data_19131
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19131
_Entry.PDB_ID 2M6F
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 19131
_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 4.930 4.930 4.780 0.150 19131
2 1 1 . 1 1 2 2 CYS H H 2 8.817 8.817 8.212 0.605 19131
3 1 1 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131
4 1 1 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.050 -0.802 19131
5 1 1 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.034 -2.114 19131
6 1 1 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
7 1 1 . 1 1 7 7 TRP H H 7 6.549 6.549 7.088 -0.539 19131
8 1 2 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.811 0.119 19131
9 1 2 . 1 1 2 2 CYS H H 2 8.817 8.817 8.176 0.641 19131
10 1 2 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131
11 1 2 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.049 -0.801 19131
12 1 2 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.032 -2.112 19131
13 1 2 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131
14 1 2 . 1 1 7 7 TRP H H 7 6.549 6.549 7.085 -0.536 19131
15 1 3 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.800 0.130 19131
16 1 3 . 1 1 2 2 CYS H H 2 8.817 8.817 8.225 0.592 19131
17 1 3 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.301 -0.099 19131
18 1 3 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.052 -0.804 19131
19 1 3 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.033 -2.113 19131
20 1 3 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131
21 1 3 . 1 1 7 7 TRP H H 7 6.549 6.549 7.092 -0.543 19131
22 1 4 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.803 0.127 19131
23 1 4 . 1 1 2 2 CYS H H 2 8.817 8.817 8.164 0.653 19131
24 1 4 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.302 -0.100 19131
25 1 4 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.051 -0.803 19131
26 1 4 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.038 -2.118 19131
27 1 4 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131
28 1 4 . 1 1 7 7 TRP H H 7 6.549 6.549 7.091 -0.542 19131
29 1 5 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.796 0.134 19131
30 1 5 . 1 1 2 2 CYS H H 2 8.817 8.817 8.166 0.651 19131
31 1 5 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.303 -0.101 19131
32 1 5 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.048 -0.800 19131
33 1 5 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.040 -2.120 19131
34 1 5 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.942 -0.275 19131
35 1 5 . 1 1 7 7 TRP H H 7 6.549 6.549 7.089 -0.540 19131
36 1 6 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.778 0.152 19131
37 1 6 . 1 1 2 2 CYS H H 2 8.817 8.817 8.499 0.318 19131
38 1 6 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.298 -0.096 19131
39 1 6 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.058 -0.810 19131
40 1 6 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.023 -2.103 19131
41 1 6 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
42 1 6 . 1 1 7 7 TRP H H 7 6.549 6.549 7.086 -0.537 19131
43 1 7 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.762 0.168 19131
44 1 7 . 1 1 2 2 CYS H H 2 8.817 8.817 8.410 0.407 19131
45 1 7 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.297 -0.095 19131
46 1 7 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.057 -0.809 19131
47 1 7 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.017 -2.097 19131
48 1 7 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
49 1 7 . 1 1 7 7 TRP H H 7 6.549 6.549 7.087 -0.538 19131
50 1 8 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.890 0.040 19131
51 1 8 . 1 1 2 2 CYS H H 2 8.817 8.817 8.476 0.341 19131
52 1 8 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131
53 1 8 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.028 -0.780 19131
54 1 8 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.991 -2.071 19131
55 1 8 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
56 1 8 . 1 1 7 7 TRP H H 7 6.549 6.549 7.023 -0.474 19131
57 1 9 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.857 0.073 19131
58 1 9 . 1 1 2 2 CYS H H 2 8.817 8.817 8.529 0.288 19131
59 1 9 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131
60 1 9 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.030 -0.782 19131
61 1 9 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.987 -2.067 19131
62 1 9 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.940 -0.273 19131
