NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
473312 |
2nln   |
7322 | cing | 2-parsed | STAR | entry | full | 314 |
data_2nln_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nln
_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_2nln 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nln
_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 2nln "Master copy" parsed_2nln
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nln
_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 2nln.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . unknown 2 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . unknown 3 peak "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . unknown 4 peak "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . ARIA 5 distance NOE simple 0 parsed_2nln 1
1 2nln.mr . . unknown 6 peak "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 124 parsed_2nln 1
1 2nln.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 96 parsed_2nln 1
1 2nln.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . XPLOR/CNS 12 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_2nln 1
1 2nln.mr . . XPLOR/CNS 14 "dipolar coupling" "Not applicable" "Not applicable" 94 parsed_2nln 1
1 2nln.mr . . "MR format" 15 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nln 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_2nln
_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 METAL BINDING PROTEIN 20-OCT-06 2NLN
*TITLE SOLUTION STRUCTURE OF CALCIUM-FREE RAT BETA-PARVALBUMIN
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: ONCOMODULIN;
*COMPND 3 CHAIN: A;
*COMPND 4 SYNONYM: OM, PARVALBUMIN BETA;
*COMPND 5 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;
*SOURCE 3 ORGANISM_COMMON: RAT;
*SOURCE 4 GENE: OCM;
*SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 6 EXPRESSION_SYSTEM_COMMON: BACTERIA;
*SOURCE 7 EXPRESSION_SYSTEM_STRAIN: DH5ALPHA;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
*SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PBLUESCRIPT
*KEYWDS CALCIUM-BINDING PROTEIN, RAT BETA PARVALBUMIN, RAT
*KEYWDS 2 ONCOMODULIN, METAL BINDING PROTEIN
*EXPDTA NMR, 20 STRUCTURES
*AUTHOR M.T.HENZL
*REVDAT 1 11-SEP-07 2NLN 0
;
save_
save_MR_file_comment_7
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2nln
_Org_constr_file_comment.ID 2
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 7
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
phi and psi dihedral restraints generated by CSI:
;
save_
save_CNS/XPLOR_dihedral_8
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nln
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2nln 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2nln 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2nln 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2nln 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2nln 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2nln 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2nln 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2nln 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2nln 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2nln 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2nln 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2nln 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_2nln 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2nln 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2nln 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2nln 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2nln 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 31 . C . 32 . N . 32 . CA . 32 . C parsed_2nln 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 32 . C . 33 . N . 33 . CA . 33 . C parsed_2nln 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 33 . C . 34 . N . 34 . CA . 34 . C parsed_2nln 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 34 . C . 35 . N . 35 . CA . 35 . C parsed_2nln 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_2nln 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2nln 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2nln 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2nln 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2nln 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_2nln 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2nln 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2nln 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_2nln 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2nln 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_2nln 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_2nln 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_2nln 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 58 . C . 59 . N . 59 . CA . 59 . C parsed_2nln 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2nln 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2nln 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 62 . C . 63 . N . 63 . CA . 63 . C parsed_2nln 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2nln 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2nln 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2nln 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_2nln 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2nln 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2nln 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2nln 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2nln 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2nln 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2nln 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2nln 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2nln 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 86 . C . 