NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
|
|
37736 |
1q38   |
cing | 2-parsed | STAR | entry | full | 106 |
data_1q38_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1q38
_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_1q38 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1q38
_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 1q38 "Master copy" parsed_1q38
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1q38
_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 1q38.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 75 parsed_1q38 1
1 1q38.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 31 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 5 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 6 peak "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 7 "chemical shift" "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . XPLOR/CNS 8 peak "Not applicable" "Not applicable" 0 parsed_1q38 1
1 1q38.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1q38 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_1q38
_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 CELL ADHESION 28-JUL-03 1Q38
*TITLE ANASTELLIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: FIBRONECTIN;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: TYPE 3 (FN3) DOMAIN;
*COMPND 5 SYNONYM: FN, COLD-INSOLUBLE GLOBULIN, CIG, ANASTELLIN;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 GENE: FN1 OR FN;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA
*KEYWDS AMYLOID FIBRIL, ANASTELLIN, EXTRACELLULAR MATRIX,
*KEYWDS 2 FIBRONECTIN TYPE 3 (FN3) DOMAIN, DYNAMIC FLUCTUATIONS,
*KEYWDS 3 CONFORMATIONAL EXCHANGE, CHAPS
*EXPDTA NMR, 35 STRUCTURES
*AUTHOR K.BRIKNAROVA, M.E.AKERMAN, D.W.HOYT, E.RUOSLAHTI, K.R.ELY
*REVDAT 1 04-NOV-03 1Q38 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1q38
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 128.2 157.2 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_1q38 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 145.2 166.6 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_1q38 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 125.8 156.6 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_1q38 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 102.3 146.3 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_1q38 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.9 145.1 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_1q38 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.3 154.9 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_1q38 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133.2 163.6 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_1q38 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 138.8 162.6 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_1q38 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.5 141.9 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_1q38 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.4 -8.4 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_1q38 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 124.8 157.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_1q38 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 112.2 149.0 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_1q38 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.8 140.4 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_1q38 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.3 142.1 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_1q38 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.9 -4.3 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_1q38 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 106.0 160.0 . . 39 . n . 39 . ca . 39 . c . 40 . n parsed_1q38 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 99.7 129.5 . . 40 . n . 40 . ca . 40 . c . 41 . n parsed_1q38 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.5 147.3 . . 41 . n . 41 . ca . 41 . c . 42 . n parsed_1q38 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.8 137.2 . . 42 . n . 42 . ca . 42 . c . 43 . n parsed_1q38 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 113.1 136.5 . . 49 . n . 49 . ca . 49 . c . 50 . n parsed_1q38 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 103.9 146.3 . . 50 . n . 50 . ca . 50 . c . 51 . n parsed_1q38 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.7 159.5 . . 52 . n . 52 . ca . 52 . c . 53 . n parsed_1q38 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.9 152.3 . . 54 . n . 54 . ca . 54 . c . 55 . n parsed_1q38 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.0 133.4 . . 55 . n . 55 . ca . 55 . c . 56 . n parsed_1q38 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.0 137.8 . . 56 . n . 56 . ca . 56 . c . 57 . n parsed_1q38 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 115.4 153.4 . . 57 . n . 57 . ca . 57 . c . 58 . n parsed_1q38 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 108.3 131.9 . . 58 . n . 58 . ca . 58 . c . 59 . n parsed_1q38 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 121.2 182.6 . . 59 . n . 59 . ca . 59 . c . 60 . n parsed_1q38 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -32.4 -4.4 . . 60 . n . 60 . ca . 60 . c . 61 . n parsed_1q38 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -4.5 15.5 . . 61 . n . 61 . ca . 61 . c . 62 . n parsed_1q38 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 144.0 . . 65 . n . 65 . ca . 65 . c . 66 . n parsed_1q38 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 114.4 140.8 . . 66 . n . 66 . ca . 66 . c . 67 . n parsed_1q38 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 141.2 . . 67 . n . 67 . ca . 67 . c . 