NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
606919 |
5kqe   |
30132 | cing | 2-parsed | STAR | dipolar coupling | 81 |
data_5kqe_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5kqe
_Study_list.ID 1
loop_
_Study.ID
_Study.Name
_Study.Type
_Study.Details
_Study.Entry_ID
_Study.Study_list_ID
1 "Conversion project" NMR . parsed_5kqe 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5kqe
_Entry.Title "Original constraint list(s)"
_Entry.Version_type original
_Entry.Submission_date .
_Entry.Accession_date .
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination .
_Entry.NMR_STAR_version 3.1
_Entry.Original_NMR_STAR_version .
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 5kqe "Master copy" parsed_5kqe
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5kqe
_Constraint_stat_list.ID 1
loop_
_Constraint_file.ID
_Constraint_file.Constraint_filename
_Constraint_file.Software_ID
_Constraint_file.Software_label
_Constraint_file.Software_name
_Constraint_file.Block_ID
_Constraint_file.Constraint_type
_Constraint_file.Constraint_subtype
_Constraint_file.Constraint_subsubtype
_Constraint_file.Constraint_number
_Constraint_file.Entry_ID
_Constraint_file.Constraint_stat_list_ID
1 5kqe.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kqe 1
1 5kqe.mr . . XPLOR/CNS 2 distance NOE simple 806 parsed_5kqe 1
1 5kqe.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 240 parsed_5kqe 1
1 5kqe.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 81 parsed_5kqe 1
1 5kqe.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kqe 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5kqe
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 6.386 1.273 11.499 . . . 2 . N1 . 2 . H1 parsed_5kqe 1
2 . . . . . . . . . . . . . . . . 18.392 13.279 23.505 . . . 3 . N1 . 3 . H1 parsed_5kqe 1
3 . . . . . . . . . . . . . . . . 12.576 7.463 17.689 . . . 4 . N3 . 4 . H3 parsed_5kqe 1
4 . . . . . . . . . . . . . . . . 23.188 18.075 28.301 . . . 34 . N3 . 34 . H3 parsed_5kqe 1
5 . . . . . . . . . . . . . . . . -37.740 -40.259 -35.221 . . . 1 . C8 . 1 . H8 parsed_5kqe 1
6 . . . . . . . . . . . . . . . . -15.147 -17.666 -12.628 . . . 2 . C8 . 2 . H8 parsed_5kqe 1
7 . . . . . . . . . . . . . . . . 8.328 5.809 10.847 . . . 3 . C8 . 3 . H8 parsed_5kqe 1
8 . . . . . . . . . . . . . . . . 3.832 1.313 6.351 . . . 5 . C8 . 5 . H8 parsed_5kqe 1
9 . . . . . . . . . . . . . . . . -21.683 -24.202 -19.164 . . . 31 . C8 . 31 . H8 parsed_5kqe 1
10 . . . . . . . . . . . . . . . . 14.278 11.759 16.797 . . . 4 . C6 . 4 . H6 parsed_5kqe 1
11 . . . . . . . . . . . . . . . . -23.175 -25.694 -20.656 . . . 6 . C6 . 6 . H6 parsed_5kqe 1
12 . . . . . . . . . . . . . . . . -12.641 -15.160 -10.122 . . . 32 . C6 . 32 . H6 parsed_5kqe 1
13 . . . . . . . . . . . . . . . . 15.685 13.166 18.204 . . . 34 . C6 . 34 . H6 parsed_5kqe 1
14 . . . . . . . . . . . . . . . . 3.256 0.737 5.775 . . . 35 . C6 . 35 . H6 parsed_5kqe 1
15 . . . . . . . . . . . . . . . . -22.671 -25.190 -20.152 . . . 36 . C6 . 36 . H6 parsed_5kqe 1
16 . . . . . . . . . . . . . . . . -17.651 -20.241 -15.061 . . . 2 . C1' . 2 . H1' parsed_5kqe 1
