NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
649468 |
6x7i   |
30757 | cing | 2-parsed | STAR | entry | full | 80 |
data_6x7i_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6x7i
_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_6x7i 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6x7i
_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 6x7i "Master copy" parsed_6x7i
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6x7i
_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 6x7i.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6x7i 1
1 6x7i.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_6x7i 1
1 6x7i.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 4 parsed_6x7i 1
1 6x7i.mr . . XPLOR/CNS 4 distance NOE simple 38 parsed_6x7i 1
1 6x7i.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6x7i 1
stop_
save_
save_MR_file_comment_1
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_6x7i
_Org_constr_file_comment.ID 1
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 1
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
*HEADER MEMBRANE PROTEIN 30-MAY-20 6X7I
*TITLE STRUCTURE OF THE C-TERMINAL DOMAIN OF BCL-XL IN MEMBRANE
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: BCL-2-LIKE PROTEIN 1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: C-TERMINAL DOMAIN, RESIDUES 206-233;
*COMPND 5 SYNONYM: BCL2-L-1,APOPTOSIS REGULATOR BCL-X;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: BCL2L1, BCL2L, BCLX;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562
*KEYWDS ANTI-APOPTOTIC, BCL-2, MEMBRANE, MEMBRANE PROTEIN
*EXPDTA SOLUTION NMR; SOLID-STATE NMR
*NUMMDL 10
*AUTHOR Y.YAO,Y.TIAN,F.M.MARASSI
*REVDAT 1 01-JUL-20 6X7I 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6x7i
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.89 -36.79 . . 212 . C . 213 . N . 213 . CA . 213 . C parsed_6x7i 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.03 -52.79 . . 213 . C . 214 . N . 214 . CA . 214 . C parsed_6x7i 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.45 -57.55 . . 214 . C . 215 . N . 215 . CA . 215 . C parsed_6x7i 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.86 -60.40 . . 215 . C . 216 . N . 216 . CA . 216 . C parsed_6x7i 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.77 -53.27 . . 216 . C . 217 . N . 217 . CA . 217 . C parsed_6x7i 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.97 -59.11 . . 217 . C . 218 . N . 218 . CA . 218 . C parsed_6x7i 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.46 -56.08 . . 218 . C . 219 . N . 219 . CA . 219 . C parsed_6x7i 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.06 -57.90 . . 219 . C . 220 . N . 220 . CA . 220 . C parsed_6x7i 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.30 -45.68 . . 220 . C . 221 . N . 221 . CA . 221 . C parsed_6x7i 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.30 -50.38 . . 221 . C . 222 . N . 222 . CA . 222 . C parsed_6x7i 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.65 -58.67 . . 222 . C . 223 . N . 223 . CA . 223 . C parsed_6x7i 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.08 -49.34 . . 223 . C . 224 . N . 224 . CA . 224 . C parsed_6x7i 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.05 -52.57 . . 224 . C . 225 . N . 225 . CA . 225 . C parsed_6x7i 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.67 -50.91 . . 225 . C . 226 . N . 226 . CA . 226 . C parsed_6x7i 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.48 -35.80 . . 226 . C . 227 . N . 227 . CA . 227 . C parsed_6x7i 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.25 -53.89 . . 