68 . n parsed_1q38 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.6 148.2 . . 68 . n . 68 . ca . 68 . c . 69 . n parsed_1q38 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 127.4 159.0 . . 69 . n . 69 . ca . 69 . c . 70 . n parsed_1q38 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 119.7 158.1 . . 70 . n . 70 . ca . 70 . c . 71 . n parsed_1q38 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 142.9 162.3 . . 71 . n . 71 . ca . 71 . c . 72 . n parsed_1q38 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.5 166.5 . . 72 . n . 72 . ca . 72 . c . 73 . n parsed_1q38 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -103.9 -67.7 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1q38 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -174.9 -99.7 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_1q38 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.1 -102.7 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1q38 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -136.4 -115.2 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1q38 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.4 -106.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1q38 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -143.6 -100.6 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1q38 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161.9 -115.7 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1q38 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -92.8 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1q38 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.8 -59.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1q38 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.1 -60.9 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1q38 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.6 -120.8 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1q38 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.8 -113.8 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_1q38 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.0 -85.8 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_1q38 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -139.2 -86.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1q38 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.7 -66.3 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1q38 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.8 -77.4 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1q38 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -127.9 -83.9 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1q38 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -128.1 -98.7 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1q38 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.7 -82.1 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1q38 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.5 -77.1 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1q38 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.7 -78.3 . . 49 . c . 50 . n . 50 . ca . 50 . c parsed_1q38 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.1 -80.1 . . 51 . c . 52 . n . 52 . ca . 52 . c parsed_1q38 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.7 -102.7 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1q38 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.5 -100.7 . . 54 . c . 55 . n . 55 . ca . 55 . c parsed_1q38 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115.8 -92.6 . . 55 . c . 56 . n . 56 . ca . 56 . c parsed_1q38 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -140.2 -83.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1q38 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113.0 -75.6 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1q38 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -124.6 -78.4 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1q38 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.5 -61.5 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1q38 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -102.6 -82.4 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1q38 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -145.1 -97.5 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1q38 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -133.5 -94.5 . . 65 . c . 66 . n . 66 . ca . 66 . c parsed_1q38 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -137.0 -100.0 . . 66 . c . 67 . n . 67 . ca . 67 . c parsed_1q38 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111.3 -84.5 . . 67 . c . 68 . n . 68 . ca . 68 . c parsed_1q38 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -155.5 -119.1 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1q38 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -96.2 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1q38 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -151.5 -122.3 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1q38 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
;
022702 from TALOS
psi
;
2 1 3 5 parsed_1q38 1
2 "phi from TALOS" 83 1 83 16 parsed_1q38 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
;
assign (resid 71 and name c) (resid 72 and name n)
(resid 72 and name ca) (resid 72 and name c) 1 -124.5 22.0 2ASSIGN (RESID 58 AND NAME O )
;
158 1 159 100 parsed_1q38 1
stop_
save_
save_MR_file_comment_3
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_1q38
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 3
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
(RESID 14 AND NAME HN ) 2.0 0.4 0.4
;
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1q38
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_1q38 1
2 1 . . . parsed_1q38 1
