NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
586827 |
2mr9   |
25066 | cing | 2-parsed | STAR | entry | full | 122 |
data_2mr9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mr9
_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_2mr9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mr9
_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 2mr9 "Master copy" parsed_2mr9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mr9
_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 2mr9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mr9 1
1 2mr9.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 76 parsed_2mr9 1
1 2mr9.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 18 parsed_2mr9 1
1 2mr9.mr . . XPLOR/CNS 4 "dipolar coupling" "Not applicable" "Not applicable" 28 parsed_2mr9 1
1 2mr9.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mr9 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_2mr9
_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 HYDROLASE 02-JUL-14 2MR9
*TITLE NMR STRUCTURE OF UBA DOMAIN OF DNA-DAMAGE-INDUCIBLE 1 PROTEIN (DDI1)
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: DNA DAMAGE-INDUCIBLE PROTEIN 1;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: UBIQUITIN ASSOCIATED DOMAIN, UNP RESIDUES 389-428;
*COMPND 5 SYNONYM: V-SNARE-MASTER 1;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
*SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
*SOURCE 4 ORGANISM_TAXID: 559292;
*SOURCE 5 STRAIN: ATCC 204508 / S288C;
*SOURCE 6 GENE: DDI1, VSM1, YER143W;
*SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;
*SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PGEX 4T2
*KEYWDS DNA-DAMAGE-INDUCIBLE 1 PROTEIN, UBIQUITIN ASSOCIATED DOMAIN, DDI1,
*KEYWDS 2 UBA, HYDROLASE
*EXPDTA SOLUTION NMR
*NUMMDL 10
*AUTHOR D.ZHANG, D.FUSHMAN
*REVDAT 1 04-FEB-15 2MR9 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mr9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -31 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mr9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150 -46 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mr9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -45 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mr9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -43 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mr9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -44 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mr9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -50 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2mr9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -58 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2mr9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -48 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2mr9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -100 -44 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2mr9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108 -48 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2mr9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71 -51 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2mr9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -54 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2mr9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -45 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2mr9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153 -57 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2mr9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -47 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2mr9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -27 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_2mr9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -38 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_2mr9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -51 . . 21 . C . 22 . N . 22 . CA . 22 . C parsed_2mr9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -48 . . 22 . C . 23 . N . 23 . CA . 23 . C parsed_2mr9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71 -47 . . 23 . C . 24 . N . 24 . CA . 