NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
640402 |
6k5r   |
cing | 2-parsed | STAR | entry | full | 72 |
data_6k5r_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6k5r
_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_6k5r 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6k5r
_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 6k5r "Master copy" parsed_6k5r
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6k5r
_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 6k5r.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6k5r 1
1 6k5r.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 20 parsed_6k5r 1
1 6k5r.mr . . XPLOR/CNS 3 distance NOE simple 52 parsed_6k5r 1
1 6k5r.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6k5r 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_6k5r
_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 PROTEIN BINDING/TRANSCRIPTION 30-MAY-19 6K5R
*TITLE COMPLEX OF SUMO2 WITH PHOSPHORYLATED VIRAL SIM IE2
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: SMALL UBIQUITIN-RELATED MODIFIER 3;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: SMALL UBIQUITIN LIKE MODIFIER 2, SUMO-3,SMT3 HOMOLOG 1,SUMO-
*COMPND 5 2,UBIQUITIN-LIKE PROTEIN SMT3A,SMT3A;
*COMPND 6 ENGINEERED: YES;
*COMPND 7 MOL_ID: 2;
*COMPND 8 MOLECULE: ASP-THR-ALA-GLY-CYS-ILE-VAL-ILE-SEP-ASP-SEP-GLU;
*COMPND 9 CHAIN: B;
*COMPND 10 SYNONYM: VIRAL TRANSCRIPTION FACTOR IE2, IE2,PROTEIN UL122;
*COMPND 11 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: SUMO3, SMT3A, SMT3H1;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 MOL_ID: 2;
*SOURCE 9 SYNTHETIC: YES;
*SOURCE 10 ORGANISM_SCIENTIFIC: HUMAN CYTOMEGALOVIRUS (STRAIN AD169);
*SOURCE 11 ORGANISM_COMMON: HHV-5;
*SOURCE 12 ORGANISM_TAXID: 10360
*KEYWDS COMPLEX, PROTEIN BINDING-TRANSCRIPTION COMPLEX
*EXPDTA SOLUTION NMR
*NUMMDL 20
*AUTHOR K.S.CHATTERJEE,R.DAS
*REVDAT 1 07-AUG-19 6K5R 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6k5r
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 195 . c B 196 . n B 196 . ca B 196 . c parsed_6k5r 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 196 . c B 197 . n B 197 . ca B 197 . c parsed_6k5r 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 197 . c B 198 . n B 198 . ca B 198 . c parsed_6k5r 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 198 . c B 199 . n B 199 . ca B 199 . c parsed_6k5r 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 199 . c B 200 . n B 200 . ca B 200 . c parsed_6k5r 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 200 . c B 201 . n B 201 . ca B 201 . c parsed_6k5r 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 201 . c B 202 . n B 202 . ca B 202 . c parsed_6k5r 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 202 . c B 203 . n B 203 . ca B 203 . c parsed_6k5r 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 203 . c B 204 . n B 204 . ca B 204 . c parsed_6k5r 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.00 -120.00 . B 204 . c B 205 . n B 205 . ca B 205 . c parsed_6k5r 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 196 . n B 196 . ca B 196 . c B 197 . n parsed_6k5r 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 197 . n B 197 . ca B 197 . c B 198 . n parsed_6k5r 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 198 . n B 198 . ca B 198 . c B 199 . n parsed_6k5r 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 199 . n B 199 . ca B 199 . c B 200 . n parsed_6k5r 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 200 . n B 200 . ca B 200 . c B 201 . n parsed_6k5r 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 