NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
51440 |
2k76   |
15946 | cing | 2-parsed | STAR | dihedral angle | 49 |
data_2k76_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2k76
_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_2k76 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2k76
_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 2k76 "Master copy" parsed_2k76
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2k76
_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 2k76.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2k76 1
1 2k76.mr . . XPLOR/CNS 2 distance NOE simple 374 parsed_2k76 1
1 2k76.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 26 parsed_2k76 1
1 2k76.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 49 parsed_2k76 1
1 2k76.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2k76 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2k76
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -159.00 -55.00 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2k76 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.00 -53.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2k76 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.00 -74.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2k76 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -54.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2k76 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -57.00 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2k76 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.00 -47.00 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2k76 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -189.00 -17.00 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2k76 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -44.00 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2k76 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.00 -37.00 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2k76 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.00 -53.00 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2k76 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.47 -51.43 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2k76 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.81 -55.45 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2k76 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.85 -52.53 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2k76 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.18 -55.46 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2k76 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.59 -54.99 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2k76 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.66 -57.82 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2k76 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.84 -47.32 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2k76 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.45 -39.45 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2k76 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.17 -50.61 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2k76 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.59 -54.39 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2k76 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.63 -54.39 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2k76 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.17 -55.85 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2k76 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.88 -43.76 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2k76 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.00 -54.00 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2k76 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.00 -50.00 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2k76 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 72.00 192.00 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2k76 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.00 169.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2k76 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.00 192.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2k76 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153.00 169.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2k76 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.00 -29.00 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2k76 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 104.00 180.00 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2k76 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.00 161.00 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2k76 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.00 -14.00 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2k76 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.00 -26.00 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2k76 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.87 12.81 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2k76 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.66 -29.50 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2k76 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.53 -29.49 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2k76 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.06 -15.30 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2k76 