87 . N . 87 . CA . 87 . C parsed_2nln 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 87 . C . 88 . N . 88 . CA . 88 . C parsed_2nln 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 95 . C . 96 . N . 96 . CA . 96 . C parsed_2nln 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 96 . C . 97 . N . 97 . CA . 97 . C parsed_2nln 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -165 -105 . . 97 . C . 98 . N . 98 . CA . 98 . C parsed_2nln 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2nln 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2nln 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2nln 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2nln 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2nln 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2nln 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -35 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_2nln 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2nln 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2nln 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2nln 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2nln 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2nln 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2nln 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2nln 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2nln 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2nln 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2nln 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2nln 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2nln 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_2nln 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2nln 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2nln 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2nln 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2nln 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 32 . N . 32 . CA . 32 . C . 33 . N parsed_2nln 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 33 . N . 33 . CA . 33 . C . 34 . N parsed_2nln 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 34 . N . 34 . CA . 34 . C . 35 . N parsed_2nln 1
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_2nln 1
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_2nln 1
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2nln 1
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2nln 1
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2nln 1
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2nln 1
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_2nln 1
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2nln 1
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2nln 1
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_2nln 1
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2nln 1
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_2nln 1
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_2nln 1
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_2nln 1
97 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 59 . N . 59 . CA . 59 . C . 60 . N parsed_2nln 1
98 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2nln 1
99 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2nln 1
100 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 63 . N . 63 . CA . 63 . C . 64 . N parsed_2nln 1
101 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2nln 1
102 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2nln 1
103 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2nln 1
104 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_2nln 1
105 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2nln 1
106 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2nln 1
107 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2nln 1
108 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2nln 1
109 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2nln 1
110 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2nln 1
111 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2nln 1
112 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2nln 1
113 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 87 . N . 87 . CA . 87 . C . 88 . N parsed_2nln 1
114 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 88 . N . 88 . CA . 88 . C . 89 . N parsed_2nln 1
115 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 96 . N . 96 . CA . 96 . C . 97 . N parsed_2nln 1
116 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 97 . N . 97 . CA . 97 . C . 98 . N parsed_2nln 1
117 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 105 165 . . 98 . N . 98 . CA . 98 . C . 99 . N parsed_2nln 1
118 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2nln 1
119 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2nln 1
120 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2nln 1
121 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2nln 1
122 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2nln 1
123 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2nln 1
124 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65 -5 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_2nln 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 "CSI derived phi restraint:" 2 1 2 29 parsed_2nln 1