227 . C . 228 . N . 228 . CA . 228 . C parsed_6x7i 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.12 -55.78 . . 228 . C . 229 . N . 229 . CA . 229 . C parsed_6x7i 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101.56 -52.00 . . 229 . C . 230 . N . 230 . CA . 230 . C parsed_6x7i 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.77 -57.19 . . 230 . C . 231 . N . 231 . CA . 231 . C parsed_6x7i 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66.61 4.73 . . 213 . N . 213 . CA . 213 . C . 214 . N parsed_6x7i 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.48 -10.94 . . 214 . N . 214 . CA . 214 . C . 215 . N parsed_6x7i 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.10 -28.22 . . 215 . N . 215 . CA . 215 . C . 216 . N parsed_6x7i 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.55 -29.25 . . 216 . N . 216 . CA . 216 . C . 217 . N parsed_6x7i 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.85 -20.59 . . 217 . N . 217 . CA . 217 . C . 218 . N parsed_6x7i 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.63 -33.29 . . 218 . N . 218 . CA . 218 . C . 219 . N parsed_6x7i 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.59 -33.23 . . 219 . N . 219 . CA . 219 . C . 220 . N parsed_6x7i 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.37 -20.37 . . 220 . N . 220 . CA . 220 . C . 221 . N parsed_6x7i 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.41 -20.97 . . 221 . N . 221 . CA . 221 . C . 222 . N parsed_6x7i 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.43 -27.29 . . 222 . N . 222 . CA . 222 . C . 223 . N parsed_6x7i 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.24 -31.84 . . 223 . N . 223 . CA . 223 . C . 224 . N parsed_6x7i 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.07 -33.87 . . 224 . N . 224 . CA . 224 . C . 225 . N parsed_6x7i 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.09 -32.59 . . 225 . N . 225 . CA . 225 . C . 226 . N parsed_6x7i 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.86 -29.14 . . 226 . N . 226 . CA . 226 . C . 227 . N parsed_6x7i 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.89 -22.17 . . 227 . N . 227 . CA . 227 . C . 228 . N parsed_6x7i 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.66 -33.02 . . 228 . N . 228 . CA . 228 . C . 229 . N parsed_6x7i 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.73 -27.89 . . 229 . N . 229 . CA . 229 . C . 230 . N parsed_6x7i 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.04 22.04 . . 230 . N . 230 . CA . 230 . C . 231 . N parsed_6x7i 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.57 24.05 . . 231 . N . 231 . CA . 231 . C . 232 . N parsed_6x7i 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 213 Phi -68.34 +/- 31.55 (-99.89 to -36.80)" 2 1 2 51 parsed_6x7i 1
2 "2. F 214 Phi -63.41 +/- 10.62 (-74.03 to -52.79)" 7 1 7 51 parsed_6x7i 1
3 "3. L 215 Phi -64.50 +/- 6.95 (-71.45 to -57.55)" 12 1 12 50 parsed_6x7i 1
4 "4. T 216 Phi -67.13 +/- 6.73 (-73.85 to -60.40)" 17 1 17 50 parsed_6x7i 1
5 "5. G 217 Phi -62.02 +/- 8.75 (-70.78 to -53.27)" 22 1 22 50 parsed_6x7i 1
6 "6. M 218 Phi -65.54 +/- 6.43 (-71.97 to -59.11)" 27 1 27 50 parsed_6x7i 1
7 "7. T 219 Phi -63.27 +/- 7.19 (-70.45 to -56.08)" 32 1 32 50 parsed_6x7i 1
8 "8. V 220 Phi -63.48 +/- 5.58 (-69.06 to -57.91)" 37 1 37 50 parsed_6x7i 1
9 "9. A 221 Phi -61.99 +/- 16.31 (-78.30 to -45.69)" 42 1 42 51 parsed_6x7i 1
10 "10. G 222 Phi -63.84 +/- 13.46 (-77.30 to -50.38)" 47 1 47 52 parsed_6x7i 1
11 "11. V 223 Phi -66.16 +/- 7.49 (-73.65 to -58.67)" 52 1 52 51 parsed_6x7i 1
12 "12. V 224 Phi -61.21 +/- 11.87 (-73.08 to -49.33)" 57 1 57 52 parsed_6x7i 1