24 . C parsed_2mr9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -52 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2mr9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79 -47 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_2mr9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -54 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2mr9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -47 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2mr9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -47 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2mr9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -52 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2mr9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 48 68 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2mr9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 38 122 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2mr9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -147 21 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2mr9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -111 -25 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2mr9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2mr9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -51 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2mr9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -54 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_2mr9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -50 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_2mr9 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -48 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_2mr9 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81 -49 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2mr9 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -54 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2mr9 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -43 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2mr9 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -14 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mr9 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54 186 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mr9 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 96 180 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mr9 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -24 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mr9 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -9 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mr9 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -37 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2mr9 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -35 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2mr9 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -34 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2mr9 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -7 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2mr9 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -22 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2mr9 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57 -25 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2mr9 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -7 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2mr9 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 11 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2mr9 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43 183 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2mr9 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130 164 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2mr9 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -16 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_2mr9 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 21 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_2mr9 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51 -31 . . 22 . N . 22 . CA . 22 . C . 23 . N parsed_2mr9 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -27 . . 23 . N . 23 . CA . 23 . C . 24 . N parsed_2mr9 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -21 . . 24 . N . 24 . CA . 24 . C . 25 . N parsed_2mr9 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -31 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2mr9 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -23 . . 26 . N . 26 . CA . 26 . C . 