NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
627670 |
6cl3   |
30424 | cing | 2-parsed | STAR | dihedral angle | 44 |
data_6cl3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6cl3
_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_6cl3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6cl3
_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 6cl3 "Master copy" parsed_6cl3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6cl3
_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 6cl3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6cl3 1
1 6cl3.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 44 parsed_6cl3 1
1 6cl3.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_6cl3 1
1 6cl3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6cl3 1
stop_
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6cl3
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.78 -55.88 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_6cl3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.84 -59.84 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6cl3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.00 -58.28 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6cl3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.23 -52.53 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6cl3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.56 -53.54 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6cl3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.07 -55.83 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6cl3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.37 -56.31 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6cl3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.88 -58.80 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6cl3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.58 -44.84 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6cl3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.64 -27.20 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_6cl3 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.59 -55.47 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6cl3 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.45 -57.87 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6cl3 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.15 -45.01 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6cl3 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.64 -49.24 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6cl3 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.19 -53.31 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_6cl3 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.98 -54.46 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_6cl3 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.71 -49.65 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_6cl3 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.39 -55.33 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_6cl3 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.92 -58.20 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_6cl3 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.14 -51.94 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_6cl3 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.65 -43.99 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_6cl3 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.88 -40.96 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_6cl3 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.49 -0.83 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_6cl3 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.72 -27.50 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6cl3 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.46 -30.82 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6cl3 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.37 -35.05 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6cl3 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.26 -27.98 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6cl3 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.86 -27.50 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6cl3 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.31 -27.05 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6cl3 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.75 -19.03 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6cl3 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.13 -23.93 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6cl3 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.79 -16.55 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_6cl3 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.04 -33.96 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6cl3 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.75 -34.13 