NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
|
|
604449 |
2na9   |
25932 | cing | 2-parsed | STAR | entry | full | 120 |
data_2na9_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2na9
_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_2na9 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2na9
_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 2na9 "Master copy" parsed_2na9
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2na9
_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 2na9.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2na9 1
1 2na9.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 82 parsed_2na9 1
1 2na9.mr . . DYANA/DIANA 3 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2na9 1
1 2na9.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 2 parsed_2na9 1
1 2na9.mr . . XPLOR/CNS 5 distance NOE simple 36 parsed_2na9 1
1 2na9.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2na9 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_2na9
_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 SIGNALING PROTEIN 21-DEC-15 2NA9
*TITLE TRANSMEMBRANE STRUCTURE OF THE P441A MUTANT OF THE CYTOKINE RECEPTOR
*TITLE 2 COMMON SUBUNIT BETA
*COMPND MOL_ID: 1;
*COMPND 2 MOLECULE: CYTOKINE RECEPTOR COMMON SUBUNIT BETA;
*COMPND 3 CHAIN: A;
*COMPND 4 FRAGMENT: HELICAL TRANSMEMBRANE RESIDUES 432-473;
*COMPND 5 SYNONYM: CDW131, GM-CSF/IL-3/IL-5 RECEPTOR COMMON BETA SUBUNIT;
*COMPND 6 ENGINEERED: YES
*SOURCE MOL_ID: 1;
*SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE 3 ORGANISM_COMMON: HUMAN;
*SOURCE 4 ORGANISM_TAXID: 9606;
*SOURCE 5 GENE: CSF2RB, IL3RB, IL5RB;
*SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562;
*SOURCE 8 EXPRESSION_SYSTEM_VECTOR: PET44-GB3-BC(P441A)
*KEYWDS TRANSMEMBRANE HELIX, NBP RESIDUE, SIGNALING PROTEIN
*EXPDTA SOLUTION NMR
*NUMMDL 21
*AUTHOR T.SCHMIDT, F.YE, A.J.SITU, W.AN, M.H.GINSBERG, T.S.ULMER
*REVDAT 1 06-JUL-16 2NA9 0
;
save_
save_CNS/XPLOR_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2na9
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -68.0 -48.0 . . 6 . c . 7 . n . 7 . ca . 7 . c parsed_2na9 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -19.0 . . 7 . n . 7 . ca . 7 . c . 8 . n parsed_2na9 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -51.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_2na9 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -31.0 . . 8 . n . 8 . ca . 8 . c . 9 . n parsed_2na9 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -54.0 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_2na9 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 -28.0 . . 9 . n . 9 . ca . 9 . c . 10 . n parsed_2na9 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.2 -56.2 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_2na9 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.1 -33.5 . . 10 . n . 10 . ca . 10 . c . 11 . n parsed_2na9 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.0 -56.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_2na9 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.0 -33.0 . . 11 . n . 11 . ca . 11 . c . 12 . n parsed_2na9 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -50.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_2na9 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -31.0 . . 12 . n . 12 . ca . 12 . c . 13 . n parsed_2na9 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.7 -53.9 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_2na9 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.4 -30.8 . . 13 . n . 13 . ca . 13 . c . 14 . n parsed_2na9 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 -55.7 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_2na9 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.5 -29.3 . . 14 . n . 14 . ca . 14 . c . 15 . n parsed_2na9 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -58.2 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_2na9 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.8 -31.0 . . 15 . n . 15 . ca . 15 . c . 