201 . n B 201 . ca B 201 . c B 202 . n parsed_6k5r 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 202 . n B 202 . ca B 202 . c B 203 . n parsed_6k5r 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 203 . n B 203 . ca B 203 . c B 204 . n parsed_6k5r 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 204 . n B 204 . ca B 204 . c B 205 . n parsed_6k5r 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 130.0 . B 205 . n B 205 . ca B 205 . c B 206 . n parsed_6k5r 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
;
!! PHI DIHEDRAL RESTRAInTS
!195
;
2 1 3 7 parsed_6k5r 1
2 !197 6 1 6 6 parsed_6k5r 1
3 !198 9 1 9 6 parsed_6k5r 1
4 !199 12 2 12 7 parsed_6k5r 1
5 !200 15 3 15 8 parsed_6k5r 1
6 !201 18 3 18 8 parsed_6k5r 1
7 !202 21 3 21 8 parsed_6k5r 1
8 !203 24 3 24 8 parsed_6k5r 1
9 !204 27 3 27 8 parsed_6k5r 1
10 !205 30 3 30 8 parsed_6k5r 1
11
;
!! PSI DIHEDRAL RESTRAInTS
!196
;
34 1 35 6 parsed_6k5r 1
12 !197 39 1 39 6 parsed_6k5r 1
13 !198 43 1 43 6 parsed_6k5r 1
14 !199 47 1 47 6 parsed_6k5r 1
15 !200 50 1 50 6 parsed_6k5r 1
16 !201 53 1 53 6 parsed_6k5r 1
17 !202 56 1 56 6 parsed_6k5r 1
18 !203 59 1 59 6 parsed_6k5r 1
19 !204 62 1 62 6 parsed_6k5r 1
20 !205 65 1 65 6 parsed_6k5r 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: sim4_d.tbl" 1 1 1 31 parsed_6k5r 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_6k5r
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_6k5r 1
2 1 . . . parsed_6k5r 1
3 1 . . . parsed_6k5r 1
4 1 . . . parsed_6k5r 1
5 1 . . . parsed_6k5r 1
6 1 . . . parsed_6k5r 1
7 1 . . . parsed_6k5r 1
8 1 . . . parsed_6k5r 1
9 1 . . . parsed_6k5r 1
10 1 . . . parsed_6k5r 1
11 1 . . . parsed_6k5r 1
12 1 . . . parsed_6k5r 1
13 1 . . . parsed_6k5r 1
14 1 . . . parsed_6k5r 1
15 1 . . . parsed_6k5r 1
16 1 . . . parsed_6k5r 1
17 1 . . . parsed_6k5r 1
18 1 . . . parsed_6k5r 1
19 1 . . . parsed_6k5r 1
20 1 . . . parsed_6k5r 1
21 1 . . . parsed_6k5r 1
22 1 . . . parsed_6k5r 1
23 1 . . . parsed_6k5r 1
24 1 . . . parsed_6k5r 1
25 1 . . . parsed_6k5r 1
26 1 . . . parsed_6k5r 1
27 1 . . . parsed_6k5r 1
28 1 . . . parsed_6k5r 1
29 1 . . . parsed_6k5r 1
30 1 . . . parsed_6k5r 1
31 1 . . . parsed_6k5r 1
32 1 . . . parsed_6k5r 1
33 1 . . . parsed_6k5r 1
34 1 . . . parsed_6k5r 1
35 1 . . . parsed_6k5r 1
36 1 . . . parsed_6k5r 1
37 1 . . . parsed_6k5r 1
38 1 . . . parsed_6k5r 1
39 1 . . . parsed_6k5r 1
40 1 . . . parsed_6k5r 1
41 1 . . . parsed_6k5r 1
42 1 . . . parsed_6k5r 1
43 1 . . . parsed_6k5r 1
44 1 . . . parsed_6k5r 1
45 1 . . . parsed_6k5r 1
46 1 . . . parsed_6k5r 1
47 1 . . . parsed_6k5r 1
48 1 . . . parsed_6k5r 1
49 1 . . . parsed_6k5r 1
50 1 . . . parsed_6k5r 1
51 1 . . . parsed_6k5r 1
52 1 . . . parsed_6k5r 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 . . . . . . . . A 28 . HA parsed_6k5r 1
1 1 2 . . . . . . . . B 196 . HA parsed_6k5r 1
2 1 1 . . . . . . . . A 29 . HA parsed_6k5r 1
2 1 2 . . . . . . . . B 197 . HA parsed_6k5r 1
3 1 1 . . . . . . . . A 29 . HA parsed_6k5r 1
3 1 2 . . . . . . . . B 198 . HN parsed_6k5r 1
4 1 1 . . . . . . . . A 29 . HB parsed_6k5r 1
4 1 2 . . . . . . . . B 196 . HB1 parsed_6k5r 1
5 1 1 . . . . . . . . A 29 . HG11 parsed_6k5r 1
5 1 2 . . . . . . . . B 197 . HA parsed_6k5r 1
6 1 1 . . . . . . . . A 29 . HG11 parsed_6k5r 1
6 1 2 . . . . . . . . B 197 . HB1 parsed_6k5r 1
7 1 1 . . . . . . . . A 29 . HG11 parsed_6k5r 1
7 1 2 . . . . . . . . B 198 . HN parsed_6k5r 1
8 1 1 . . . . . . . . A 30 . HA parsed_6k5r 1
8 1 2 . . . . . . . . B 198 . HN parsed_6k5r 1
9 1 1 . . . . . . . . A 30 . HA parsed_6k5r 1
9 1 2 . . . . . . . . B 198 . HA parsed_6k5r 1