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6cl3 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.72 -24.58 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6cl3 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.53 -16.53 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6cl3 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.93 -18.55 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_6cl3 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.79 -26.41 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_6cl3 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.56 -16.88 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_6cl3 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.50 -6.96 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_6cl3 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.47 -28.43 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_6cl3 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.20 -27.00 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_6cl3 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.23 -16.31 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_6cl3 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.55 -2.53 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_6cl3 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. W 2 Phi -65.33 +/- 9.45 (-74.78 to -55.89)" 2 1 2 48 parsed_6cl3 1
2 "2. L 3 Phi -66.34 +/- 6.50 (-72.84 to -59.84)" 7 1 7 48 parsed_6cl3 1
3 "3. T 4 Phi -63.14 +/- 4.86 (-68.00 to -58.28)" 12 1 12 48 parsed_6cl3 1
4 "4. A 5 Phi -60.88 +/- 8.35 (-69.23 to -52.53)" 17 1 17 48 parsed_6cl3 1
5 "5. L 6 Phi -69.05 +/- 15.51 (-84.56 to -53.55)" 22 1 22 49 parsed_6cl3 1
6 "6. K 7 Phi -64.95 +/- 9.12 (-74.06 to -55.83)" 27 1 27 48 parsed_6cl3 1
7 "7. F 8 Phi -64.34 +/- 8.03 (-72.37 to -56.31)" 32 1 32 48 parsed_6cl3 1
8 "8. L 9 Phi -64.84 +/- 6.04 (-70.89 to -58.80)" 37 1 37 48 parsed_6cl3 1
9 "9. G 10 Phi -61.71 +/- 16.87 (-78.58 to -44.84)" 42 1 42 50 parsed_6cl3 1
10 "10. K 11 Phi -68.92 +/- 41.72 (-110.64 to -27.20)" 47 1 47 52 parsed_6cl3 1
11 "11. N 12 Phi -63.03 +/- 7.56 (-70.59 to -55.46)" 52 1 52 50 parsed_6cl3 1
12 "12. L 13 Phi -63.66 +/- 5.79 (-69.45 to -57.87)" 57 1 57 50 parsed_6cl3 1
13 "13. G 14 Phi -63.58 +/- 18.57 (-82.15 to -45.01)" 62 1 62 51 parsed_6cl3 1
14 "14. K 15 Phi -63.44 +/- 14.20 (-77.64 to -49.24)" 67 1 67 51 parsed_6cl3 1
15 "15. L 16 Phi -63.75 +/- 10.44 (-74.19 to -53.32)" 72 1 72 51 parsed_6cl3 1
16 "16. A 17 Phi -62.72 +/- 8.26 (-70.98 to -54.46)" 77 1 77 50 parsed_6cl3 1
17 "17. K 18 Phi -62.18 +/- 12.53 (-74.71 to -49.65)" 82 1 82 51 parsed_6cl3 1
18 "18. Q 19 Phi -64.36 +/- 9.03 (-73.39 to -55.33)" 87 1 87 50 parsed_6cl3 1
19 "19. Q 20 Phi -65.06 +/- 6.86 (-71.93 to -58.20)" 92 1 92 50 parsed_6cl3 1
20 "20. L 21 Phi -65.04 +/- 13.10 (-78.14 to -51.93)" 97 1 97 51 parsed_6cl3 1
21 "21. A 22 Phi -60.82 +/- 16.83 (-77.65 to -43.99)" 102 1 102 51 parsed_6cl3 1
22 "22. K 23 Phi -65.42 +/- 24.46 (-89.88 to -40.96)" 107 1 107 51 parsed_6cl3 1
23 "23. W 2 Psi -25.16 +/- 24.33 (-49.49 to -0.83)" 113 1 113 49 parsed_6cl3 1
24 "24. L 3 Psi -41.11 +/- 13.61 (-54.72 to -27.50)" 118 1 118 50 parsed_6cl3 1
25 "25. T 4 Psi -42.14 +/- 11.32 (-53.46 to -30.82)" 123 1 123 50 parsed_6cl3 1
26 "26. A 5 Psi -45.71 +/- 10.66 (-56.37 to -35.05)" 128 1 128 50 parsed_6cl3 1
27 "27. L 6 Psi -38.12 +/- 10.14 (-48.26 to -27.97)" 133 1 133 50 parsed_6cl3 1
28 "28. K 7 Psi -40.18 +/- 12.68 (-52.86 to -27.50)" 138 1 138 50 parsed_6cl3 1
29 "29. F 8 Psi -40.18 +/- 13.13 (-53.32 to -27.05)" 143 1 143 50 parsed_6cl3 1
30 "30. L 9 Psi -40.39 +/- 21.36 (-61.75 to -19.02)" 148 1 148 50 parsed_6cl3 1
31 "31. G 10 Psi -43.03 +/- 19.10 (-62.13 to -23.93)" 153 1 153 51 parsed_6cl3 1
32 "32. K 11 Psi -37.17 +/- 20.62 (-57.80 to -16.55)" 158 1 158 51 parsed_6cl3 1
33 "33. N 12 Psi -41.00 +/- 7.04 (-48.05 to -33.96)" 163 1 163 50 parsed_6cl3 1
34 "34. L 13 Psi -43.44 +/- 9.31 (-52.75 to -34.13)" 168 1 168 50 parsed_6cl3 1
35 "35. G 14 Psi -43.65 +/- 19.07 (-62.72 to -24.58)" 173 1 173 51 parsed_6cl3 1
36 "36. K 15 Psi -39.53 +/- 23.00 (-62.53 to -16.53)" 178 1 178 51 parsed_6cl3 1
37 "37. L 16 Psi -37.24 +/- 18.69 (-55.93 to -18.55)" 183 1 183 51 parsed_6cl3 1
38 "38. A 17 Psi -39.10 +/- 12.69 (-51.79 to -26.41)" 188 1 188 51 parsed_6cl3 1
39 "39. K 18 Psi -40.72 +/- 23.84 (-64.55 to -16.88)" 193 1 193 51 parsed_6cl3 1
40 "40. Q 19 Psi -37.73 +/- 30.77 (-68.50 to -6.97)" 198 1 198 50 parsed_6cl3 1
41 "41. Q 20 Psi -39.45 +/- 11.02 (-50.47 to -28.43)" 203 1 203 51 parsed_6cl3 1
42 "42. L 21 Psi -41.10 +/- 14.10 (-55.20 to -27.00)" 208 1 208 51 parsed_6cl3 1
43 "43. A 22 Psi -40.77 +/- 24.46 (-65.23 to -16.32)" 213 1 213 51 parsed_6cl3 1
44 "44. K 23 Psi -37.04 +/- 34.51 (-71.55 to -2.54)" 218 1 218 50 parsed_6cl3 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1 "# Restraints file 1: lyetx-b_DIHE.tbl" 1 1 1 37 parsed_6cl3 1
stop_
save_
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