2 "CSI derived phi restraint:" 9 1 9 29 parsed_2nln 1
3 "CSI derived phi restraint:" 16 1 16 29 parsed_2nln 1
4 "CSI derived phi restraint:" 23 1 23 29 parsed_2nln 1
5 "CSI derived phi restraint:" 30 1 30 29 parsed_2nln 1
6 "CSI derived phi restraint:" 37 1 37 29 parsed_2nln 1
7 "CSI derived phi restraint:" 44 1 44 29 parsed_2nln 1
8 "CSI derived phi restraint:" 51 1 51 29 parsed_2nln 1
9 "CSI derived phi restraint:" 58 1 58 29 parsed_2nln 1
10 "CSI derived phi restraint:" 65 1 65 29 parsed_2nln 1
11 "CSI derived phi restraint:" 72 1 72 29 parsed_2nln 1
12 "CSI derived phi restraint:" 79 1 79 29 parsed_2nln 1
13 "CSI derived phi restraint:" 86 1 86 29 parsed_2nln 1
14 "CSI derived phi restraint:" 93 1 93 29 parsed_2nln 1
15 "CSI derived phi restraint:" 100 1 100 29 parsed_2nln 1
16 "CSI derived phi restraint:" 107 1 107 29 parsed_2nln 1
17 "CSI derived phi restraint:" 114 1 114 29 parsed_2nln 1
18 "CSI derived phi restraint:" 121 1 121 29 parsed_2nln 1
19 "CSI derived phi restraint:" 128 1 128 29 parsed_2nln 1
20 "CSI derived phi restraint:" 135 1 135 29 parsed_2nln 1
21 "CSI derived phi restraint:" 142 1 142 29 parsed_2nln 1
22 "CSI derived phi restraint:" 149 1 149 29 parsed_2nln 1
23 "CSI derived phi restraint:" 156 1 156 29 parsed_2nln 1
24 "CSI derived phi restraint:" 163 1 163 29 parsed_2nln 1
25 "CSI derived phi restraint:" 170 1 170 29 parsed_2nln 1
26 "CSI derived phi restraint:" 177 1 177 29 parsed_2nln 1
27 "CSI derived phi restraint:" 184 1 184 29 parsed_2nln 1
28 "CSI derived phi restraint:" 191 1 191 29 parsed_2nln 1
29 "CSI derived phi restraint:" 198 1 198 29 parsed_2nln 1
30 "CSI derived phi restraint:" 205 1 205 29 parsed_2nln 1
31 "CSI derived phi restraint:" 212 1 212 29 parsed_2nln 1
32 "CSI derived phi restraint:" 219 1 219 29 parsed_2nln 1
33 "CSI derived phi restraint:" 226 1 226 29 parsed_2nln 1
34 "CSI derived phi restraint:" 233 1 233 29 parsed_2nln 1
35 "CSI derived phi restraint:" 240 1 240 29 parsed_2nln 1
36 "CSI derived phi restraint:" 247 1 247 29 parsed_2nln 1
37 "CSI derived phi restraint:" 254 1 254 29 parsed_2nln 1
38 "CSI derived phi restraint:" 261 1 261 29 parsed_2nln 1
39 "CSI derived phi restraint:" 268 1 268 29 parsed_2nln 1
40 "CSI derived phi restraint:" 275 1 275 29 parsed_2nln 1
41 "CSI derived phi restraint:" 282 1 282 29 parsed_2nln 1
42 "CSI derived phi restraint:" 289 1 289 29 parsed_2nln 1
43 "CSI derived phi restraint:" 296 1 296 29 parsed_2nln 1
44 "CSI derived phi restraint:" 303 1 303 29 parsed_2nln 1
45 "CSI derived phi restraint:" 310 1 310 29 parsed_2nln 1
46 "CSI derived phi restraint:" 317 1 317 29 parsed_2nln 1
47 "CSI derived phi restraint:" 324 1 324 29 parsed_2nln 1
48 "CSI derived phi restraint:" 331 1 331 29 parsed_2nln 1
49 "CSI derived phi restraint:" 338 1 338 29 parsed_2nln 1
50 "CSI derived phi restraint:" 345 1 345 29 parsed_2nln 1
51 "CSI derived phi restraint:" 352 1 352 29 parsed_2nln 1
52 "CSI derived phi restraint:" 359 1 359 29 parsed_2nln 1
53 "CSI derived phi restraint:" 366 1 366 29 parsed_2nln 1
54 "CSI derived phi restraint:" 373 1 373 29 parsed_2nln 1
55 "CSI derived phi restraint:" 380 1 380 29 parsed_2nln 1
56 "CSI derived phi restraint:" 387 1 387 29 parsed_2nln 1
57 "CSI derived phi restraint:" 394 1 394 29 parsed_2nln 1
58 "CSI derived phi restraint:" 401 1 401 29 parsed_2nln 1
59 "CSI derived phi restraint:" 408 1 408 29 parsed_2nln 1
60 "CSI derived phi restraint:" 415 1 415 29 parsed_2nln 1
61 "CSI derived phi restraint:" 422 1 422 29 parsed_2nln 1
62 "CSI derived phi restraint:" 429 1 429 29 parsed_2nln 1
63 "CSI derived psi restraint:" 436 1 436 29 parsed_2nln 1
64 "CSI derived psi restraint:" 443 1 443 29 parsed_2nln 1
65 "CSI derived psi restraint:" 450 1 450 29 parsed_2nln 1
66 "CSI derived psi restraint:" 457 1 457 29 parsed_2nln 1
67 "CSI derived psi restraint:" 464 1 464 29 parsed_2nln 1
68 "CSI derived psi restraint:" 471 1 471 29 parsed_2nln 1
69 "CSI derived psi restraint:" 478 1 478 29 parsed_2nln 1
70 "CSI derived psi restraint:" 485 1 485 29 parsed_2nln 1
71 "CSI derived psi restraint:" 492 1 492 29 parsed_2nln 1
72 "CSI derived psi restraint:" 499 1 499 29 parsed_2nln 1
73 "CSI derived psi restraint:" 506 1 506 29 parsed_2nln 1
74 "CSI derived psi restraint:" 513 1 513 29 parsed_2nln 1
75 "CSI derived psi restraint:" 520 1 520 29 parsed_2nln 1
76 "CSI derived psi restraint:" 527 1 527 29 parsed_2nln 1
77 "CSI derived psi restraint:" 534 1 534 29 parsed_2nln 1
78 "CSI derived psi restraint:" 541 1 541 29 parsed_2nln 1
79 "CSI derived psi restraint:" 548 1 548 29 parsed_2nln 1
80 "CSI derived psi restraint:" 555 1 555 29 parsed_2nln 1
81 "CSI derived psi restraint:" 562 1 562 29 parsed_2nln 1
82 "CSI derived psi restraint:" 569 1 569 29 parsed_2nln 1
83 "CSI derived psi restraint:" 576 1 576 29 parsed_2nln 1
84 "CSI derived psi restraint:" 583 1 583 29 parsed_2nln 1
85 "CSI derived psi restraint:" 590 1 590 29 parsed_2nln 1
86 "CSI derived psi restraint:" 597 1 597 29 parsed_2nln 1
87 "CSI derived psi restraint:" 604 1 604 29 parsed_2nln 1
88 "CSI derived psi restraint:" 611 1 611 29 parsed_2nln 1
89 "CSI derived psi restraint:" 618 1 618 29 parsed_2nln 1
90 "CSI derived psi restraint:" 625 1 625 29 parsed_2nln 1
91 "CSI derived psi restraint:" 632 1 632 29 parsed_2nln 1
92 "CSI derived psi restraint:" 639 1 639 29 parsed_2nln 1
93 "CSI derived psi restraint:" 646 1 646 29 parsed_2nln 1
94 "CSI derived psi restraint:" 653 1 653 29 parsed_2nln 1
95 "CSI derived psi restraint:" 660 1 660 29 parsed_2nln 1
96 "CSI derived psi restraint:" 667 1 667 29 parsed_2nln 1