13 "13. L 225 Phi -62.31 +/- 9.74 (-72.06 to -52.57)" 62 1 62 51 parsed_6x7i 1
14 "14. L 226 Phi -60.79 +/- 9.88 (-70.67 to -50.91)" 67 1 67 51 parsed_6x7i 1
15 "15. G 227 Phi -62.64 +/- 26.84 (-89.48 to -35.80)" 72 1 72 52 parsed_6x7i 1
16 "16. S 228 Phi -63.57 +/- 9.68 (-73.25 to -53.89)" 77 1 77 51 parsed_6x7i 1
17 "17. L 229 Phi -64.45 +/- 8.67 (-73.12 to -55.78)" 82 1 82 51 parsed_6x7i 1
18 "18. F 230 Phi -76.78 +/- 24.78 (-101.56 to -52.00)" 87 1 87 53 parsed_6x7i 1
19 "19. S 231 Phi -86.48 +/- 29.29 (-115.77 to -57.19)" 92 1 92 53 parsed_6x7i 1
20 "20. W 213 Psi -30.94 +/- 35.67 (-66.61 to 4.72)" 98 1 98 50 parsed_6x7i 1
21 "21. F 214 Psi -39.21 +/- 28.27 (-67.49 to -10.94)" 103 1 103 52 parsed_6x7i 1
22 "22. L 215 Psi -37.66 +/- 9.44 (-47.11 to -28.22)" 108 1 108 51 parsed_6x7i 1
23 "23. T 216 Psi -41.90 +/- 12.65 (-54.56 to -29.25)" 113 1 113 52 parsed_6x7i 1
24 "24. G 217 Psi -40.72 +/- 20.13 (-60.86 to -20.59)" 118 1 118 52 parsed_6x7i 1
25 "25. M 218 Psi -42.46 +/- 9.17 (-51.63 to -33.29)" 123 1 123 51 parsed_6x7i 1
26 "26. T 219 Psi -44.41 +/- 11.18 (-55.59 to -33.22)" 128 1 128 52 parsed_6x7i 1
27 "27. V 220 Psi -40.37 +/- 20.00 (-60.37 to -20.36)" 133 1 133 52 parsed_6x7i 1
28 "28. A 221 Psi -41.19 +/- 20.22 (-61.42 to -20.97)" 138 1 138 52 parsed_6x7i 1
29 "29. G 222 Psi -44.36 +/- 17.07 (-61.43 to -27.29)" 143 1 143 52 parsed_6x7i 1
30 "30. V 223 Psi -45.54 +/- 13.70 (-59.24 to -31.84)" 148 1 148 52 parsed_6x7i 1
31 "31. V 224 Psi -44.97 +/- 11.10 (-56.08 to -33.87)" 153 1 153 52 parsed_6x7i 1
32 "32. L 225 Psi -42.34 +/- 9.75 (-52.09 to -32.59)" 158 1 158 51 parsed_6x7i 1
33 "33. L 226 Psi -42.50 +/- 13.36 (-55.86 to -29.14)" 163 1 163 52 parsed_6x7i 1
34 "34. G 227 Psi -38.53 +/- 16.36 (-54.89 to -22.17)" 168 1 168 52 parsed_6x7i 1
35 "35. S 228 Psi -42.34 +/- 9.32 (-51.66 to -33.01)" 173 1 173 51 parsed_6x7i 1
36 "36. L 229 Psi -43.31 +/- 15.42 (-58.73 to -27.88)" 178 1 178 52 parsed_6x7i 1
37 "37. F 230 Psi -18.50 +/- 40.54 (-59.04 to 22.04)" 183 1 183 51 parsed_6x7i 1
38 "38. S 231 Psi -19.76 +/- 43.81 (-63.57 to 24.06)" 188 1 188 51 parsed_6x7i 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: talostm.tbl" 1 1 1 32 parsed_6x7i 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_6x7i
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 10.8 . . . . . 215 . N . 215 . HN parsed_6x7i 1
2 . . . . . . . . . . . . . . . . 13.5 . . . . . 225 . N . 225 . HN parsed_6x7i 1
3 . . . . . . . . . . . . . . . . 9.9 . . . . . 226 . N . 226 . HN parsed_6x7i 1
4 . . . . . . . . . . . . . . . . 14.0 . . . . . 229 . N . 229 . HN parsed_6x7i 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1
;
! HN dipolar couplings for Leu in BCL-XL C-tail peptide in aligned bicelles
! Assigned with AssignFit
;
2 1 3 27 parsed_6x7i 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 "# Restraints file 2: dctm.tbl" 1 1 1 29 parsed_6x7i 1
2 "# Restraints file 3: csatm.tbl" 32 1 32 30 parsed_6x7i 1
3
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 214 and name C )
( resid 215 and name N )
( resid 215 and name HN ) 36.0 1.0 1.0
;
40 1 46 55 parsed_6x7i 1
4
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 224 and name C )
( resid 225 and name N )
( resid 225 and name HN ) 61.4 1.0 1.0
;
48 1 54 55 parsed_6x7i 1
5
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 225 and name C )
( resid 226 and name N )
( resid 226 and name HN ) 27.8 1.0 1.0
;
57 1 63 55 parsed_6x7i 1
6
;
assign ( resid 600 and name OO )
( resid 600 and name Z )
( resid 600 and name X )
( resid 600 and name Y )
( resid 228 and name C )
