data_19132
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19132
_Entry.PDB_ID 2M6G
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 19132
_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 CYS HA H 2 4.932 4.932 4.969 -0.037 19132
2 1 1 . 1 1 2 2 CYS H H 2 8.353 8.353 8.423 -0.070 19132
3 1 1 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.317 -0.057 19132
4 1 1 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.798 -0.009 19132
5 1 1 . 1 1 7 7 TRP H H 7 6.519 6.519 8.076 -1.557 19132
6 1 2 . 1 1 2 2 CYS HA H 2 4.932 4.932 5.179 -0.247 19132
7 1 2 . 1 1 2 2 CYS H H 2 8.353 8.353 8.171 0.182 19132
8 1 2 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.387 -0.127 19132
9 1 2 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.784 0.005 19132
10 1 2 . 1 1 7 7 TRP H H 7 6.519 6.519 8.063 -1.544 19132
11 1 3 . 1 1 2 2 CYS HA H 2 4.932 4.932 5.130 -0.198 19132
12 1 3 . 1 1 2 2 CYS H H 2 8.353 8.353 8.214 0.139 19132
13 1 3 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.199 0.061 19132
14 1 3 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.834 -0.045 19132
15 1 3 . 1 1 7 7 TRP H H 7 6.519 6.519 7.980 -1.461 19132
16 1 4 . 1 1 2 2 CYS HA H 2 4.932 4.932 4.900 0.032 19132
17 1 4 . 1 1 2 2 CYS H H 2 8.353 8.353 8.455 -0.102 19132
18 1 4 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.335 -0.075 19132
19 1 4 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.811 -0.022 19132
20 1 4 . 1 1 7 7 TRP H H 7 6.519 6.519 8.051 -1.532 19132
21 1 5 . 1 1 2 2 CYS HA H 2 4.932 4.932 5.166 -0.234 19132
22 1 5 . 1 1 2 2 CYS H H 2 8.353 8.353 8.208 0.145 19132
23 1 5 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.374 -0.114 19132
24 1 5 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.789 0.000 19132
25 1 5 . 1 1 7 7 TRP H H 7 6.519 6.519 8.104 -1.585 19132
26 1 6 . 1 1 2 2 CYS HA H 2 4.932 4.932 4.801 0.131 19132
27 1 6 . 1 1 2 2 CYS H H 2 8.353 8.353 8.446 -0.093 19132
28 1 6 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.172 0.088 19132
29 1 6 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.841 -0.052 19132
30 1 6 . 1 1 7 7 TRP H H 7 6.519 6.519 7.908 -1.389 19132
31 1 7 . 1 1 2 2 CYS HA H 2 4.932 4.932 4.943 -0.011 19132
32 1 7 . 1 1 2 2 CYS H H 2 8.353 8.353 8.403 -0.050 19132
33 1 7 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.204 0.056 19132
34 1 7 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.829 -0.040 19132
35 1 7 . 1 1 7 7 TRP H H 7 6.519 6.519 8.036 -1.517 19132
36 1 8 . 1 1 2 2 CYS HA H 2 4.932 4.932 4.973 -0.041 19132
37 1 8 . 1 1 2 2 CYS H H 2 8.353 8.353 8.317 0.036 19132
38 1 8 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.170 0.090 19132
39 1 8 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.847 -0.058 19132
40 1 8 . 1 1 7 7 TRP H H 7 6.519 6.519 7.872 -1.353 19132
41 1 9 . 1 1 2 2 CYS HA H 2 4.932 4.932 5.180 -0.248 19132
42 1 9 . 1 1 2 2 CYS H H 2 8.353 8.353 8.133 0.220 19132
43 1 9 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.219 0.041 19132
44 1 9 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.836 -0.047 19132
45 1 9 . 1 1 7 7 TRP H H 7 6.519 6.519 7.952 -1.433 19132
46 1 10 . 1 1 2 2 CYS HA H 2 4.932 4.932 5.133 -0.201 19132
47 1 10 . 1 1 2 2 CYS H H 2 8.353 8.353 8.372 -0.019 19132
48 1 10 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.391 -0.131 19132
49 1 10 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.800 -0.011 19132
50 1 10 . 1 1 7 7 TRP H H 7 6.519 6.519 8.031 -1.512 19132
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 19132
2 1 1 "Average Difference" HA 3 0.040 0.034 0.024 19132
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19132
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19132
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19132
6 1 1 "Average Difference" HN 2 1.102 0.813 1.051 19132
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19132
8 1 2 "Average Difference" HA 3 0.160 0.123 0.126 19132
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19132
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19132
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19132
12 1 2 "Average Difference" HN 2 1.100 0.681 1.221 19132
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19132
14 1 3 "Average Difference" HA 3 0.122 0.061 0.130 19132
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19132
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19132
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19132
18 1 3 "Average Difference" HN 2 1.038 0.661 1.132 19132
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19132
20 1 4 "Average Difference" HA 3 0.049 0.022 0.054 19132
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19132
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19132
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19132
24 1 4 "Average Difference" HN 2 1.085 0.817 1.011 19132
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19132
26 1 5 "Average Difference" HA 3 0.150 0.116 0.117 19132
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19132
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19132
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19132
30 1 5 "Average Difference" HN 2 1.125 0.720 1.223 19132
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19132
32 1 6 "Average Difference" HA 3 0.096 -0.056 0.096 19132
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19132
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19132
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19132
36 1 6 "Average Difference" HN 2 0.984 0.741 0.917 19132
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19132
38 1 7 "Average Difference" HA 3 0.040 -0.002 0.050 19132
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19132
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19132
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19132
42 1 7 "Average Difference" HN 2 1.074 0.784 1.038 19132
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19132
44 1 8 "Average Difference" HA 3 0.067 0.003 0.081 19132
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19132
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19132
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19132
48 1 8 "Average Difference" HN 2 0.957 0.658 0.982 19132
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19132
50 1 9 "Average Difference" HA 3 0.148 0.085 0.148 19132
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19132
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19132
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19132
54 1 9 "Average Difference" HN 2 1.025 0.606 1.169 19132
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19132
56 1 10 "Average Difference" HA 3 0.139 0.115 0.096 19132
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19132
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19132
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19132
60 1 10 "Average Difference" HN 2 1.069 0.765 1.056 19132
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 19132
_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 CYS HA H 2 4.932 4.932 5.037 -0.105 19132
2 1 . 1 1 2 2 CYS H H 2 8.353 8.353 8.314 0.039 19132
3 1 . 1 1 6 6 PRO HA H 6 4.260 4.260 4.277 -0.017 19132
4 1 . 1 1 7 7 TRP HA H 7 4.789 4.789 4.817 -0.028 19132
5 1 . 1 1 7 7 TRP H H 7 6.519 6.519 8.007 -1.488 19132
stop_
save_