -0.121 19129
34 1 18 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.081 -0.147 19129
35 1 18 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.811 0.002 19129
36 1 18 . 1 1 7 7 TRP H H 7 6.405 6.405 7.482 -1.077 19129
37 1 20 . 1 1 6 6 PRO HA H 6 4.262 4.262 4.379 -0.117 19129
38 1 20 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.075 -0.141 19129
39 1 20 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.811 0.002 19129
40 1 20 . 1 1 7 7 TRP H H 7 6.405 6.405 7.478 -1.073 19129
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 19129
2 1 1 "Average Difference" HA 2 0.085 0.031 0.112 19129
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19129
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19129
5 1 1 "Average Difference" CB 1 0.203 0.203 0.000 19129
6 1 1 "Average Difference" HN 1 1.007 1.007 0.000 19129
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19129
8 1 2 "Average Difference" HA 2 0.088 0.041 0.110 19129
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19129
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19129
11 1 2 "Average Difference" CB 1 0.201 0.201 0.000 19129
12 1 2 "Average Difference" HN 1 1.128 1.128 0.000 19129
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19129
14 1 3 "Average Difference" HA 2 0.088 0.039 0.112 19129
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19129
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19129
17 1 3 "Average Difference" CB 1 0.205 0.205 0.000 19129
18 1 3 "Average Difference" HN 1 1.099 1.099 0.000 19129
19 1 13 "Average Difference" N 0 0.000 0.000 0.000 19129
20 1 13 "Average Difference" HA 2 0.086 0.060 0.088 19129
21 1 13 "Average Difference" C 0 0.000 0.000 0.000 19129
22 1 13 "Average Difference" CA 0 0.000 0.000 0.000 19129
23 1 13 "Average Difference" CB 1 0.147 0.147 0.000 19129
24 1 13 "Average Difference" HN 1 1.075 1.075 0.000 19129
25 1 14 "Average Difference" N 0 0.000 0.000 0.000 19129
26 1 14 "Average Difference" HA 2 0.087 0.061 0.089 19129
27 1 14 "Average Difference" C 0 0.000 0.000 0.000 19129
28 1 14 "Average Difference" CA 0 0.000 0.000 0.000 19129
29 1 14 "Average Difference" CB 1 0.144 0.144 0.000 19129
30 1 14 "Average Difference" HN 1 1.083 1.083 0.000 19129
31 1 15 "Average Difference" N 0 0.000 0.000 0.000 19129
32 1 15 "Average Difference" HA 2 0.086 0.060 0.088 19129
33 1 15 "Average Difference" C 0 0.000 0.000 0.000 19129
34 1 15 "Average Difference" CA 0 0.000 0.000 0.000 19129
35 1 15 "Average Difference" CB 1 0.148 0.148 0.000 19129
36 1 15 "Average Difference" HN 1 1.075 1.075 0.000 19129
37 1 16 "Average Difference" N 0 0.000 0.000 0.000 19129
38 1 16 "Average Difference" HA 2 0.087 0.061 0.088 19129
39 1 16 "Average Difference" C 0 0.000 0.000 0.000 19129
40 1 16 "Average Difference" CA 0 0.000 0.000 0.000 19129
41 1 16 "Average Difference" CB 1 0.144 0.144 0.000 19129
42 1 16 "Average Difference" HN 1 1.083 1.083 0.000 19129
43 1 17 "Average Difference" N 0 0.000 0.000 0.000 19129
44 1 17 "Average Difference" HA 2 0.085 0.059 0.087 19129
45 1 17 "Average Difference" C 0 0.000 0.000 0.000 19129
46 1 17 "Average Difference" CA 0 0.000 0.000 0.000 19129
47 1 17 "Average Difference" CB 1 0.151 0.151 0.000 19129
48 1 17 "Average Difference" HN 1 1.068 1.068 0.000 19129
49 1 18 "Average Difference" N 0 0.000 0.000 0.000 19129
50 1 18 "Average Difference" HA 2 0.085 0.059 0.087 19129
51 1 18 "Average Difference" C 0 0.000 0.000 0.000 19129
52 1 18 "Average Difference" CA 0 0.000 0.000 0.000 19129
53 1 18 "Average Difference" CB 1 0.147 0.147 0.000 19129
54 1 18 "Average Difference" HN 1 1.077 1.077 0.000 19129
55 1 20 "Average Difference" N 0 0.000 0.000 0.000 19129
56 1 20 "Average Difference" HA 2 0.083 0.057 0.084 19129
57 1 20 "Average Difference" C 0 0.000 0.000 0.000 19129
58 1 20 "Average Difference" CA 0 0.000 0.000 0.000 19129
59 1 20 "Average Difference" CB 1 0.141 0.141 0.000 19129
60 1 20 "Average Difference" HN 1 1.073 1.073 0.000 19129
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 19129
_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 6 6 PRO HA H 6 4.262 4.262 4.382 -0.120 19129
2 1 . 1 1 6 6 PRO CB C 6 31.934 31.934 32.097 -0.163 19129
3 1 . 1 1 7 7 TRP HA H 7 4.813 4.813 4.799 0.014 19129
4 1 . 1 1 7 7 TRP H H 7 6.405 6.405 7.482 -1.077 19129
stop_
save_