17 . . . . . . . . . . . . . . . . -15.517 -18.107 -12.927 . . . 3 . C1' . 3 . H1' parsed_5kqe 1
18 . . . . . . . . . . . . . . . . 3.789 1.199 6.379 . . . 4 . C1' . 4 . H1' parsed_5kqe 1
19 . . . . . . . . . . . . . . . . 23.611 21.021 26.201 . . . 6 . C1' . 6 . H1' parsed_5kqe 1
20 . . . . . . . . . . . . . . . . 13.672 11.082 16.262 . . . 31 . C1' . 31 . H1' parsed_5kqe 1
21 . . . . . . . . . . . . . . . . 12.703 10.113 15.293 . . . 32 . C1' . 32 . H1' parsed_5kqe 1
22 . . . . . . . . . . . . . . . . 15.521 12.931 18.111 . . . 33 . C1' . 33 . H1' parsed_5kqe 1
23 . . . . . . . . . . . . . . . . 20.133 17.543 22.723 . . . 34 . C1' . 34 . H1' parsed_5kqe 1
24 . . . . . . . . . . . . . . . . 17.786 15.196 20.376 . . . 35 . C1' . 35 . H1' parsed_5kqe 1
25 . . . . . . . . . . . . . . . . -0.236 -2.755 2.283 . . . 4 . C5 . 4 . H5 parsed_5kqe 1
26 . . . . . . . . . . . . . . . . 15.603 13.084 18.122 . . . 6 . C5 . 6 . H5 parsed_5kqe 1
27 . . . . . . . . . . . . . . . . -7.866 -10.385 -5.347 . . . 32 . C5 . 32 . H5 parsed_5kqe 1
28 . . . . . . . . . . . . . . . . -1.751 -4.270 0.768 . . . 34 . C5 . 34 . H5 parsed_5kqe 1
29 . . . . . . . . . . . . . . . . 10.947 8.428 13.466 . . . 35 . C5 . 35 . H5 parsed_5kqe 1
30 . . . . . . . . . . . . . . . . 14.931 12.412 17.450 . . . 36 . C5 . 36 . H5 parsed_5kqe 1
31 . . . . . . . . . . . . . . . . -20.435 -22.954 -17.916 . . . 7 . C2 . 7 . H2 parsed_5kqe 1
32 . . . . . . . . . . . . . . . . -2.827 -5.346 -0.308 . . . 31 . C2 . 31 . H2 parsed_5kqe 1
33 . . . . . . . . . . . . . . . . -21.226 -23.745 -18.707 . . . 33 . C2 . 33 . H2 parsed_5kqe 1
34 . . . . . . . . . . . . . . . . 30.494 25.381 35.607 . . . 14 . N1 . 14 . H1 parsed_5kqe 1
35 . . . . . . . . . . . . . . . . 40.204 35.091 45.317 . . . 15 . N3 . 15 . H3 parsed_5kqe 1
36 . . . . . . . . . . . . . . . . 40.360 35.247 45.473 . . . 16 . N3 . 16 . H3 parsed_5kqe 1
37 . . . . . . . . . . . . . . . . 26.672 21.559 31.785 . . . 17 . N3 . 17 . H3 parsed_5kqe 1
38 . . . . . . . . . . . . . . . . 9.042 3.929 14.155 . . . 23 . N1 . 23 . H1 parsed_5kqe 1
39 . . . . . . . . . . . . . . . . 16.983 11.870 22.096 . . . 24 . N1 . 24 . H1 parsed_5kqe 1
40 . . . . . . . . . . . . . . . . 7.485 4.966 10.004 . . . 14 . C8 . 14 . H8 parsed_5kqe 1
41 . . . . . . . . . . . . . . . . 17.565 15.046 20.084 . . . 18 . C8 . 18 . H8 parsed_5kqe 1
42 . . . . . . . . . . . . . . . . 3.668 1.149 6.187 . . . 23 . C8 . 23 . H8 parsed_5kqe 1
43 . . . . . . . . . . . . . . . . 19.779 17.260 22.298 . . . 24 . C8 . 24 . H8 parsed_5kqe 1
44 . . . . . . . . . . . . . . . . 30.091 27.572 32.610 . . . 27 . C8 . 27 . H8 parsed_5kqe 1
45 . . . . . . . . . . . . . . . . 36.116 33.597 38.635 . . . 28 . C8 . 28 . H8 parsed_5kqe 1
46 . . . . . . . . . . . . . . . . 37.425 34.906 39.944 . . . 15 . C6 . 15 . H6 parsed_5kqe 1
47 . . . . . . . . . . . . . . . . 34.268 31.749 36.787 . . . 16 . C6 . 16 . H6 parsed_5kqe 1
48 . . . . . . . . . . . . . . . . 26.271 23.752 28.790 . . . 17 . C6 . 17 . H6 parsed_5kqe 1
49 . . . . . . . . . . . . . . . . 15.037 12.518 17.556 . . . 19 . C6 . 19 . H6 parsed_5kqe 1