10 1 1 . . . . . . . . A 30 . HG11 parsed_6k5r 1
10 1 2 . . . . . . . . B 200 . HG11 parsed_6k5r 1
11 1 1 . . . . . . . . A 30 . HG21 parsed_6k5r 1
11 1 2 . . . . . . . . B 200 . HD13 parsed_6k5r 1
12 1 1 . . . . . . . . A 32 . HA parsed_6k5r 1
12 1 2 . . . . . . . . B 199 . HA parsed_6k5r 1
13 1 1 . . . . . . . . A 32 . HA parsed_6k5r 1
13 1 2 . . . . . . . . B 200 . HN parsed_6k5r 1
14 1 1 . . . . . . . . A 32 . HA parsed_6k5r 1
14 1 2 . . . . . . . . B 200 . HB parsed_6k5r 1
15 1 1 . . . . . . . . A 32 . HA parsed_6k5r 1
15 1 2 . . . . . . . . B 200 . HG23 parsed_6k5r 1
16 1 1 . . . . . . . . A 32 . HD1 parsed_6k5r 1
16 1 2 . . . . . . . . B 200 . HD11 parsed_6k5r 1
17 1 1 . . . . . . . . A 32 . HE1 parsed_6k5r 1
17 1 2 . . . . . . . . B 200 . HG12 parsed_6k5r 1
18 1 1 . . . . . . . . A 33 . HA parsed_6k5r 1
18 1 2 . . . . . . . . B 202 . HN parsed_6k5r 1
19 1 1 . . . . . . . . A 33 . HB1 parsed_6k5r 1
19 1 2 . . . . . . . . B 201 . HG11 parsed_6k5r 1
20 1 1 . . . . . . . . A 33 . HG2 parsed_6k5r 1
20 1 2 . . . . . . . . B 201 . HG12 parsed_6k5r 1
21 1 1 . . . . . . . . A 33 . HD1 parsed_6k5r 1
21 1 2 . . . . . . . . B 201 . HG13 parsed_6k5r 1
22 1 1 . . . . . . . . A 33 . HD1 parsed_6k5r 1
22 1 2 . . . . . . . . B 201 . HG23 parsed_6k5r 1
23 1 1 . . . . . . . . A 34 . HA parsed_6k5r 1
23 1 2 . . . . . . . . B 201 . HA parsed_6k5r 1
24 1 1 . . . . . . . . A 34 . HA parsed_6k5r 1
24 1 2 . . . . . . . . B 202 . HN parsed_6k5r 1
25 1 1 . . . . . . . . A 34 . HA parsed_6k5r 1
25 1 2 . . . . . . . . B 202 . HA parsed_6k5r 1
26 1 1 . . . . . . . . A 34 . HG11 parsed_6k5r 1
26 1 2 . . . . . . . . B 202 . HG11 parsed_6k5r 1
27 1 1 . . . . . . . . A 37 . HE1 parsed_6k5r 1
27 1 2 . . . . . . . . B 205 . HB1 parsed_6k5r 1
28 1 1 . . . . . . . . A 37 . HE1 parsed_6k5r 1
28 1 2 . . . . . . . . B 205 . HB2 parsed_6k5r 1
29 1 1 . . . . . . . . A 38 . HG21 parsed_6k5r 1
29 1 2 . . . . . . . . B 202 . HB parsed_6k5r 1
30 1 1 . . . . . . . . A 38 . HG21 parsed_6k5r 1
30 1 2 . . . . . . . . B 202 . HG12 parsed_6k5r 1
31 1 1 . . . . . . . . A 38 . HG21 parsed_6k5r 1
31 1 2 . . . . . . . . B 202 . HG22 parsed_6k5r 1
32 1 1 . . . . . . . . A 38 . HG21 parsed_6k5r 1
32 1 2 . . . . . . . . B 202 . HD12 parsed_6k5r 1
33 1 1 . . . . . . . . A 38 . HG21 parsed_6k5r 1
33 1 2 . . . . . . . . B 203 . HN parsed_6k5r 1
34 1 1 . . . . . . . . A 42 . HG1 parsed_6k5r 1
34 1 2 . . . . . . . . B 202 . HG11 parsed_6k5r 1
35 1 1 . . . . . . . . A 42 . HG1 parsed_6k5r 1
35 1 2 . . . . . . . . B 202 . HD12 parsed_6k5r 1
36 1 1 . . . . . . . . A 42 . HD1 parsed_6k5r 1
36 1 2 . . . . . . . . B 202 . HG11 parsed_6k5r 1
37 1 1 . . . . . . . . A 42 . HD1 parsed_6k5r 1
37 1 2 . . . . . . . . B 203 . HN parsed_6k5r 1
38 1 1 . . . . . . . . A 42 . HE2 parsed_6k5r 1
38 1 2 . . . . . . . . B 203 . HN parsed_6k5r 1
39 1 1 . . . . . . . . A 42 . HE2 parsed_6k5r 1
39 1 2 . . . . . . . . B 203 . HA parsed_6k5r 1
40 1 1 . . . . . . . . A 42 . HE2 parsed_6k5r 1
40 1 2 . . . . . . . . B 203 . HB2 parsed_6k5r 1
41 1 1 . . . . . . . . A 42 . HE2 parsed_6k5r 1
41 1 2 . . . . . . . . B 202 . HD11 parsed_6k5r 1
42 1 1 . . . . . . . . A 43 . HA parsed_6k5r 1
42 1 2 . . . . . . . . B 202 . HD11 parsed_6k5r 1
43 1 1 . . . . . . . . A 43 . HG parsed_6k5r 1
43 1 2 . . . . . . . . B 202 . HD11 parsed_6k5r 1
44 1 1 . . . . . . . . A 43 . HD11 parsed_6k5r 1
44 1 2 . . . . . . . . B 202 . HG11 parsed_6k5r 1
45 1 1 . . . . . . . . A 43 . HD11 parsed_6k5r 1
45 1 2 . . . . . . . . B 202 . HD11 parsed_6k5r 1
46 1 1 . . . . . . . . A 46 . HB2 parsed_6k5r 1