16 . n parsed_2na9 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.7 -46.1 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_2na9 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.9 -40.3 . . 16 . n . 16 . ca . 16 . c . 17 . n parsed_2na9 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.7 -50.5 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_2na9 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.1 -31.7 . . 17 . n . 17 . ca . 17 . c . 18 . n parsed_2na9 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.9 -54.7 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_2na9 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.5 -29.5 . . 18 . n . 18 . ca . 18 . c . 19 . n parsed_2na9 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -54.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_2na9 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.1 -35.7 . . 19 . n . 19 . ca . 19 . c . 20 . n parsed_2na9 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.8 -54.4 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_2na9 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.2 -25.2 . . 20 . n . 20 . ca . 20 . c . 21 . n parsed_2na9 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.4 -54.4 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_2na9 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.1 -34.7 . . 21 . n . 21 . ca . 21 . c . 22 . n parsed_2na9 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.4 -49.2 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_2na9 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -47.7 -37.9 . . 22 . n . 22 . ca . 22 . c . 23 . n parsed_2na9 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.2 -52.4 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_2na9 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.3 -28.1 . . 23 . n . 23 . ca . 23 . c . 24 . n parsed_2na9 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.9 -51.5 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_2na9 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.6 -36.4 . . 24 . n . 24 . ca . 24 . c . 25 . n parsed_2na9 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.2 -57.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_2na9 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.6 -22.6 . . 25 . n . 25 . ca . 25 . c . 26 . n parsed_2na9 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -49.5 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_2na9 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.7 -33.1 . . 26 . n . 26 . ca . 26 . c . 27 . n parsed_2na9 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.5 -53.3 . . 26 . c . 27 . n . 27 . ca . 27 . c parsed_2na9 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.5 -36.9 . . 27 . n . 27 . ca . 27 . c . 28 . n parsed_2na9 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.5 -50.7 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_2na9 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.6 -34.8 . . 28 . n . 28 . ca . 28 . c . 29 . n parsed_2na9 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.7 -54.1 . . 28 . c . 29 . n . 29 . ca . 29 . c parsed_2na9 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.4 -29.4 . . 29 . n . 29 . ca . 29 . c . 30 . n parsed_2na9 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.3 -57.5 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_2na9 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.8 -32.0 . . 30 . n . 30 . ca . 30 . c . 31 . n parsed_2na9 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -69.9 -53.5 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_2na9 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.4 -29.2 . . 31 . n . 31 . ca . 31 . c . 32 . n parsed_2na9 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.8 -54.4 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_2na9 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.7 -25.7 . . 32 . n . 32 . ca . 32 . c . 33 . n parsed_2na9 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.6 -53.8 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_2na9 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -27.6 . . 33 . n . 33 . ca . 33 . c . 