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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