( resid 229 and name N )
( resid 229 and name HN ) 41.8 1.0 1.0
;
65 1 71 55 parsed_6x7i 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6x7i
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_6x7i 1
2 1 . . . parsed_6x7i 1
3 1 . . . parsed_6x7i 1
4 1 . . . parsed_6x7i 1
5 1 . . . parsed_6x7i 1
6 1 . . . parsed_6x7i 1
7 1 . . . parsed_6x7i 1
8 1 . . . parsed_6x7i 1
9 1 . . . parsed_6x7i 1
10 1 . . . parsed_6x7i 1
11 1 . . . parsed_6x7i 1
12 1 . . . parsed_6x7i 1
13 1 . . . parsed_6x7i 1
14 1 . . . parsed_6x7i 1
15 1 . . . parsed_6x7i 1
16 1 . . . parsed_6x7i 1
17 1 . . . parsed_6x7i 1
18 1 . . . parsed_6x7i 1
19 1 . . . parsed_6x7i 1
20 1 . . . parsed_6x7i 1
21 1 . . . parsed_6x7i 1
22 1 . . . parsed_6x7i 1
23 1 . . . parsed_6x7i 1
24 1 . . . parsed_6x7i 1
25 1 . . . parsed_6x7i 1
26 1 . . . parsed_6x7i 1
27 1 . . . parsed_6x7i 1
28 1 . . . parsed_6x7i 1
29 1 . . . parsed_6x7i 1
30 1 . . . parsed_6x7i 1
31 1 . . . parsed_6x7i 1
32 1 . . . parsed_6x7i 1
33 1 . . . parsed_6x7i 1
34 1 . . . parsed_6x7i 1
35 1 . . . parsed_6x7i 1
36 1 . . . parsed_6x7i 1
37 1 . . . parsed_6x7i 1
38 1 . . . parsed_6x7i 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 218 . HN parsed_6x7i 1
1 1 2 . . . . . . . . . 219 . HN parsed_6x7i 1
2 1 1 . . . . . . . . . 219 . HN parsed_6x7i 1
2 1 2 . . . . . . . . . 220 . HN parsed_6x7i 1
3 1 1 . . . . . . . . . 220 . HN parsed_6x7i 1
3 1 2 . . . . . . . . . 221 . HN parsed_6x7i 1
4 1 1 . . . . . . . . . 221 . HN parsed_6x7i 1
4 1 2 . . . . . . . . . 222 . HN parsed_6x7i 1
5 1 1 . . . . . . . . . 222 . HN parsed_6x7i 1
5 1 2 . . . . . . . . . 223 . HN parsed_6x7i 1
6 1 1 . . . . . . . . . 223 . HN parsed_6x7i 1
6 1 2 . . . . . . . . . 224 . HN parsed_6x7i 1
7 1 1 . . . . . . . . . 224 . HN parsed_6x7i 1
7 1 2 . . . . . . . . . 225 . HN parsed_6x7i 1
8 1 1 . . . . . . . . . 225 . HN parsed_6x7i 1
8 1 2 . . . . . . . . . 226 . HN parsed_6x7i 1
9 1 1 . . . . . . . . . 226 . HN parsed_6x7i 1
9 1 2 . . . . . . . . . 227 . HN parsed_6x7i 1
10 1 1 . . . . . . . . . 227 . HN parsed_6x7i 1
10 1 2 . . . . . . . . . 228 . HN parsed_6x7i 1
11 1 1 . . . . . . . . . 228 . HN parsed_6x7i 1
11 1 2 . . . . . . . . . 229 . HN parsed_6x7i 1
12 1 1 . . . . . . . . . 229 . HN parsed_6x7i 1
12 1 2 . . . . . . . . . 230 . HN parsed_6x7i 1
13 1 1 . . . . . . . . . 217 . HA* parsed_6x7i 1
13 1 2 . . . . . . . . . 218 . HN parsed_6x7i 1
14 1 1 . . . . . . . . . 218 . HA parsed_6x7i 1
14 1 2 . . . . . . . . . 219 . HN parsed_6x7i 1
15 1 1 . . . . . . . . . 219 . HA parsed_6x7i 1
15 1 2 . . . . . . . . . 220 . HN parsed_6x7i 1
16 1 1 . . . . . . . . . 220 . HA parsed_6x7i 1
16 1 2 . . . . . . . . . 221 . HN parsed_6x7i 1
17 1 1 . . . . . . . . . 221 . HA parsed_6x7i 1
17 1 2 . . . . . . . . . 222 . HN parsed_6x7i 1
18 1 1 . . . . . . . . . 222 . HA* parsed_6x7i 1
18 1 2 . . . . . . . . . 223 . HN parsed_6x7i 1
19 1 1 . . . . . . . . . 223 . HA parsed_6x7i 1
19 1 2 . . . . . . . . . 224 . HN parsed_6x7i 1
20 1 1 . . . . . . . . . 224 . HA parsed_6x7i 1
20 1 2 . . . . . . . . . 225 . HN parsed_6x7i 1
21 1 1 . . . . . . . . . 225 . HA parsed_6x7i 1
21 1 2 . . . . . . . . . 226 . HN parsed_6x7i 1
22 1 1 . . . . . . . . . 226 . HA parsed_6x7i 1
22 1 2 . . . . . . . . . 227 . HN parsed_6x7i 1
23 1 1 . . . . . . . . . 227 . HA* parsed_6x7i 1
23 1 2 . . . . . . . . . 228 . HN parsed_6x7i 1
24 1 1 . . . . . . . . . 228 . HA parsed_6x7i 1
24 1 2 . . . . . . . . . 229 . HN parsed_6x7i 1
25 1 1 . . . . . . . . . 229 . HA parsed_6x7i 1
25 1 2 . . . . . . . . . 230 . HN parsed_6x7i 1
26 1 1 . . . . . . . . . 230 . HA parsed_6x7i 1
26 1 2 . . . . . . . . . 231 . HN parsed_6x7i 1