34 . n parsed_2na9 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.3 -53.9 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_2na9 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.2 -6.2 . . 34 . n . 34 . ca . 34 . c . 35 . n parsed_2na9 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -98.1 -45.9 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_2na9 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.6 8.8 . . 35 . n . 35 . ca . 35 . c . 36 . n parsed_2na9 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -52.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_2na9 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.0 -3.0 . . 36 . n . 36 . ca . 36 . c . 37 . n parsed_2na9 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -108.0 -72.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_2na9 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -17.0 15.0 . . 37 . n . 37 . ca . 37 . c . 38 . n parsed_2na9 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45.0 109.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_2na9 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -5.0 51.0 . . 38 . n . 38 . ca . 38 . c . 39 . n parsed_2na9 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 5 . N . 5 . CA . 5 . CB . 5 . CG parsed_2na9 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 7 . N . 7 . CA . 7 . CB . 7 . CG parsed_2na9 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30.000 90.000 . . 14 . N . 14 . CA . 14 . CB . 14 . CG parsed_2na9 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 29 . N . 29 . CA . 29 . CB . 29 . CG parsed_2na9 1
69 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 33 . N . 33 . CA . 33 . CB . 33 . CG parsed_2na9 1
70 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 41 . N . 41 . CA . 41 . CB . 41 . CG parsed_2na9 1
71 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 13 . N . 13 . CA . 13 . CB . 13 . CG parsed_2na9 1
72 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2na9 1
73 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 23 . N . 23 . CA . 23 . CB . 23 . CG parsed_2na9 1
74 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.000 0.000 . . 28 . N . 28 . CA . 28 . CB . 28 . CG parsed_2na9 1
75 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.000 120.000 . . 31 . N . 31 . CA . 31 . CB . 31 . CG parsed_2na9 1
76 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.000 240.000 . . 36 . N . 36 . CA . 36 . CB . 36 . CG1 parsed_2na9 1
77 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.000 -90.000 . . 14 . CA . 14 . CB . 14 . CG . 14 . CD1 parsed_2na9 1
78 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 22 . N . 22 . CA . 22 . CB . 22 . CG parsed_2na9 1
79 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.000 120.000 . . 22 . CA . 22 . CB . 22 . CG . 22 . CD1 parsed_2na9 1
80 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 60.000 120.000 . . 33 . CA . 33 . CB . 33 . CG . 33 . CD1 parsed_2na9 1
81 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.000 210.000 . . 32 . N . 32 . CA . 32 . CB . 32 . CG parsed_2na9 1
82 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.000 -30.000 . . 32 . CA . 32 . CB . 32 . CG . 32 . CD parsed_2na9 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 "Talos+, 2 sdtdev" 1 1 1 19 parsed_2na9 1
2
;
---------- chi1 experimental ---------
aromatic
;
164 1 166 11 parsed_2na9 1
3 aliphatic 198 1 198 12 parsed_2na9 1
4
;
---------- chi1 empirical ---------
W14 snorkel
;
231 1 233 13 parsed_2na9 1
5 Phe22 239 1 239 7 parsed_2na9 1
6 Phe33 250 1 250 7 parsed_2na9 1
7 "Arg 32, snorkel" 257 1 257 17 parsed_2na9 1
8 "Chi2 is adjusted to snorkel" 267 62 267 91 parsed_2na9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2na9
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_2na9 1
2 1 . . . parsed_2na9 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 . . . . . . . . . 34 . HG parsed_2na9 1
1 1 2 . . . . . . . . . 30 . O parsed_2na9 1
2 1 1 . . . . . . . . . 24 . HG1 parsed_2na9 1
2 1 2 . . . . . . . . . 20 . O parsed_2na9 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 . . . . . 1.8 1.6 2.6 parsed_2na9 1