27 . N parsed_2mr9 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -31 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2mr9 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -28 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2mr9 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -9 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2mr9 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 33 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2mr9 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 61 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2mr9 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -23 33 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2mr9 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45 213 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2mr9 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 22 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2mr9 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -20 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2mr9 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -23 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2mr9 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -33 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_2mr9 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -29 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_2mr9 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -5 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_2mr9 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -29 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2mr9 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -36 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2mr9 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -2 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2mr9 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 and psi dihedral restraint file generated by Talos2Aria.py
TALOS filename:
pred_uba_mod.tab
settings: min phiError=None, min psiError=None, errorFactor=2.0
Talos derived phi restraint:
;
1 1 9 31 parsed_2mr9 1
2 "Talos derived phi restraint:" 16 1 16 31 parsed_2mr9 1
3 "Talos derived phi restraint:" 23 1 23 31 parsed_2mr9 1
4 "Talos derived phi restraint:" 30 1 30 31 parsed_2mr9 1
5 "Talos derived phi restraint:" 37 1 37 31 parsed_2mr9 1
6 "Talos derived phi restraint:" 44 1 44 31 parsed_2mr9 1
7 "Talos derived phi restraint:" 51 1 51 31 parsed_2mr9 1
8 "Talos derived phi restraint:" 58 1 58 31 parsed_2mr9 1
9 "Talos derived phi restraint:" 65 1 65 31 parsed_2mr9 1
10 "Talos derived phi restraint:" 72 1 72 31 parsed_2mr9 1
11 "Talos derived phi restraint:" 79 1 79 31 parsed_2mr9 1
12 "Talos derived phi restraint:" 86 1 86 31 parsed_2mr9 1
13 "Talos derived phi restraint:" 93 1 93 31 parsed_2mr9 1
14 "Talos derived phi restraint:" 100 1 100 31 parsed_2mr9 1
15 "Talos derived phi restraint:" 107 1 107 31 parsed_2mr9 1
16 "Talos derived phi restraint:" 114 1 114 31 parsed_2mr9 1
17 "Talos derived phi restraint:" 121 1 121 31 parsed_2mr9 1
18 "Talos derived phi restraint:" 128 1 128 31 parsed_2mr9 1
19 "Talos derived phi restraint:" 135 1 135 31 parsed_2mr9 1
20 "Talos derived phi restraint:" 142 1 142 31 parsed_2mr9 1
21 "Talos derived phi restraint:" 149 1 149 31 parsed_2mr9 1
22 "Talos derived phi restraint:" 156 1 156 31 parsed_2mr9 1
23 "Talos derived phi restraint:" 163 1 163 31 parsed_2mr9 1
24 "Talos derived phi restraint:" 170 1 170 31 parsed_2mr9 1
25 "Talos derived phi restraint:" 177 1 177 31 parsed_2mr9 1
26 "Talos derived phi restraint:" 184 1 184 31 parsed_2mr9 1
27 "Talos derived phi restraint:" 191 1 191 31 parsed_2mr9 1
28 "Talos derived phi restraint:" 198 1 198 31 parsed_2mr9 1
29 "Talos derived phi restraint:" 205 1 205 31 parsed_2mr9 1
30 "Talos derived phi restraint:" 212 1 212 31 parsed_2mr9 1
31 "Talos derived phi restraint:" 219 1 219 31 parsed_2mr9 1
32 "Talos derived phi restraint:" 226 1 226 31 parsed_2mr9 1
33 "Talos derived phi restraint:" 233 1 233 31 parsed_2mr9 1
34 "Talos derived phi restraint:" 240 1 240 31 parsed_2mr9 1
35 "Talos derived phi restraint:" 247 1 247 31 parsed_2mr9 1
36 "Talos derived phi restraint:" 254 1 254 31 parsed_2mr9 1
37 "Talos derived phi restraint:" 261 1 261 31 parsed_2mr9 1
38 "Talos derived phi restraint:" 268 1 268 31 parsed_2mr9 1
39 "Talos derived psi restraint:" 275 1 275 31 parsed_2mr9 1
40 "Talos derived psi restraint:" 282 1 282 31 parsed_2mr9 1
41 "Talos derived psi restraint:" 289 1 289 31 parsed_2mr9 1
42 "Talos derived psi restraint:" 296 1 296 31 parsed_2mr9 1
43 "Talos derived psi restraint:" 303 1 303 31 parsed_2mr9 1
44 "Talos derived psi restraint:" 310 1 310 31 parsed_2mr9 1