97 "CSI derived psi restraint:" 674 1 674 29 parsed_2nln 1
98 "CSI derived psi restraint:" 681 1 681 29 parsed_2nln 1
99 "CSI derived psi restraint:" 688 1 688 29 parsed_2nln 1
100 "CSI derived psi restraint:" 695 1 695 29 parsed_2nln 1
101 "CSI derived psi restraint:" 702 1 702 29 parsed_2nln 1
102 "CSI derived psi restraint:" 709 1 709 29 parsed_2nln 1
103 "CSI derived psi restraint:" 716 1 716 29 parsed_2nln 1
104 "CSI derived psi restraint:" 723 1 723 29 parsed_2nln 1
105 "CSI derived psi restraint:" 730 1 730 29 parsed_2nln 1
106 "CSI derived psi restraint:" 737 1 737 29 parsed_2nln 1
107 "CSI derived psi restraint:" 744 1 744 29 parsed_2nln 1
108 "CSI derived psi restraint:" 751 1 751 29 parsed_2nln 1
109 "CSI derived psi restraint:" 758 1 758 29 parsed_2nln 1
110 "CSI derived psi restraint:" 765 1 765 29 parsed_2nln 1
111 "CSI derived psi restraint:" 772 1 772 29 parsed_2nln 1
112 "CSI derived psi restraint:" 779 1 779 29 parsed_2nln 1
113 "CSI derived psi restraint:" 786 1 786 29 parsed_2nln 1
114 "CSI derived psi restraint:" 793 1 793 29 parsed_2nln 1
115 "CSI derived psi restraint:" 800 1 800 29 parsed_2nln 1
116 "CSI derived psi restraint:" 807 1 807 29 parsed_2nln 1
117 "CSI derived psi restraint:" 814 1 814 29 parsed_2nln 1
118 "CSI derived psi restraint:" 821 1 821 29 parsed_2nln 1
119 "CSI derived psi restraint:" 828 1 828 29 parsed_2nln 1
120 "CSI derived psi restraint:" 835 1 835 29 parsed_2nln 1
121 "CSI derived psi restraint:" 842 1 842 29 parsed_2nln 1
122 "CSI derived psi restraint:" 849 1 849 29 parsed_2nln 1
123 "CSI derived psi restraint:" 856 1 856 29 parsed_2nln 1
124 "CSI derived psi restraint:" 863 1 863 29 parsed_2nln 1
stop_
save_
save_MR_file_comment_9
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2nln
_Org_constr_file_comment.ID 3
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 9
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
phi and psi dihedral restraints generated by TALOS:
;
save_
save_CNS/XPLOR_dihedral_10
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nln
_Torsion_angle_constraint_list.ID 2
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 10
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -52 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2nln 2
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -55 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2nln 2
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -48 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2nln 2
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -44 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2nln 2
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2nln 2
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -54 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2nln 2
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -52 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2nln 2
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83 -51 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2nln 2
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -113 -49 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2nln 2
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -65 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2nln 2
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -161 -53 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_2nln 2
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -38 . . 24 . C . 25 . N . 25 . CA . 25 . C parsed_2nln 2
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109 -37 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_2nln 2
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -52 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_2nln 2
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -54 . . 29 . C . 30 . N . 30 . CA . 30 . C parsed_2nln 2
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95 -39 . . 30 . C . 31 . N . 31 . CA . 31 . C parsed_2nln 2
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_2nln 2
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82 -46 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_2nln 2
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -53 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_2nln 2
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -101 -61 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_2nln 2
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -52 . . 44 . C . 45 . N . 45 . CA . 45 . C parsed_2nln 2
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86 -50 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_2nln 2
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -53 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_2nln 2
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -122 -54 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_2nln 2
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107 -39 . . 60 . C . 61 . N . 61 . CA . 61 . C parsed_2nln 2
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77 -53 . . 61 . C . 62 . N . 62 . CA . 62 . C parsed_2nln 2
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -71 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_2nln 2
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 -51 . . 64 . C . 65 . N . 65 . CA . 65 . C parsed_2nln 2
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92 -48 . . 65 . C . 66 . N . 66 . CA . 66 . C parsed_2nln 2
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126 -50 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_2nln 2