2 1 . . . . . 1.8 1.6 2.6 parsed_2na9 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 "Hydrogen bonds" 1 1 1 17 parsed_2na9 1
2 "i - i-4 implement Cys H-bond" 3 77 3 108 parsed_2na9 1
3 "i - i-4 implement Thr H-bond" 4 77 4 108 parsed_2na9 1
stop_
save_
save_CNS/XPLOR_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2na9
_Distance_constraint_list.ID 2
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2na9 2
2 1 . . . parsed_2na9 2
3 1 . . . parsed_2na9 2
4 1 . . . parsed_2na9 2
5 1 . . . parsed_2na9 2
6 1 . . . parsed_2na9 2
7 1 . . . parsed_2na9 2
8 1 . . . parsed_2na9 2
9 1 . . . parsed_2na9 2
10 1 . . . parsed_2na9 2
11 1 . . . parsed_2na9 2
12 1 . . . parsed_2na9 2
13 1 . . . parsed_2na9 2
14 1 . . . parsed_2na9 2
15 1 . . . parsed_2na9 2
16 1 . . . parsed_2na9 2
17 1 . . . parsed_2na9 2
18 1 . . . parsed_2na9 2
19 1 . . . parsed_2na9 2
20 1 . . . parsed_2na9 2
21 1 . . . parsed_2na9 2
22 1 . . . parsed_2na9 2
23 1 . . . parsed_2na9 2
24 1 . . . parsed_2na9 2
25 1 . . . parsed_2na9 2
26 1 . . . parsed_2na9 2
27 1 . . . parsed_2na9 2
28 1 . . . parsed_2na9 2
29 1 . . . parsed_2na9 2
30 1 . . . parsed_2na9 2
31 1 . . . parsed_2na9 2
32 1 . . . parsed_2na9 2
33 1 . . . parsed_2na9 2
34 1 . . . parsed_2na9 2
35 1 . . . parsed_2na9 2
36 1 . . . parsed_2na9 2
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 . . . . . . . . . 16 . HN parsed_2na9 2
1 1 2 . . . . . . . . . 19 . HN parsed_2na9 2
2 1 1 . . . . . . . . . 16 . HN parsed_2na9 2
2 1 2 . . . . . . . . . 17 . HN parsed_2na9 2
3 1 1 . . . . . . . . . 16 . HN parsed_2na9 2
3 1 2 . . . . . . . . . 18 . HN parsed_2na9 2
4 1 1 . . . . . . . . . 18 . HN parsed_2na9 2
4 1 2 . . . . . . . . . 21 . HN parsed_2na9 2
5 1 1 . . . . . . . . . 18 . HN parsed_2na9 2
5 1 2 . . . . . . . . . 19 . HN parsed_2na9 2
6 1 1 . . . . . . . . . 18 . HN parsed_2na9 2
6 1 2 . . . . . . . . . 17 . HN parsed_2na9 2
7 1 1 . . . . . . . . . 19 . HN parsed_2na9 2
7 1 2 . . . . . . . . . 17 . HN parsed_2na9 2
8 1 1 . . . . . . . . . 19 . HN parsed_2na9 2
8 1 2 . . . . . . . . . 21 . HN parsed_2na9 2
9 1 1 . . . . . . . . . 20 . HN parsed_2na9 2
9 1 2 . . . . . . . . . 17 . HN parsed_2na9 2
10 1 1 . . . . . . . . . 20 . HN parsed_2na9 2
10 1 2 . . . . . . . . . 21 . HN parsed_2na9 2
11 1 1 . . . . . . . . . 20 . HN parsed_2na9 2
11 1 2 . . . . . . . . . 18 . HN parsed_2na9 2
12 1 1 . . . . . . . . . 22 . HN parsed_2na9 2
12 1 2 . . . . . . . . . 20 . HN parsed_2na9 2
13 1 1 . . . . . . . . . 24 . HN parsed_2na9 2
13 1 2 . . . . . . . . . 26 . HN parsed_2na9 2
14 1 1 . . . . . . . . . 24 . HN parsed_2na9 2
14 1 2 . . . . . . . . . 22 . HN parsed_2na9 2
15 1 1 . . . . . . . . . 24 . HN parsed_2na9 2
15 1 2 . . . . . . . . . 23 . HN parsed_2na9 2
16 1 1 . . . . . . . . . 25 . HN parsed_2na9 2
16 1 2 . . . . . . . . . 23 . HN parsed_2na9 2
17 1 1 . . . . . . . . . 25 . HN parsed_2na9 2
17 1 2 . . . . . . . . . 26 . HN parsed_2na9 2
18 1 1 . . . . . . . . . 26 . HN parsed_2na9 2
18 1 2 . . . . . . . . . 23 . HN parsed_2na9 2
19 1 1 . . . . . . . . . 26 . HN parsed_2na9 2
19 1 2 . . . . . . . . . 29 . HN parsed_2na9 2
20 1 1 . . . . . . . . . 27 . HN parsed_2na9 2
20 1 2 . . . . . . . . . 29 . HN parsed_2na9 2
21 1 1 . . . . . . . . . 28 . HN parsed_2na9 2
21 1 2 . . . . . . . . . 29 . HN parsed_2na9 2
22 1 1 . . . . . . . . . 29 . HN parsed_2na9 2
22 1 2 . . . . . . . . . 30 . HN parsed_2na9 2
23 1 1 . . . . . . . . . 30 . HN parsed_2na9 2
23 1 2 . . . . . . . . . 28 . HN parsed_2na9 2
24 1 1 . . . . . . . . . 30 . HN parsed_2na9 2
24 1 2 . . . . . . . . . 32 . HN parsed_2na9 2
25 1 1 . . . . . . . . . 31 . HN parsed_2na9 2
25 1 2 . . . . . . . . . 32 . HN parsed_2na9 2
26 1 1 . . . . . . . . . 31 . HN parsed_2na9 2
26 1 2 . . . . . . . . . 30 . HN parsed_2na9 2
27 1 1 . . . . . . . . . 33 . HN parsed_2na9 2
27 1 2 . . . . . . . . . 32 . HN parsed_2na9 2
28 1 1 . . . . . . . . . 33 . HN parsed_2na9 2
28 1 2 . . . . . . . . . 36 . HN parsed_2na9 2
29 1 1 . . . . . . . . . 34 . HN parsed_2na9 2
29 1 2 . . . . . . . . . 33 . HN parsed_2na9 2
30 1 1 . . . . . . . . . 34 . HN parsed_2na9 2
30 1 2 . . . . . . . . . 35 . HN parsed_2na9 2
