NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
644096 | 6r2x | 34381 | cing | 2-parsed | STAR | entry | full | 14 |
data_6r2x_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6r2x _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_6r2x 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6r2x _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 6r2x "Master copy" parsed_6r2x stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6r2x _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 6r2x.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6r2x 1 1 6r2x.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_6r2x 1 1 6r2x.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6r2x 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_6r2x _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 HORMONE 19-MAR-19 6R2X *TITLE NMR STRUCTURE OF CHROMOGRANIN A (F39-D63) *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CHROMOGRANIN-A; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: CGA,PITUITARY SECRETORY PROTEIN I,SP-I; *COMPND 5 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: CHGA; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 *KEYWDS FRAGMENT OF CHROMOGRANIN A, LIGAND OF ALPHA V BETA 6, INTERACTORS, *KEYWDS 2 HORMONE *EXPDTA SOLUTION NMR *NUMMDL 15 *AUTHOR F.NARDELLI,G.QUILICI,M.GHITTI,F.CURNIS,A.GORI,A.BERARDI,A.CORTI, *AUTHOR 2 G.MUSCO *REVDAT 1 04-DEC-19 6R2X 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6r2x _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.47 -53.79 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_6r2x 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.94 -53.78 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_6r2x 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.05 -64.13 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_6r2x 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.36 -59.40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_6r2x 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.14 -61.92 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_6r2x 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.03 -61.53 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_6r2x 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.13 -60.13 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_6r2x 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.93 -23.13 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_6r2x 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.07 -22.61 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_6r2x 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.80 -22.94 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_6r2x 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -43.50 -29.92 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_6r2x 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.10 -28.86 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_6r2x 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.08 -27.26 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_6r2x 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -41.01 -24.93 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_6r2x 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 ; using 1.5 times the talos error! 8 E TALOS PHI = -64.13 +/- 6.90 ; 2 1 3 47 parsed_6r2x 1 2 "9 R TALOS PHI = -67.36 +/- 9.05" 7 1 7 47 parsed_6r2x 1 3 "10 I TALOS PHI = -72.09 +/- 5.30" 11 1 11 47 parsed_6r2x 1 4 "12 S TALOS PHI = -67.38 +/- 5.32" 15 1 15 47 parsed_6r2x 1 5 "13 I TALOS PHI = -69.03 +/- 4.74" 19 1 19 47 parsed_6r2x 1 6 "14 L TALOS PHI = -69.28 +/- 5.17" 23 1 23 47 parsed_6r2x 1 7 "15 R TALOS PHI = -69.13 +/- 6.00" 27 1 27 47 parsed_6r2x 1 8 ; using 1.5 times the talos error! 8 E TALOS PSI = -32.03 +/- 5.93 ; 32 1 33 47 parsed_6r2x 1 9 "9 R TALOS PSI = -36.34 +/- 9.15" 37 1 37 47 parsed_6r2x 1 10 "10 I TALOS PSI = -33.87 +/- 7.29" 41 1 41 47 parsed_6r2x 1 11 "12 S TALOS PSI = -36.71 +/- 4.53" 45 1 45 47 parsed_6r2x 1 12 "13 I TALOS PSI = -38.48 +/- 6.41" 49 1 49 47 parsed_6r2x 1 13 "14 L TALOS PSI = -37.67 +/- 6.94" 53 1 53 47 parsed_6r2x 1 14 "15 R TALOS PSI = -32.97 +/- 5.36" 57 1 57 47 parsed_6r2x 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "# Restraints file 1: talos_phi.tbl" 1 1 1 34 parsed_6r2x 1 2 "# Restraints file 2: talos_psi.tbl" 31 1 31 34 parsed_6r2x 1 stop_ save_
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