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -57 . . 78 . C . 79 . N . 79 . CA . 79 . C parsed_2nln 2
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84 -48 . . 79 . C . 80 . N . 80 . CA . 80 . C parsed_2nln 2
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -58 . . 80 . C . 81 . N . 81 . CA . 81 . C parsed_2nln 2
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -115 -39 . . 81 . C . 82 . N . 82 . CA . 82 . C parsed_2nln 2
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 82 . C . 83 . N . 83 . CA . 83 . C parsed_2nln 2
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74 -54 . . 83 . C . 84 . N . 84 . CA . 84 . C parsed_2nln 2
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 -47 . . 84 . C . 85 . N . 85 . CA . 85 . C parsed_2nln 2
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97 -49 . . 85 . C . 86 . N . 86 . CA . 86 . C parsed_2nln 2
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132 -40 . . 90 . C . 91 . N . 91 . CA . 91 . C parsed_2nln 2
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134 -74 . . 91 . C . 92 . N . 92 . CA . 92 . C parsed_2nln 2
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -56 . . 98 . C . 99 . N . 99 . CA . 99 . C parsed_2nln 2
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73 -53 . . 99 . C . 100 . N . 100 . CA . 100 . C parsed_2nln 2
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72 -60 . . 100 . C . 101 . N . 101 . CA . 101 . C parsed_2nln 2
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -54 . . 101 . C . 102 . N . 102 . CA . 102 . C parsed_2nln 2
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78 -50 . . 102 . C . 103 . N . 103 . CA . 103 . C parsed_2nln 2
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -56 . . 103 . C . 104 . N . 104 . CA . 104 . C parsed_2nln 2
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91 -55 . . 104 . C . 105 . N . 105 . CA . 105 . C parsed_2nln 2
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93 -29 . . 106 . C . 107 . N . 107 . CA . 107 . C parsed_2nln 2
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -7 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2nln 2
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48 -36 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2nln 2
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56 -4 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2nln 2
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -16 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2nln 2
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49 -29 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2nln 2
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -28 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2nln 2
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -31 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2nln 2
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68 -8 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2nln 2
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 23 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2nln 2
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -5 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_2nln 2
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 146 186 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_2nln 2
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46 -18 . . 25 . N . 25 . CA . 25 . C . 26 . N parsed_2nln 2
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63 -3 . . 28 . N . 28 . CA . 28 . C . 29 . N parsed_2nln 2
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -24 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_2nln 2
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -7 . . 30 . N . 30 . CA . 30 . C . 31 . N parsed_2nln 2
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67 5 . . 31 . N . 31 . CA . 31 . C . 32 . N parsed_2nln 2
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -21 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_2nln 2
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -31 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_2nln 2
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55 -27 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_2nln 2
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 22 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_2nln 2
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58 -6 . . 45 . N . 45 . CA . 45 . C . 46 . N parsed_2nln 2
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -18 . . 46 . N . 46 . CA . 46 . C . 47 . N parsed_2nln 2
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -14 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_2nln 2
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42 42 . . 52 . N . 52 . CA . 52 . C . 53 . N parsed_2nln 2
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -66 18 . . 61 . N . 61 . CA . 61 . C . 62 . N parsed_2nln 2
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -31 . . 62 . N . 62 . CA . 62 . C . 63 . N parsed_2nln 2
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69 35 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_2nln 2
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62 -14 . . 65 . N . 65 . CA . 65 . C . 66 . N parsed_2nln 2
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -26 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_2nln 2
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47 13 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_2nln 2
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -24 . . 79 . N . 79 . CA . 79 . C . 80 . N parsed_2nln 2