46 1 2 . . . . . . . . B 200 . HA parsed_6k5r 1
47 1 1 . . . . . . . . A 46 . HB2 parsed_6k5r 1
47 1 2 . . . . . . . . B 200 . HG1 parsed_6k5r 1
48 1 1 . . . . . . . . A 46 . HB2 parsed_6k5r 1
48 1 2 . . . . . . . . B 200 . HD11 parsed_6k5r 1
49 1 1 . . . . . . . . A 47 . HB2 parsed_6k5r 1
49 1 2 . . . . . . . . B 200 . HG11 parsed_6k5r 1
50 1 1 . . . . . . . . A 50 . HB1 parsed_6k5r 1
50 1 2 . . . . . . . . B 200 . HD11 parsed_6k5r 1
51 1 1 . . . . . . . . A 50 . HG1 parsed_6k5r 1
51 1 2 . . . . . . . . B 198 . HB2 parsed_6k5r 1
52 1 1 . . . . . . . . A 50 . HG1 parsed_6k5r 1
52 1 2 . . . . . . . . B 200 . HD11 parsed_6k5r 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 . . . . . 5 3.2 5.5 parsed_6k5r 1
2 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
3 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
4 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
5 1 . . . . . 3 1.2 3.5 parsed_6k5r 1
6 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
7 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
8 1 . . . . . 3 1.2 3.5 parsed_6k5r 1
9 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
10 1 . . . . . 2 0.2 2.5 parsed_6k5r 1
11 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
12 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
13 1 . . . . . 3 1.2 3.5 parsed_6k5r 1
14 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
15 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
16 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
17 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
18 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
19 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
20 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
21 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
22 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
23 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
24 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
25 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
26 1 . . . . . 4 2.2 4.5 parsed_6k5r 1
27 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
28 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
29 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
30 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
31 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
32 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
33 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
34 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
35 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
36 1 . . . . . 2 0.2 2.5 parsed_6k5r 1
37 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
38 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
39 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
40 1 . . . . . 7 5.2 7.5 parsed_6k5r 1
41 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
42 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
43 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
44 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
45 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
46 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
47 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
48 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
49 1 . . . . . 5 3.2 5.5 parsed_6k5r 1
50 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
51 1 . . . . . 6 4.2 6.5 parsed_6k5r 1
52 1 . . . . . 5 3.2 5.5 parsed_6k5r 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 2: xplor-Intnoes.list" 1 1 1 39 parsed_6k5r 1
stop_
save_
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