27 1 1 . . . . . . . . . 232 . HA parsed_6x7i 1
27 1 2 . . . . . . . . . 233 . HN parsed_6x7i 1
28 1 1 . . . . . . . . . 217 . HA* parsed_6x7i 1
28 1 2 . . . . . . . . . 220 . HN parsed_6x7i 1
29 1 1 . . . . . . . . . 218 . HA parsed_6x7i 1
29 1 2 . . . . . . . . . 221 . HN parsed_6x7i 1
30 1 1 . . . . . . . . . 219 . HA parsed_6x7i 1
30 1 2 . . . . . . . . . 222 . HN parsed_6x7i 1
31 1 1 . . . . . . . . . 220 . HA parsed_6x7i 1
31 1 2 . . . . . . . . . 223 . HN parsed_6x7i 1
32 1 1 . . . . . . . . . 221 . HA parsed_6x7i 1
32 1 2 . . . . . . . . . 224 . HN parsed_6x7i 1
33 1 1 . . . . . . . . . 222 . HA* parsed_6x7i 1
33 1 2 . . . . . . . . . 225 . HN parsed_6x7i 1
34 1 1 . . . . . . . . . 223 . HA parsed_6x7i 1
34 1 2 . . . . . . . . . 226 . HN parsed_6x7i 1
35 1 1 . . . . . . . . . 224 . HA parsed_6x7i 1
35 1 2 . . . . . . . . . 227 . HN parsed_6x7i 1
36 1 1 . . . . . . . . . 225 . HA parsed_6x7i 1
36 1 2 . . . . . . . . . 228 . HN parsed_6x7i 1
37 1 1 . . . . . . . . . 226 . HA parsed_6x7i 1
37 1 2 . . . . . . . . . 229 . HN parsed_6x7i 1
38 1 1 . . . . . . . . . 227 . HA* parsed_6x7i 1
38 1 2 . . . . . . . . . 230 . HN parsed_6x7i 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
2 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
3 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
4 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
5 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
6 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
7 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
8 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
9 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
10 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
11 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
12 1 . . . . . 2.300 1.800 2.800 parsed_6x7i 1
13 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
14 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
15 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
16 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
17 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
18 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
19 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
20 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
21 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
22 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
23 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
24 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
25 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
26 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
27 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
28 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
29 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
30 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
31 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
32 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
33 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
34 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
35 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
36 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
37 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
38 1 . . . . . 3.300 2.800 4.800 parsed_6x7i 1
stop_
loop_
_Dist_constraint_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
# Restraints file 4: D_1000249701_mr_P1.dat.V1
#HNi-HNi+1
;
1 1 2 10 parsed_6x7i 1
2 "#HAi-HNi+1" 15 1 15 10 parsed_6x7i 1
3 "#HAi-HNi+3" 31 1 31 10 parsed_6x7i 1
stop_
save_
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