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -16 . . 80 . N . 80 . CA . 80 . C . 81 . N parsed_2nln 2
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -21 . . 81 . N . 81 . CA . 81 . C . 82 . N parsed_2nln 2
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87 29 . . 82 . N . 82 . CA . 82 . C . 83 . N parsed_2nln 2
83 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52 -16 . . 83 . N . 83 . CA . 83 . C . 84 . N parsed_2nln 2
84 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -30 . . 84 . N . 84 . CA . 84 . C . 85 . N parsed_2nln 2
85 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -5 . . 85 . N . 85 . CA . 85 . C . 86 . N parsed_2nln 2
86 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64 -4 . . 86 . N . 86 . CA . 86 . C . 87 . N parsed_2nln 2
87 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 15 . . 91 . N . 91 . CA . 91 . C . 92 . N parsed_2nln 2
88 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -16 24 . . 92 . N . 92 . CA . 92 . C . 93 . N parsed_2nln 2
89 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46 -34 . . 99 . N . 99 . CA . 99 . C . 100 . N parsed_2nln 2
90 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -29 . . 100 . N . 100 . CA . 100 . C . 101 . N parsed_2nln 2
91 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54 -30 . . 101 . N . 101 . CA . 101 . C . 102 . N parsed_2nln 2
92 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61 -13 . . 102 . N . 102 . CA . 102 . C . 103 . N parsed_2nln 2
93 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53 -29 . . 103 . N . 103 . CA . 103 . C . 104 . N parsed_2nln 2
94 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59 -23 . . 104 . N . 104 . CA . 104 . C . 105 . N parsed_2nln 2
95 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 10 . . 105 . N . 105 . CA . 105 . C . 106 . N parsed_2nln 2
96 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75 1 . . 107 . N . 107 . CA . 107 . C . 108 . N parsed_2nln 2
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 "Talos derived phi restraint:" 2 1 2 31 parsed_2nln 2
2 "Talos derived phi restraint:" 9 1 9 31 parsed_2nln 2
3 "Talos derived phi restraint:" 16 1 16 31 parsed_2nln 2
4 "Talos derived phi restraint:" 23 1 23 31 parsed_2nln 2
5 "Talos derived phi restraint:" 30 1 30 31 parsed_2nln 2
6 "Talos derived phi restraint:" 37 1 37 31 parsed_2nln 2
7 "Talos derived phi restraint:" 44 1 44 31 parsed_2nln 2
8 "Talos derived phi restraint:" 51 1 51 31 parsed_2nln 2
9 "Talos derived phi restraint:" 58 1 58 31 parsed_2nln 2
10 "Talos derived phi restraint:" 65 1 65 31 parsed_2nln 2
11 "Talos derived phi restraint:" 72 1 72 31 parsed_2nln 2
12 "Talos derived phi restraint:" 79 1 79 31 parsed_2nln 2
13 "Talos derived phi restraint:" 86 1 86 31 parsed_2nln 2
14 "Talos derived phi restraint:" 93 1 93 31 parsed_2nln 2
15 "Talos derived phi restraint:" 100 1 100 31 parsed_2nln 2
16 "Talos derived phi restraint:" 107 1 107 31 parsed_2nln 2
17 "Talos derived phi restraint:" 114 1 114 31 parsed_2nln 2
18 "Talos derived phi restraint:" 121 1 121 31 parsed_2nln 2
19 "Talos derived phi restraint:" 128 1 128 31 parsed_2nln 2
20 "Talos derived phi restraint:" 135 1 135 31 parsed_2nln 2
21 "Talos derived phi restraint:" 142 1 142 31 parsed_2nln 2
22 "Talos derived phi restraint:" 149 1 149 31 parsed_2nln 2
23 "Talos derived phi restraint:" 156 1 156 31 parsed_2nln 2
24 "Talos derived phi restraint:" 163 1 163 31 parsed_2nln 2
25 "Talos derived phi restraint:" 170 1 170 31 parsed_2nln 2
26 "Talos derived phi restraint:" 177 1 177 31 parsed_2nln 2
27 "Talos derived phi restraint:" 184 1 184 31 parsed_2nln 2
28 "Talos derived phi restraint:" 191 1 191 31 parsed_2nln 2
29 "Talos derived phi restraint:" 198 1 198 31 parsed_2nln 2
30 "Talos derived phi restraint:" 205 1 205 31 parsed_2nln 2
31 "Talos derived phi restraint:" 212 1 212 31 parsed_2nln 2
32 "Talos derived phi restraint:" 219 1 219 31 parsed_2nln 2
33 "Talos derived phi restraint:" 226 1 226 31 parsed_2nln 2
34 "Talos derived phi restraint:" 233 1 233 31 parsed_2nln 2
35 "Talos derived phi restraint:" 240 1 240 31 parsed_2nln 2
36 "Talos derived phi restraint:" 247 1 247 31 parsed_2nln 2
37 "Talos derived phi restraint:" 254 1 254 31 parsed_2nln 2
38 "Talos derived phi restraint:" 261 1 261 31 parsed_2nln 2
39 "Talos derived phi restraint:" 268 1 268 31 parsed_2nln 2
40 "Talos derived phi restraint:" 275 1 275 31 parsed_2nln 2
41 "Talos derived phi restraint:" 282 1 282 31 parsed_2nln 2
42 "Talos derived phi restraint:" 289 1 289 31 parsed_2nln 2
43 "Talos derived phi restraint:" 296 1 296 31 parsed_2nln 2
44 "Talos derived phi restraint:" 303 1 303 31 parsed_2nln 2
45 "Talos derived phi restraint:" 310 1 310 31 parsed_2nln 2
46 "Talos derived phi restraint:" 317 1 317 31 parsed_2nln 2
47 "Talos derived phi restraint:" 324 1 324 31 parsed_2nln 2
48 "Talos derived phi restraint:" 331 1 331 31 parsed_2nln 2
49 "Talos derived psi restraint:" 338 1 338 31 parsed_2nln 2
50 "Talos derived psi restraint:" 345 1 345 31 parsed_2nln 2
51 "Talos derived psi restraint:" 352 1 352 31 parsed_2nln 2
52 "Talos derived psi restraint:" 359 1 359 31 parsed_2nln 2
53 "Talos derived psi restraint:" 366 1 366 31 parsed_2nln 2
54 "Talos derived psi restraint:" 373 1 373 31 parsed_2nln 2
55 "Talos derived psi restraint:" 380 1 380 31 parsed_2nln 2
56 "Talos derived psi restraint:" 387 1 387 31 parsed_2nln 2
57 "Talos derived psi restraint:" 394 1 394 31 parsed_2nln 2
58 "Talos derived psi restraint:" 401 1 401 31 parsed_2nln 2
59 "Talos derived psi restraint:" 408 1 408 31 parsed_2nln 2