3 1 . . . parsed_1q38 1
4 1 . . . parsed_1q38 1
5 1 . . . parsed_1q38 1
6 1 . . . parsed_1q38 1
7 1 . . . parsed_1q38 1
8 1 . . . parsed_1q38 1
9 1 . . . parsed_1q38 1
10 1 . . . parsed_1q38 1
11 1 . . . parsed_1q38 1
12 1 . . . parsed_1q38 1
13 1 . . . parsed_1q38 1
14 1 . . . parsed_1q38 1
15 1 . . . parsed_1q38 1
16 1 . . . parsed_1q38 1
17 1 . . . parsed_1q38 1
18 1 . . . parsed_1q38 1
19 1 . . . parsed_1q38 1
20 1 . . . parsed_1q38 1
21 1 . . . parsed_1q38 1
22 1 . . . parsed_1q38 1
23 1 . . . parsed_1q38 1
24 1 . . . parsed_1q38 1
25 1 . . . parsed_1q38 1
26 1 . . . parsed_1q38 1
27 1 . . . parsed_1q38 1
28 1 . . . parsed_1q38 1
29 1 . . . parsed_1q38 1
30 1 . . . parsed_1q38 1
31 1 . . . parsed_1q38 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 . . . . . . . . . 58 . O parsed_1q38 1
1 1 2 . . . . . . . . . 14 . N parsed_1q38 1
2 1 1 . . . . . . . . . 14 . O parsed_1q38 1
2 1 2 . . . . . . . . . 58 . HN parsed_1q38 1
3 1 1 . . . . . . . . . 14 . O parsed_1q38 1
3 1 2 . . . . . . . . . 58 . N parsed_1q38 1
4 1 1 . . . . . . . . . 56 . O parsed_1q38 1
4 1 2 . . . . . . . . . 16 . HN parsed_1q38 1
5 1 1 . . . . . . . . . 56 . O parsed_1q38 1
5 1 2 . . . . . . . . . 16 . N parsed_1q38 1
6 1 1 . . . . . . . . . 16 . O parsed_1q38 1
6 1 2 . . . . . . . . . 56 . HN parsed_1q38 1
7 1 1 . . . . . . . . . 16 . O parsed_1q38 1
7 1 2 . . . . . . . . . 56 . N parsed_1q38 1
8 1 1 . . . . . . . . . 52 . O parsed_1q38 1
8 1 2 . . . . . . . . . 20 . HN parsed_1q38 1
9 1 1 . . . . . . . . . 52 . O parsed_1q38 1
9 1 2 . . . . . . . . . 20 . N parsed_1q38 1
10 1 1 . . . . . . . . . 20 . O parsed_1q38 1
10 1 2 . . . . . . . . . 52 . HN parsed_1q38 1
11 1 1 . . . . . . . . . 20 . O parsed_1q38 1
11 1 2 . . . . . . . . . 52 . N parsed_1q38 1
12 1 1 . . . . . . . . . 33 . O parsed_1q38 1
12 1 2 . . . . . . . . . 15 . HN parsed_1q38 1
13 1 1 . . . . . . . . . 33 . O parsed_1q38 1
13 1 2 . . . . . . . . . 15 . N parsed_1q38 1
14 1 1 . . . . . . . . . 15 . O parsed_1q38 1
14 1 2 . . . . . . . . . 33 . HN parsed_1q38 1
15 1 1 . . . . . . . . . 15 . O parsed_1q38 1
15 1 2 . . . . . . . . . 33 . N parsed_1q38 1
16 1 1 . . . . . . . . . 31 . O parsed_1q38 1
16 1 2 . . . . . . . . . 17 . HN parsed_1q38 1
17 1 1 . . . . . . . . . 31 . O parsed_1q38 1
17 1 2 . . . . . . . . . 17 . N parsed_1q38 1
18 1 1 . . . . . . . . . 17 . O parsed_1q38 1
18 1 2 . . . . . . . . . 31 . HN parsed_1q38 1
19 1 1 . . . . . . . . . 17 . O parsed_1q38 1
19 1 2 . . . . . . . . . 31 . N parsed_1q38 1
20 1 1 . . . . . . . . . 29 . O parsed_1q38 1
20 1 2 . . . . . . . . . 19 . HN parsed_1q38 1
21 1 1 . . . . . . . . . 29 . O parsed_1q38 1
21 1 2 . . . . . . . . . 19 . N parsed_1q38 1
22 1 1 . . . . . . . . . 19 . O parsed_1q38 1
22 1 2 . . . . . . . . . 29 . HN parsed_1q38 1
23 1 1 . . . . . . . . . 19 . O parsed_1q38 1
23 1 2 . . . . . . . . . 29 . N parsed_1q38 1
24 1 1 . . . . . . . . . 53 . O parsed_1q38 1
24 1 2 . . . . . . . . . 69 . HN parsed_1q38 1
25 1 1 . . . . . . . . . 53 . O parsed_1q38 1
25 1 2 . . . . . . . . . 69 . N parsed_1q38 1
26 1 1 . . . . . . . . . 69 . O parsed_1q38 1
26 1 2 . . . . . . . . . 53 . HN parsed_1q38 1
27 1 1 . . . . . . . . . 69 . O parsed_1q38 1
27 1 2 . . . . . . . . . 53 . N parsed_1q38 1
28 1 1 . . . . . . . . . 51 . O parsed_1q38 1
28 1 2 . . . . . . . . . 71 . HN parsed_1q38 1
29 1 1 . . . . . . . . . 51 . O parsed_1q38 1
29 1 2 . . . . . . . . . 71 . N parsed_1q38 1
30 1 1 . . . . . . . . . 71 . O parsed_1q38 1
30 1 2 . . . . . . . . . 51 . HN parsed_1q38 1
31 1 1 . . . . . . . . . 71 . O parsed_1q38 1
31 1 2 . . . . . . . . . 51 . N parsed_1q38 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 . . . . . 2.9 2.4 3.4 parsed_1q38 1
2 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
3 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
4 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
5 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
6 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
7 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
8 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
9 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
10 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
11 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
12 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
13 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
14 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
15 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
16 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
17 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
18 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
19 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
20 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
21 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
22 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
23 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
24 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
25 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
26 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
27 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
28 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
29 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
30 1 . . . . . 2.0 1.6 2.4 parsed_1q38 1
31 1 . . . . . 2.9 2.4 3.4 parsed_1q38 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1
;
ASSIGN (RESID 54 AND NAME O ) (RESID 18 AND NAME HN ) 2.0 0.4 0.4
ASSIGN (RESID 54 AND NAME O ) (RESID 18 AND NAME N ) 2.9 0.5 0.5
ASSIGN (RESID 18 AND NAME O ) (RESID 54 AND NAME HN ) 2.0 0.4 0.4
ASSIGN (RESID 18 AND NAME O ) (RESID 54 AND NAME N ) 2.9 0.5 0.5
;
8 1 11 81 parsed_1q38 1
stop_
save_
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