63 1 9 . 1 1 7 7 TRP H H 7 6.549 6.549 7.031 -0.482 19131
64 1 10 . 1 1 2 2 CYS HA H 2 4.930 4.930 4.877 0.053 19131
65 1 10 . 1 1 2 2 CYS H H 2 8.817 8.817 8.469 0.348 19131
66 1 10 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.288 -0.086 19131
67 1 10 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.030 -0.782 19131
68 1 10 . 1 1 6 6 PRO CB C 6 29.920 29.920 31.991 -2.071 19131
69 1 10 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
70 1 10 . 1 1 7 7 TRP H H 7 6.549 6.549 7.023 -0.474 19131
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 19131
2 1 1 "Average Difference" HA 3 0.189 0.075 0.213 19131
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19131
4 1 1 "Average Difference" CA 1 0.802 0.802 0.000 19131
5 1 1 "Average Difference" CB 1 2.114 2.114 0.000 19131
6 1 1 "Average Difference" HN 2 0.572 -0.033 0.808 19131
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19131
8 1 2 "Average Difference" HA 3 0.182 0.085 0.197 19131
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19131
10 1 2 "Average Difference" CA 1 0.801 0.801 0.000 19131
11 1 2 "Average Difference" CB 1 2.112 2.112 0.000 19131
12 1 2 "Average Difference" HN 2 0.591 -0.052 0.832 19131
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19131
14 1 3 "Average Difference" HA 3 0.185 0.081 0.203 19131
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19131
16 1 3 "Average Difference" CA 1 0.804 0.804 0.000 19131
17 1 3 "Average Difference" CB 1 2.113 2.113 0.000 19131
18 1 3 "Average Difference" HN 2 0.568 -0.025 0.803 19131
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19131
20 1 4 "Average Difference" HA 3 0.184 0.083 0.201 19131
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19131
22 1 4 "Average Difference" CA 1 0.803 0.803 0.000 19131
23 1 4 "Average Difference" CB 1 2.118 2.118 0.000 19131
24 1 4 "Average Difference" HN 2 0.600 -0.055 0.845 19131
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19131
26 1 5 "Average Difference" HA 3 0.186 0.081 0.205 19131
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19131
28 1 5 "Average Difference" CA 1 0.800 0.800 0.000 19131
29 1 5 "Average Difference" CB 1 2.120 2.120 0.000 19131
30 1 5 "Average Difference" HN 2 0.598 -0.055 0.842 19131
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19131
32 1 6 "Average Difference" HA 3 0.189 0.073 0.214 19131
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19131
34 1 6 "Average Difference" CA 1 0.810 0.810 0.000 19131
35 1 6 "Average Difference" CB 1 2.103 2.103 0.000 19131
36 1 6 "Average Difference" HN 2 0.442 0.110 0.605 19131
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19131
38 1 7 "Average Difference" HA 3 0.194 0.067 0.222 19131
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19131
40 1 7 "Average Difference" CA 1 0.809 0.809 0.000 19131
41 1 7 "Average Difference" CB 1 2.097 2.097 0.000 19131
42 1 7 "Average Difference" HN 2 0.477 0.066 0.668 19131
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19131
44 1 8 "Average Difference" HA 3 0.168 0.107 0.158 19131
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19131
46 1 8 "Average Difference" CA 1 0.780 0.780 0.000 19131
47 1 8 "Average Difference" CB 1 2.071 2.071 0.000 19131
48 1 8 "Average Difference" HN 2 0.413 0.067 0.576 19131
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19131
50 1 9 "Average Difference" HA 3 0.171 0.096 0.173 19131
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19131
52 1 9 "Average Difference" CA 1 0.782 0.782 0.000 19131
53 1 9 "Average Difference" CB 1 2.067 2.067 0.000 19131
54 1 9 "Average Difference" HN 2 0.397 0.097 0.544 19131
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19131
56 1 10 "Average Difference" HA 3 0.168 0.102 0.164 19131
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19131
58 1 10 "Average Difference" CA 1 0.782 0.782 0.000 19131
59 1 10 "Average Difference" CB 1 2.071 2.071 0.000 19131
60 1 10 "Average Difference" HN 2 0.416 0.063 0.582 19131
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 19131
_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 4.930 4.930 4.815 0.115 19131
2 1 . 1 1 2 2 CYS H H 2 8.817 8.817 8.333 0.484 19131
3 1 . 1 1 6 6 PRO HA H 6 4.202 4.202 4.297 -0.095 19131
4 1 . 1 1 6 6 PRO CA C 6 63.248 63.248 64.045 -0.797 19131
5 1 . 1 1 6 6 PRO CB C 6 29.920 29.920 32.019 -2.099 19131
6 1 . 1 1 7 7 TRP HA H 7 4.667 4.667 4.941 -0.274 19131
7 1 . 1 1 7 7 TRP H H 7 6.549 6.549 7.069 -0.521 19131
stop_
save_