45 "Talos derived psi restraint:" 317 1 317 31 parsed_2mr9 1
46 "Talos derived psi restraint:" 324 1 324 31 parsed_2mr9 1
47 "Talos derived psi restraint:" 331 1 331 31 parsed_2mr9 1
48 "Talos derived psi restraint:" 338 1 338 31 parsed_2mr9 1
49 "Talos derived psi restraint:" 345 1 345 31 parsed_2mr9 1
50 "Talos derived psi restraint:" 352 1 352 31 parsed_2mr9 1
51 "Talos derived psi restraint:" 359 1 359 31 parsed_2mr9 1
52 "Talos derived psi restraint:" 366 1 366 31 parsed_2mr9 1
53 "Talos derived psi restraint:" 373 1 373 31 parsed_2mr9 1
54 "Talos derived psi restraint:" 380 1 380 31 parsed_2mr9 1
55 "Talos derived psi restraint:" 387 1 387 31 parsed_2mr9 1
56 "Talos derived psi restraint:" 394 1 394 31 parsed_2mr9 1
57 "Talos derived psi restraint:" 401 1 401 31 parsed_2mr9 1
58 "Talos derived psi restraint:" 408 1 408 31 parsed_2mr9 1
59 "Talos derived psi restraint:" 415 1 415 31 parsed_2mr9 1
60 "Talos derived psi restraint:" 422 1 422 31 parsed_2mr9 1
61 "Talos derived psi restraint:" 429 1 429 31 parsed_2mr9 1
62 "Talos derived psi restraint:" 436 1 436 31 parsed_2mr9 1
63 "Talos derived psi restraint:" 443 1 443 31 parsed_2mr9 1
64 "Talos derived psi restraint:" 450 1 450 31 parsed_2mr9 1
65 "Talos derived psi restraint:" 457 1 457 31 parsed_2mr9 1
66 "Talos derived psi restraint:" 464 1 464 31 parsed_2mr9 1
67 "Talos derived psi restraint:" 471 1 471 31 parsed_2mr9 1
68 "Talos derived psi restraint:" 478 1 478 31 parsed_2mr9 1
69 "Talos derived psi restraint:" 485 1 485 31 parsed_2mr9 1
70 "Talos derived psi restraint:" 492 1 492 31 parsed_2mr9 1
71 "Talos derived psi restraint:" 499 1 499 31 parsed_2mr9 1
72 "Talos derived psi restraint:" 506 1 506 31 parsed_2mr9 1
73 "Talos derived psi restraint:" 513 1 513 31 parsed_2mr9 1
74 "Talos derived psi restraint:" 520 1 520 31 parsed_2mr9 1
75 "Talos derived psi restraint:" 527 1 527 31 parsed_2mr9 1
76 "Talos derived psi restraint:" 534 1 534 31 parsed_2mr9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mr9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2mr9 1
2 1 . . . parsed_2mr9 1
3 1 . . . parsed_2mr9 1
4 1 . . . parsed_2mr9 1
5 1 . . . parsed_2mr9 1
6 1 . . . parsed_2mr9 1
7 1 . . . parsed_2mr9 1
8 1 . . . parsed_2mr9 1
9 1 . . . parsed_2mr9 1
10 1 . . . parsed_2mr9 1
11 1 . . . parsed_2mr9 1
12 1 . . . parsed_2mr9 1
13 1 . . . parsed_2mr9 1
14 1 . . . parsed_2mr9 1
15 1 . . . parsed_2mr9 1
16 1 . . . parsed_2mr9 1
17 1 . . . parsed_2mr9 1
18 1 . . . parsed_2mr9 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 . . . . . . . . . 41 . N parsed_2mr9 1
1 1 2 . . . . . . . . . "36: 38" . O parsed_2mr9 1
2 1 1 . . . . . . . . . 41 . HN parsed_2mr9 1
2 1 2 . . . . . . . . . "36: 38" . O parsed_2mr9 1
3 1 1 . . . . . . . . . 42 . N parsed_2mr9 1
3 1 2 . . . . . . . . . "37: 39" . O parsed_2mr9 1
4 1 1 . . . . . . . . . 42 . HN parsed_2mr9 1
4 1 2 . . . . . . . . . "37: 39" . O parsed_2mr9 1
5 1 1 . . . . . . . . . 43 . N parsed_2mr9 1
5 1 2 . . . . . . . . . "38: 40" . O parsed_2mr9 1
6 1 1 . . . . . . . . . 43 . HN parsed_2mr9 1
6 1 2 . . . . . . . . . "38: 40" . O parsed_2mr9 1
7 1 1 . . . . . . . . . 44 . N parsed_2mr9 1
7 1 2 . . . . . . . . . "39: 41" . O parsed_2mr9 1
8 1 1 . . . . . . . . . 44 . HN parsed_2mr9 1
8 1 2 . . . . . . . . . "39: 41" . O parsed_2mr9 1
9 1 1 . . . . . . . . . 45 . N parsed_2mr9 1
9 1 2 . . . . . . . . . "40: 42" . O parsed_2mr9 1
10 1 1 . . . . . . . . . 45 . HN parsed_2mr9 1
10 1 2 . . . . . . . . . "40: 42" . O parsed_2mr9 1
11 1 1 . . . . . . . . . 46 . N parsed_2mr9 1
11 1 2 . . . . . . . . . "41: 43" . O parsed_2mr9 1
12 1 1 . . . . . . . . . 46 . HN parsed_2mr9 1
12 1 2 . . . . . . . . . "41: 43" . O parsed_2mr9 1
13 1 1 . . . . . . . . . 47 . N parsed_2mr9 1
13 1 2 . . . . . . . . . "42: 44" . O parsed_2mr9 1
14 1 1 . . . . . . . . . 47 . HN parsed_2mr9 1
14 1 2 . . . . . . . . . "42: 44" . O parsed_2mr9 1
15 1 1 . . . . . . . . . 48 . N parsed_2mr9 1
15 1 2 . . . . . . . . . "43: 45" . O parsed_2mr9 1
16 1 1 . . . . . . . . . 48 . HN parsed_2mr9 1
16 1 2 . . . . . . . . . "43: 45" . O parsed_2mr9 1
17 1 1 . . . . . . . . . 49 . N parsed_2mr9 1
17 1 2 . . . . . . . . . "44: 46" . O parsed_2mr9 1
18 1 1 . . . . . . . . . 49 . HN parsed_2mr9 1
18 1 2 . . . . . . . . . "44: 46" . O parsed_2mr9 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 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
2 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
3 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