50 . . . . . . . . . . . . . . . . 16.006 13.487 18.525 . . . 20 . C6 . 20 . H6 parsed_5kqe 1
51 . . . . . . . . . . . . . . . . 12.738 10.219 15.257 . . . 25 . C6 . 25 . H6 parsed_5kqe 1
52 . . . . . . . . . . . . . . . . 15.705 13.186 18.224 . . . 29 . C6 . 29 . H6 parsed_5kqe 1
53 . . . . . . . . . . . . . . . . -4.486 -7.005 -1.967 . . . 30 . C6 . 30 . H6 parsed_5kqe 1
54 . . . . . . . . . . . . . . . . -2.608 -5.198 -0.018 . . . 12 . C1' . 12 . H1' parsed_5kqe 1
55 . . . . . . . . . . . . . . . . -19.315 -21.905 -16.725 . . . 13 . C1' . 13 . H1' parsed_5kqe 1
56 . . . . . . . . . . . . . . . . -39.782 -42.372 -37.192 . . . 15 . C1' . 15 . H1' parsed_5kqe 1
57 . . . . . . . . . . . . . . . . -19.890 -22.480 -17.300 . . . 16 . C1' . 16 . H1' parsed_5kqe 1
58 . . . . . . . . . . . . . . . . 2.708 0.118 5.298 . . . 17 . C1' . 17 . H1' parsed_5kqe 1
59 . . . . . . . . . . . . . . . . 18.850 16.260 21.440 . . . 19 . C1' . 19 . H1' parsed_5kqe 1
60 . . . . . . . . . . . . . . . . 7.312 4.722 9.902 . . . 20 . C1' . 20 . H1' parsed_5kqe 1
61 . . . . . . . . . . . . . . . . -24.416 -27.006 -21.826 . . . 22 . C1' . 22 . H1' parsed_5kqe 1
62 . . . . . . . . . . . . . . . . -6.153 -8.743 -3.563 . . . 23 . C1' . 23 . H1' parsed_5kqe 1
63 . . . . . . . . . . . . . . . . -34.942 -37.532 -32.352 . . . 24 . C1' . 24 . H1' parsed_5kqe 1
64 . . . . . . . . . . . . . . . . -11.835 -14.425 -9.245 . . . 25 . C1' . 25 . H1' parsed_5kqe 1
65 . . . . . . . . . . . . . . . . 1.550 -1.040 4.140 . . . 26 . C1' . 26 . H1' parsed_5kqe 1
66 . . . . . . . . . . . . . . . . 16.725 14.135 19.315 . . . 28 . C1' . 28 . H1' parsed_5kqe 1
67 . . . . . . . . . . . . . . . . 18.398 15.808 20.988 . . . 29 . C1' . 29 . H1' parsed_5kqe 1
68 . . . . . . . . . . . . . . . . 15.437 12.847 18.027 . . . 30 . C1' . 30 . H1' parsed_5kqe 1
69 . . . . . . . . . . . . . . . . 0.307 -2.212 2.826 . . . 13 . C5 . 13 . H5 parsed_5kqe 1
70 . . . . . . . . . . . . . . . . -7.044 -9.563 -4.525 . . . 15 . C5 . 15 . H5 parsed_5kqe 1
71 . . . . . . . . . . . . . . . . 16.559 14.040 19.078 . . . 16 . C5 . 16 . H5 parsed_5kqe 1
72 . . . . . . . . . . . . . . . . 32.912 30.393 35.431 . . . 17 . C5 . 17 . H5 parsed_5kqe 1
73 . . . . . . . . . . . . . . . . 23.878 21.359 26.397 . . . 19 . C5 . 19 . H5 parsed_5kqe 1
74 . . . . . . . . . . . . . . . . 18.407 15.888 20.926 . . . 20 . C5 . 20 . H5 parsed_5kqe 1
75 . . . . . . . . . . . . . . . . -2.992 -5.511 -0.473 . . . 22 . C5 . 22 . H5 parsed_5kqe 1
76 . . . . . . . . . . . . . . . . 23.534 21.015 26.053 . . . 25 . C5 . 25 . H5 parsed_5kqe 1
77 . . . . . . . . . . . . . . . . 35.088 32.569 37.607 . . . 29 . C5 . 29 . H5 parsed_5kqe 1
78 . . . . . . . . . . . . . . . . 27.539 25.020 30.058 . . . 30 . C5 . 30 . H5 parsed_5kqe 1
79 . . . . . . . . . . . . . . . . 16.273 13.754 18.792 . . . 26 . C2 . 26 . H2 parsed_5kqe 1
80 . . . . . . . . . . . . . . . . 17.562 15.043 20.081 . . . 27 . C2 . 27 . H2 parsed_5kqe 1
81 . . . . . . . . . . . . . . . . 28.999 26.480 31.518 . . . 28 . C2 . 28 . H2 parsed_5kqe 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 12:17:10 PM GMT (wattos1)