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.18 -32.30 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2k76 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.77 -20.73 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2k76 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.16 -33.72 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2k76 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.53 4.03 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2k76 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.40 -29.00 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2k76 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.64 -33.40 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2k76 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.66 -25.26 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2k76 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.51 -32.63 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2k76 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.69 -27.97 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2k76 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.00 -17.00 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2k76 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 -31.00 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2k76 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1 "1. F 2 Phi -107.00 +/- 52.00 (-159.00 to -55.00)" 1 1 1 51 parsed_2k76 1
2 "2. P 4 Phi -67.00 +/- 14.00 (-81.00 to -53.00)" 6 1 6 49 parsed_2k76 1
3 "3. T 5 Phi -100.00 +/- 26.00 (-126.00 to -74.00)" 11 1 11 51 parsed_2k76 1
4 "4. P 6 Phi -70.00 +/- 16.00 (-86.00 to -54.00)" 16 1 16 49 parsed_2k76 1
5 "5. E 9 Phi -65.00 +/- 8.00 (-73.00 to -57.00)" 21 1 21 48 parsed_2k76 1
6 "6. E 10 Phi -65.00 +/- 18.00 (-83.00 to -47.00)" 26 1 26 50 parsed_2k76 1
7 "7. A 11 Phi -103.00 +/- 86.00 (-189.00 to -17.00)" 31 1 31 52 parsed_2k76 1
8 "8. P 12 Phi -58.00 +/- 14.00 (-72.00 to -44.00)" 36 1 36 50 parsed_2k76 1
9 "9. V 13 Phi -51.00 +/- 14.00 (-65.00 to -37.00)" 41 1 41 50 parsed_2k76 1
10 "10. E 14 Phi -61.00 +/- 8.00 (-69.00 to -53.00)" 46 1 46 50 parsed_2k76 1
11 "11. D 15 Phi -67.95 +/- 16.52 (-84.47 to -51.43)" 51 1 51 51 parsed_2k76 1
12 "12. L 16 Phi -65.63 +/- 10.18 (-75.81 to -55.45)" 56 1 56 51 parsed_2k76 1
13 "13. I 17 Phi -63.69 +/- 11.16 (-74.85 to -52.53)" 61 1 61 51 parsed_2k76 1
14 "14. R 18 Phi -63.32 +/- 7.86 (-71.18 to -55.46)" 66 1 66 50 parsed_2k76 1
15 "15. F 19 Phi -63.29 +/- 8.30 (-71.59 to -54.99)" 71 1 71 50 parsed_2k76 1
16 "16. Y 20 Phi -63.74 +/- 5.92 (-69.66 to -57.82)" 76 1 76 50 parsed_2k76 1
17 "17. N 21 Phi -58.08 +/- 10.76 (-68.84 to -47.32)" 81 1 81 51 parsed_2k76 1
18 "18. D 22 Phi -67.45 +/- 28.00 (-95.45 to -39.45)" 86 1 86 51 parsed_2k76 1
19 "19. L 23 Phi -60.39 +/- 9.78 (-70.17 to -50.61)" 91 1 91 50 parsed_2k76 1
20 "20. Q 24 Phi -61.99 +/- 7.60 (-69.59 to -54.39)" 96 1 96 50 parsed_2k76 1
21 "21. Q 25 Phi -62.51 +/- 8.12 (-70.63 to -54.39)" 101 1 101 50 parsed_2k76 1
22 "22. Y 26 Phi -63.01 +/- 7.16 (-70.17 to -55.85)" 106 1 106 50 parsed_2k76 1
23 "23. L 27 Phi -60.82 +/- 17.06 (-77.88 to -43.76)" 111 1 111 51 parsed_2k76 1
24 "24. N 28 Phi -66.00 +/- 12.00 (-78.00 to -54.00)" 116 1 116 51 parsed_2k76 1
25 "25. V 29 Phi -68.00 +/- 18.00 (-86.00 to -50.00)" 121 1 121 51 parsed_2k76 1
26 "26. F 2 Psi 132.00 +/- 60.00 (72.00 to 192.00)" 127 1 127 49 parsed_2k76 1
27 "27. P 4 Psi 145.00 +/- 24.00 (121.00 to 169.00)" 132 1 132 50 parsed_2k76 1
28 "28. T 5 Psi 136.00 +/- 56.00 (80.00 to 192.00)" 137 1 137 49 parsed_2k76 1
29 "29. P 6 Psi 161.00 +/- 8.00 (153.00 to 169.00)" 142 1 142 49 parsed_2k76 1
30 "30. E 9 Psi -41.00 +/- 12.00 (-53.00 to -29.00)" 147 1 147 50 parsed_2k76 1
31
;
31. E 10 Psi -39.00 +/- 36.00 (-75.00 to -3.00)
assign (resid 10 and name N) (resid 10 and name CA)
(resid 10 and name C) (resid 11 and name N) 1.0 -39.00 36.00 2
32. A 11 Psi 142.00 +/- 38.00 (104.00 to 180.00)
;
152 1 157 51 parsed_2k76 1
32 "33. P 12 Psi 143.00 +/- 18.00 (125.00 to 161.00)" 162 1 162 51 parsed_2k76 1
33 "34. V 13 Psi -36.00 +/- 22.00 (-58.00 to -14.00)" 167 1 167 51 parsed_2k76 1
34 "35. E 14 Psi -38.00 +/- 12.00 (-50.00 to -26.00)" 172 1 172 51 parsed_2k76 1
35 "36. D 15 Psi -30.03 +/- 42.84 (-72.87 to 12.81)" 177 1 177 50 parsed_2k76 1
36 "37. L 16 Psi -40.58 +/- 11.08 (-51.66 to -29.50)" 182 1 182 51 parsed_2k76 1
37 "38. I 17 Psi -41.51 +/- 12.02 (-53.53 to -29.49)" 187 1 187 51 parsed_2k76 1
38 "39. R 18 Psi -38.68 +/- 23.38 (-62.06 to -15.30)" 192 1 192 51 parsed_2k76 1
39 "40. F 19 Psi -45.74 +/- 13.44 (-59.18 to -32.30)" 197 1 197 51 parsed_2k76 1
40 "41. Y 20 Psi -37.75 +/- 17.02 (-54.77 to -20.73)" 202 1 202 51 parsed_2k76 1
41 "42. N 21 Psi -42.94 +/- 9.22 (-52.16 to -33.72)" 207 1 207 50 parsed_2k76 1
42 "43. D 22 Psi -36.25 +/- 40.28 (-76.53 to 4.03)" 212 1 212 49 parsed_2k76 1
43 "44. L 23 Psi -43.70 +/- 14.70 (-58.40 to -29.00)" 217 1 217 51 parsed_2k76 1
44 "45. Q 24 Psi -41.02 +/- 7.62 (-48.64 to -33.40)" 222 1 222 50 parsed_2k76 1
45 "46. Q 25 Psi -41.96 +/- 16.70 (-58.66 to -25.26)" 227 1 227 51 parsed_2k76 1
46 "47. Y 26 Psi -46.57 +/- 13.94 (-60.51 to -32.63)" 232 1 232 51 parsed_2k76 1
47 "48. L 27 Psi -39.33 +/- 11.36 (-50.69 to -27.97)" 237 1 237 51 parsed_2k76 1
48 "49. N 28 Psi -39.00 +/- 22.00 (-61.00 to -17.00)" 242 1 242 51 parsed_2k76 1
49 "50. V 29 Psi -45.00 +/- 14.00 (-59.00 to -31.00)" 247 1 247 51 parsed_2k76 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 9:35:52 PM GMT (wattos1)