4 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
5 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
6 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
7 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
8 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
9 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
10 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
11 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
12 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
13 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
14 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
15 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
16 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 1
17 1 . . . . . 3.2 2.2 3.2 parsed_2mr9 1
18 1 . . . . . 2.2 1.2 2.2 parsed_2mr9 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
;
dihedral angle file generated by Csi2Aria.py
CSI derived hbond restraint:
;
1 1 3 31 parsed_2mr9 1
2 "CSI derived hbond restraint:" 6 1 6 31 parsed_2mr9 1
3 "CSI derived hbond restraint:" 9 1 9 31 parsed_2mr9 1
4 "CSI derived hbond restraint:" 12 1 12 31 parsed_2mr9 1
5 "CSI derived hbond restraint:" 15 1 15 31 parsed_2mr9 1
6 "CSI derived hbond restraint:" 18 1 18 31 parsed_2mr9 1
7 "CSI derived hbond restraint:" 21 1 21 31 parsed_2mr9 1
8 "CSI derived hbond restraint:" 24 1 24 31 parsed_2mr9 1
9 "CSI derived hbond restraint:" 27 1 27 31 parsed_2mr9 1
10 "CSI derived hbond restraint:" 30 1 30 31 parsed_2mr9 1
11 "CSI derived hbond restraint:" 33 1 33 31 parsed_2mr9 1
12 "CSI derived hbond restraint:" 36 1 36 31 parsed_2mr9 1
13 "CSI derived hbond restraint:" 39 1 39 31 parsed_2mr9 1
14 "CSI derived hbond restraint:" 42 1 42 31 parsed_2mr9 1
15 "CSI derived hbond restraint:" 45 1 45 31 parsed_2mr9 1
16 "CSI derived hbond restraint:" 48 1 48 31 parsed_2mr9 1
17 "CSI derived hbond restraint:" 51 1 51 31 parsed_2mr9 1
18 "CSI derived hbond restraint:" 54 1 54 31 parsed_2mr9 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2mr9
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_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 . . . . . . . . . . . . . . . . -3.510 . . . . . 7 . N . 7 . HN parsed_2mr9 1
2 . . . . . . . . . . . . . . . . -4.296 . . . . . 8 . N . 8 . HN parsed_2mr9 1
3 . . . . . . . . . . . . . . . . -1.433 . . . . . 9 . N . 9 . HN parsed_2mr9 1
4 . . . . . . . . . . . . . . . . -3.482 . . . . . 10 . N . 10 . HN parsed_2mr9 1
5 . . . . . . . . . . . . . . . . -5.850 . . . . . 11 . N . 11 . HN parsed_2mr9 1
6 . . . . . . . . . . . . . . . . -3.030 . . . . . 12 . N . 12 . HN parsed_2mr9 1
7 . . . . . . . . . . . . . . . . -1.739 . . . . . 13 . N . 13 . HN parsed_2mr9 1
8 . . . . . . . . . . . . . . . . -4.350 . . . . . 14 . N . 14 . HN parsed_2mr9 1
9 . . . . . . . . . . . . . . . . 3.782 . . . . . 20 . N . 20 . HN parsed_2mr9 1
10 . . . . . . . . . . . . . . . . 2.582 . . . . . 21 . N . 21 . HN parsed_2mr9 1
11 . . . . . . . . . . . . . . . . 1.312 . . . . . 22 . N . 22 . HN parsed_2mr9 1
12 . . . . . . . . . . . . . . . . 4.233 . . . . . 23 . N . 23 . HN parsed_2mr9 1
13 . . . . . . . . . . . . . . . . 4.310 . . . . . 24 . N . 24 . HN parsed_2mr9 1
14 . . . . . . . . . . . . . . . . 1.941 . . . . . 25 . N . 25 . HN parsed_2mr9 1
15 . . . . . . . . . . . . . . . . 2.182 . . . . . 26 . N . 26 . HN parsed_2mr9 1
16 . . . . . . . . . . . . . . . . 4.500 . . . . . 27 . N . 27 . HN parsed_2mr9 1
17 . . . . . . . . . . . . . . . . 2.334 . . . . . 28 . N . 28 . HN parsed_2mr9 1
18 . . . . . . . . . . . . . . . . 1.472 . . . . . 29 . N . 29 . HN parsed_2mr9 1
19 . . . . . . . . . . . . . . . . 3.586 . . . . . 30 . N . 30 . HN parsed_2mr9 1
20 . . . . . . . . . . . . . . . . -6.158 . . . . . 34 . N . 34 . HN parsed_2mr9 1
21 . . . . . . . . . . . . . . . . -2.018 . . . . . 35 . N . 35 . HN parsed_2mr9 1
22 . . . . . . . . . . . . . . . . -4.623 . . . . . 36 . N . 36 . HN parsed_2mr9 1
23 . . . . . . . . . . . . . . . . -5.859 . . . . . 37 . N . 37 . HN parsed_2mr9 1
24 . . . . . . . . . . . . . . . . -4.074 . . . . . 38 . N . 38 . HN parsed_2mr9 1
25 . . . . . . . . . . . . . . . . -1.659 . . . . . 39 . N . 39 . HN parsed_2mr9 1
26 . . . . . . . . . . . . . . . . -6.046 . . . . . 40 . N . 40 . HN parsed_2mr9 1
27 . . . . . . . . . . . . . . . . -4.524 . . . . . 41 . N . 41 . HN parsed_2mr9 1
28 . . . . . . . . . . . . . . . . -1.069 . . . . . 42 . N . 42 . HN parsed_2mr9 1
stop_
save_
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