60 "Talos derived psi restraint:" 415 1 415 31 parsed_2nln 2
61 "Talos derived psi restraint:" 422 1 422 31 parsed_2nln 2
62 "Talos derived psi restraint:" 429 1 429 31 parsed_2nln 2
63 "Talos derived psi restraint:" 436 1 436 31 parsed_2nln 2
64 "Talos derived psi restraint:" 443 1 443 31 parsed_2nln 2
65 "Talos derived psi restraint:" 450 1 450 31 parsed_2nln 2
66 "Talos derived psi restraint:" 457 1 457 31 parsed_2nln 2
67 "Talos derived psi restraint:" 464 1 464 31 parsed_2nln 2
68 "Talos derived psi restraint:" 471 1 471 31 parsed_2nln 2
69 "Talos derived psi restraint:" 478 1 478 31 parsed_2nln 2
70 "Talos derived psi restraint:" 485 1 485 31 parsed_2nln 2
71 "Talos derived psi restraint:" 492 1 492 31 parsed_2nln 2
72 "Talos derived psi restraint:" 499 1 499 31 parsed_2nln 2
73 "Talos derived psi restraint:" 506 1 506 31 parsed_2nln 2
74 "Talos derived psi restraint:" 513 1 513 31 parsed_2nln 2
75 "Talos derived psi restraint:" 520 1 520 31 parsed_2nln 2
76 "Talos derived psi restraint:" 527 1 527 31 parsed_2nln 2
77 "Talos derived psi restraint:" 534 1 534 31 parsed_2nln 2
78 "Talos derived psi restraint:" 541 1 541 31 parsed_2nln 2
79 "Talos derived psi restraint:" 548 1 548 31 parsed_2nln 2
80 "Talos derived psi restraint:" 555 1 555 31 parsed_2nln 2
81 "Talos derived psi restraint:" 562 1 562 31 parsed_2nln 2
82 "Talos derived psi restraint:" 569 1 569 31 parsed_2nln 2
83 "Talos derived psi restraint:" 576 1 576 31 parsed_2nln 2
84 "Talos derived psi restraint:" 583 1 583 31 parsed_2nln 2
85 "Talos derived psi restraint:" 590 1 590 31 parsed_2nln 2
86 "Talos derived psi restraint:" 597 1 597 31 parsed_2nln 2
87 "Talos derived psi restraint:" 604 1 604 31 parsed_2nln 2
88 "Talos derived psi restraint:" 611 1 611 31 parsed_2nln 2
89 "Talos derived psi restraint:" 618 1 618 31 parsed_2nln 2
90 "Talos derived psi restraint:" 625 1 625 31 parsed_2nln 2
91 "Talos derived psi restraint:" 632 1 632 31 parsed_2nln 2
92 "Talos derived psi restraint:" 639 1 639 31 parsed_2nln 2
93 "Talos derived psi restraint:" 646 1 646 31 parsed_2nln 2
94 "Talos derived psi restraint:" 653 1 653 31 parsed_2nln 2
95 "Talos derived psi restraint:" 660 1 660 31 parsed_2nln 2
96 "Talos derived psi restraint:" 667 1 667 31 parsed_2nln 2
stop_
save_
save_MR_file_comment_11
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2nln
_Org_constr_file_comment.ID 4
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 11
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
N-H coupling constant data (CNS format)
;
save_
save_MR_file_comment_13
_Org_constr_file_comment.Sf_category org_constr_file_comment
_Org_constr_file_comment.Entry_ID parsed_2nln
_Org_constr_file_comment.ID 5
_Org_constr_file_comment.Constraint_file_ID 1
_Org_constr_file_comment.Block_ID 13
_Org_constr_file_comment.Details "Generated by Wattos"
_Org_constr_file_comment.Comment
;
N-H residual dipolar coupling data (SANI)
;
save_
save_CNS/XPLOR_dipolar_coupling_14
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2nln
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 14
_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 . . . . . . . . . . . . . . . . 2.97800 . . . . . 2 . N . 2 . HN parsed_2nln 1
2 . . . . . . . . . . . . . . . . 2.61320 . . . . . 3 . N . 3 . HN parsed_2nln 1
3 . . . . . . . . . . . . . . . . -6.98878 . . . . . 4 . N . 4 . HN parsed_2nln 1
4 . . . . . . . . . . . . . . . . 0.911580 . . . . . 6 . N . 6 . HN parsed_2nln 1
5 . . . . . . . . . . . . . . . . -0.486180 . . . . . 7 . N . 7 . HN parsed_2nln 1
6 . . . . . . . . . . . . . . . . 5.83411 . . . . . 8 . N . 8 . HN parsed_2nln 1
7 . . . . . . . . . . . . . . . . 9.11580 . . . . . 9 . N . 9 . HN parsed_2nln 1
8 . . . . . . . . . . . . . . . . 9.72352 . . . . . 10 . N . 10 . HN parsed_2nln 1
9 . . . . . . . . . . . . . . . . 10.3312 . . . . . 11 . N . 11 . HN parsed_2nln 1
10 . . . . . . . . . . . . . . . . 7.47496 . . . . . 12 . N . 12 . HN parsed_2nln 1
11 . . . . . . . . . . . . . . . . 10.5743 . . . . . 13 . N . 13 . HN parsed_2nln 1
12 . . . . . . . . . . . . . . . . 9.05503 . . . . . 14 . N . 14 . HN parsed_2nln 1
13 . . . . . . . . . . . . . . . . 3.52478 . . . . . 15 . N . 15 . HN parsed_2nln 1
14 . . . . . . . . . . . . . . . . 7.47496 . . . . . 16 . N . 16 . HN parsed_2nln 1
15 . . . . . . . . . . . . . . . . 5.16562 . . . . . 17 . N . 17 . HN parsed_2nln 1
16 . . . . . . . . . . . . . . . . 5.10485 . . . . . 18 . N . 18 . HN parsed_2nln 1
17 . . . . . . . . . . . . . . . . -4.07172 . . . . . 19 . N . 19 . HN parsed_2nln 1
18 . . . . . . . . . . . . . . . . 1.58007 . . . . . 20 . N . 20 . HN parsed_2nln 1
19 . . . . . . . . . . . . . . . . -0.486180 . . . . . 23 . N . 23 . HN parsed_2nln 1
20 . . . . . . . . . . . . . . . . 4.31481 . . . . . 24 . N . 24 . HN parsed_2nln 1
21 . . . . . . . . . . . . . . . . -8.14345 . . . . . 25 . N . 25 . HN parsed_2nln 1
22 . . . . . . . . . . . . . . . . 3.58555 . . . . . 27 . N . 27 . HN parsed_2nln 1
23 . . . . . . . . . . . . . . . . 4.86176 . . . . . 28 . N . 28 . HN parsed_2nln 1
24 . . . . . . . . . . . . . . . . -3.16014 . . . . . 29 . N . 29 . HN parsed_2nln 1
25 . . . . . . . . . . . . . . . . -2.49165 . . . . . 30 . N . 30 . HN parsed_2nln 1
26 . . . . . . . . . . . . . . . . 0.790040 . . . . . 31 . N . 31 . HN parsed_2nln 1
27 . . . . . . . . . . . . . . . . 4.74022 . . . . . 32 . N . 32 . HN parsed_2nln 1
28 . . . . . . . . . . . . . . . . -6.25952 . . . . . 33 . N . 33 . HN parsed_2nln 1
29 . . . . . . . . . . . . . . . . 6.74569 . . . . . 34 . N . 34 . HN parsed_2nln 1