31 1 1 . . . . . . . . . 34 . HN parsed_2na9 2
31 1 2 . . . . . . . . . 37 . HN parsed_2na9 2
32 1 1 . . . . . . . . . 34 . HN parsed_2na9 2
32 1 2 . . . . . . . . . 36 . HN parsed_2na9 2
33 1 1 . . . . . . . . . 35 . HN parsed_2na9 2
33 1 2 . . . . . . . . . 33 . HN parsed_2na9 2
34 1 1 . . . . . . . . . 35 . HN parsed_2na9 2
34 1 2 . . . . . . . . . 38 . HN parsed_2na9 2
35 1 1 . . . . . . . . . 35 . HN parsed_2na9 2
35 1 2 . . . . . . . . . 36 . HN parsed_2na9 2
36 1 1 . . . . . . . . . 37 . HN parsed_2na9 2
36 1 2 . . . . . . . . . 35 . HN parsed_2na9 2
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 . . . . . 4.0 1.8 6.0 parsed_2na9 2
2 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
3 1 . . . . . 4.0 1.8 6.0 parsed_2na9 2
4 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
5 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
6 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
7 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
8 1 . . . . . 4.0 1.8 4.5 parsed_2na9 2
9 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
10 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
11 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
12 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
13 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
14 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
15 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
16 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
17 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
18 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
19 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
20 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
21 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
22 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
23 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
24 1 . . . . . 4.0 1.8 4.5 parsed_2na9 2
25 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
26 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
27 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
28 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
29 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
30 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
31 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
32 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
33 1 . . . . . 3.0 1.8 3.5 parsed_2na9 2
34 1 . . . . . 4.0 1.8 5.0 parsed_2na9 2
35 1 . . . . . 2.5 1.8 2.9 parsed_2na9 2
36 1 . . . . . 4.0 1.8 4.5 parsed_2na9 2
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
;
hn-hn noe from w.t. (identical 13Ca shifts)
HN-HN, HN-HE1 TRP NOEs
;
1 1 3 25 parsed_2na9 2
2 "L 1 5.4" 5 78 5 87 parsed_2na9 2
3 "L 1 4.7" 6 78 6 87 parsed_2na9 2
4 "L 1 6.7" 7 78 7 87 parsed_2na9 2
5 "L 1 4.6" 8 78 8 87 parsed_2na9 2
6 "L 1 3.4" 9 78 9 87 parsed_2na9 2
7 "L 1 3.4" 10 78 10 87 parsed_2na9 2
8 "I 1 3.5" 11 78 11 87 parsed_2na9 2
9 "I 1 3.4" 12 78 12 87 parsed_2na9 2
10 "V 1 3.6" 13 78 13 87 parsed_2na9 2
11 "V 1 2.8" 14 78 14 87 parsed_2na9 2
12 "V 1 3.9" 15 78 15 87 parsed_2na9 2
13 "F 1 3.8" 16 78 16 87 parsed_2na9 2
14 "T 1 3.8" 17 78 17 87 parsed_2na9 2
15 "T 1 4.5" 18 78 18 87 parsed_2na9 2
16 "T 1 4.0" 19 78 19 87 parsed_2na9 2
17 "I 1 4.1" 20 78 20 87 parsed_2na9 2
18 "I 1 3.0" 21 78 21 87 parsed_2na9 2
19 "A 1 4.7" 22 78 22 87 parsed_2na9 2
20 "A 1 4.5" 23 78 23 87 parsed_2na9 2
21 "V 1 3.7" 24 78 24 87 parsed_2na9 2
22 "L 1 3.1" 25 78 25 87 parsed_2na9 2
23 "L 1 2.8" 26 78 26 87 parsed_2na9 2
24 "A 1 3.5" 27 78 27 87 parsed_2na9 2
25 "A 1 3.2" 28 78 28 87 parsed_2na9 2
26 "L 1 2.8" 29 78 29 87 parsed_2na9 2
27 "L 1 2.7" 30 78 30 87 parsed_2na9 2
28 "F 1 2.7" 31 78 31 87 parsed_2na9 2
29 "F 1 4.2" 32 78 32 87 parsed_2na9 2
30 "C 1 3.2" 33 78 33 87 parsed_2na9 2
31 "C 1 2.9" 34 78 34 87 parsed_2na9 2
32 "C 1 4.3" 35 78 35 87 parsed_2na9 2
33 "C 1 3.7" 36 78 36 87 parsed_2na9 2
34 "G 1 3.3" 37 78 37 87 parsed_2na9 2
35 "G 1 3.6" 38 78 38 87 parsed_2na9 2
36 "G 1 2.7" 39 78 39 87 parsed_2na9 2
37 "Y 1 3.3" 40 78 40 87 parsed_2na9 2
stop_
save_
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