30 . . . . . . . . . . . . . . . . 9.35889 . . . . . 35 . N . 35 . HN parsed_2nln 1
31 . . . . . . . . . . . . . . . . 3.16014 . . . . . 36 . N . 36 . HN parsed_2nln 1
32 . . . . . . . . . . . . . . . . -0.243090 . . . . . 37 . N . 37 . HN parsed_2nln 1
33 . . . . . . . . . . . . . . . . 9.35889 . . . . . 38 . N . 38 . HN parsed_2nln 1
34 . . . . . . . . . . . . . . . . -4.43636 . . . . . 39 . N . 39 . HN parsed_2nln 1
35 . . . . . . . . . . . . . . . . 6.25952 . . . . . 40 . N . 40 . HN parsed_2nln 1
36 . . . . . . . . . . . . . . . . 4.19327 . . . . . 41 . N . 41 . HN parsed_2nln 1
37 . . . . . . . . . . . . . . . . 5.34794 . . . . . 43 . N . 43 . HN parsed_2nln 1
38 . . . . . . . . . . . . . . . . 8.08268 . . . . . 44 . N . 44 . HN parsed_2nln 1
39 . . . . . . . . . . . . . . . . 4.74022 . . . . . 46 . N . 46 . HN parsed_2nln 1
40 . . . . . . . . . . . . . . . . 5.28716 . . . . . 47 . N . 47 . HN parsed_2nln 1
41 . . . . . . . . . . . . . . . . 7.17110 . . . . . 48 . N . 48 . HN parsed_2nln 1
42 . . . . . . . . . . . . . . . . 1.27621 . . . . . 50 . N . 50 . HN parsed_2nln 1
43 . . . . . . . . . . . . . . . . 8.81194 . . . . . 51 . N . 51 . HN parsed_2nln 1
44 . . . . . . . . . . . . . . . . 4.19327 . . . . . 52 . N . 52 . HN parsed_2nln 1
45 . . . . . . . . . . . . . . . . -5.89488 . . . . . 54 . N . 54 . HN parsed_2nln 1
46 . . . . . . . . . . . . . . . . -2.85628 . . . . . 55 . N . 55 . HN parsed_2nln 1
47 . . . . . . . . . . . . . . . . 2.12702 . . . . . 57 . N . 57 . HN parsed_2nln 1
48 . . . . . . . . . . . . . . . . 1.51930 . . . . . 58 . N . 58 . HN parsed_2nln 1
49 . . . . . . . . . . . . . . . . -2.73474 . . . . . 59 . N . 59 . HN parsed_2nln 1
50 . . . . . . . . . . . . . . . . -11.1820 . . . . . 60 . N . 60 . HN parsed_2nln 1
51 . . . . . . . . . . . . . . . . -5.89488 . . . . . 61 . N . 61 . HN parsed_2nln 1
52 . . . . . . . . . . . . . . . . -9.23734 . . . . . 62 . N . 62 . HN parsed_2nln 1
53 . . . . . . . . . . . . . . . . -12.5190 . . . . . 63 . N . 63 . HN parsed_2nln 1
54 . . . . . . . . . . . . . . . . -10.5743 . . . . . 64 . N . 64 . HN parsed_2nln 1
55 . . . . . . . . . . . . . . . . 8.93348 . . . . . 67 . N . 67 . HN parsed_2nln 1
56 . . . . . . . . . . . . . . . . -6.92801 . . . . . 68 . N . 68 . HN parsed_2nln 1
57 . . . . . . . . . . . . . . . . -0.729260 . . . . . 69 . N . 69 . HN parsed_2nln 1
58 . . . . . . . . . . . . . . . . 8.50808 . . . . . 70 . N . 70 . HN parsed_2nln 1
59 . . . . . . . . . . . . . . . . -2.85628 . . . . . 71 . N . 71 . HN parsed_2nln 1
60 . . . . . . . . . . . . . . . . 7.77882 . . . . . 72 . N . 72 . HN parsed_2nln 1
61 . . . . . . . . . . . . . . . . 1.88393 . . . . . 73 . N . 73 . HN parsed_2nln 1
62 . . . . . . . . . . . . . . . . 7.71804 . . . . . 74 . N . 74 . HN parsed_2nln 1
63 . . . . . . . . . . . . . . . . 5.34794 . . . . . 76 . N . 76 . HN parsed_2nln 1
64 . . . . . . . . . . . . . . . . 2.37011 . . . . . 77 . N . 77 . HN parsed_2nln 1
65 . . . . . . . . . . . . . . . . 0.243090 . . . . . 78 . N . 78 . HN parsed_2nln 1
66 . . . . . . . . . . . . . . . . 7.90036 . . . . . 79 . N . 79 . HN parsed_2nln 1
67 . . . . . . . . . . . . . . . . -1.39776 . . . . . 80 . N . 80 . HN parsed_2nln 1
68 . . . . . . . . . . . . . . . . 1.03312 . . . . . 81 . N . 81 . HN parsed_2nln 1
69 . . . . . . . . . . . . . . . . 8.08268 . . . . . 82 . N . 82 . HN parsed_2nln 1
70 . . . . . . . . . . . . . . . . 4.92253 . . . . . 83 . N . 83 . HN parsed_2nln 1
71 . . . . . . . . . . . . . . . . 0.425400 . . . . . 84 . N . 84 . HN parsed_2nln 1
72 . . . . . . . . . . . . . . . . 3.58555 . . . . . 85 . N . 85 . HN parsed_2nln 1
73 . . . . . . . . . . . . . . . . 4.80099 . . . . . 86 . N . 86 . HN parsed_2nln 1
74 . . . . . . . . . . . . . . . . -3.76786 . . . . . 87 . N . 87 . HN parsed_2nln 1
75 . . . . . . . . . . . . . . . . -2.85628 . . . . . 88 . N . 88 . HN parsed_2nln 1
76 . . . . . . . . . . . . . . . . 8.20422 . . . . . 89 . N . 89 . HN parsed_2nln 1
77 . . . . . . . . . . . . . . . . 2.85628 . . . . . 90 . N . 90 . HN parsed_2nln 1
78 . . . . . . . . . . . . . . . . 1.58007 . . . . . 91 . N . 91 . HN parsed_2nln 1
79 . . . . . . . . . . . . . . . . 0.486180 . . . . . 92 . N . 92 . HN parsed_2nln 1
80 . . . . . . . . . . . . . . . . -5.28716 . . . . . 93 . N . 93 . HN parsed_2nln 1
81 . . . . . . . . . . . . . . . . 3.52478 . . . . . 94 . N . 94 . HN parsed_2nln 1
82 . . . . . . . . . . . . . . . . 3.46400 . . . . . 95 . N . 95 . HN parsed_2nln 1
83 . . . . . . . . . . . . . . . . -4.98330 . . . . . 96 . N . 96 . HN parsed_2nln 1
84 . . . . . . . . . . . . . . . . 0.243090 . . . . . 97 . N . 97 . HN parsed_2nln 1
85 . . . . . . . . . . . . . . . . -3.88941 . . . . . 98 . N . 98 . HN parsed_2nln 1
86 . . . . . . . . . . . . . . . . -6.077000E-02 . . . . . 99 . N . 99 . HN parsed_2nln 1
87 . . . . . . . . . . . . . . . . -5.22639 . . . . . 100 . N . 100 . HN parsed_2nln 1
88 . . . . . . . . . . . . . . . . -2.00548 . . . . . 101 . N . 101 . HN parsed_2nln 1
89 . . . . . . . . . . . . . . . . 1.03312 . . . . . 102 . N . 102 . HN parsed_2nln 1
90 . . . . . . . . . . . . . . . . -4.61867 . . . . . 103 . N . 103 . HN parsed_2nln 1
91 . . . . . . . . . . . . . . . . -5.46948 . . . . . 104 . N . 104 . HN parsed_2nln 1
92 . . . . . . . . . . . . . . . . 0.911580 . . . . . 105 . N . 105 . HN parsed_2nln 1
93 . . . . . . . . . . . . . . . . 2.24856 . . . . . 106 . N . 106 . HN parsed_2nln 1
94 . . . . . . . . . . . . . . . . -9.23734 . . . . . 107 . N . 107 . HN parsed_2nln 1
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