NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
624090 | 6bf5 | 30366 | cing | 2-parsed | STAR | entry | full | 47 |
data_6bf5_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6bf5 _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_6bf5 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6bf5 _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 6bf5 "Master copy" parsed_6bf5 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6bf5 _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 6bf5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6bf5 1 1 6bf5.mr . . XPLOR/CNS 2 distance NOE simple 47 parsed_6bf5 1 1 6bf5.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6bf5 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_6bf5 _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 DE NOVO PROTEIN 25-OCT-17 6BF5 *TITLE SOLUTION STRUCTURE OF DE NOVO MACROCYCLE DESIGN7.3A *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: QDP(DPR)K(DTH)(DAS); *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_TAXID: 9606 *KEYWDS MACROCYCLE, DE NOVO, DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR M.D.SHORTRIDGE,P.HOSSEINZADEH,F.PARDO-AVILA,G.VARANI,D.BAKER *REVDAT 1 10-JAN-18 6BF5 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6bf5 _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 2 _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_6bf5 1 2 1 . . . parsed_6bf5 1 3 1 . . . parsed_6bf5 1 4 1 . . . parsed_6bf5 1 5 1 . . . parsed_6bf5 1 6 1 . . . parsed_6bf5 1 7 1 . . . parsed_6bf5 1 8 1 . . . parsed_6bf5 1 9 1 . . . parsed_6bf5 1 10 1 . . . parsed_6bf5 1 11 1 . . . parsed_6bf5 1 12 1 . . . parsed_6bf5 1 13 1 . . . parsed_6bf5 1 14 1 . . . parsed_6bf5 1 15 1 . . . parsed_6bf5 1 16 1 . . . parsed_6bf5 1 17 1 . . . parsed_6bf5 1 18 1 . . . parsed_6bf5 1 19 1 . . . parsed_6bf5 1 20 1 . . . parsed_6bf5 1 21 1 . . . parsed_6bf5 1 22 1 . . . parsed_6bf5 1 23 1 . . . parsed_6bf5 1 24 1 . . . parsed_6bf5 1 25 1 . . . parsed_6bf5 1 26 1 . . . parsed_6bf5 1 27 1 . . . parsed_6bf5 1 28 1 . . . parsed_6bf5 1 29 1 . . . parsed_6bf5 1 30 1 . . . parsed_6bf5 1 31 1 . . . parsed_6bf5 1 32 1 . . . parsed_6bf5 1 33 1 . . . parsed_6bf5 1 34 1 . . . parsed_6bf5 1 35 1 . . . parsed_6bf5 1 36 1 . . . parsed_6bf5 1 37 1 . . . parsed_6bf5 1 38 1 . . . parsed_6bf5 1 39 1 . . . parsed_6bf5 1 40 1 . . . parsed_6bf5 1 41 1 . . . parsed_6bf5 1 42 1 . . . parsed_6bf5 1 43 1 . . . parsed_6bf5 1 44 1 . . . parsed_6bf5 1 45 1 . . . parsed_6bf5 1 46 1 . . . parsed_6bf5 1 47 1 . . . parsed_6bf5 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 . . . . . . . . . 6 . HA parsed_6bf5 1 1 1 2 . . . . . . . . . 7 . HN parsed_6bf5 1 2 1 1 . . . . . . . . . 7 . HB# parsed_6bf5 1 2 1 2 . . . . . . . . . 7 . HN parsed_6bf5 1 3 1 1 . . . . . . . . . 1 . HA parsed_6bf5 1 3 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 4 1 1 . . . . . . . . . 1 . HA parsed_6bf5 1 4 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 5 1 1 . . . . . . . . . 1 . HB# parsed_6bf5 1 5 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 6 1 1 . . . . . . . . . 1 . HB# parsed_6bf5 1 6 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 7 1 1 . . . . . . . . . 1 . HG2# parsed_6bf5 1 7 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 8 1 1 . . . . . . . . . 1 . HG1 parsed_6bf5 1 8 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 9 1 1 . . . . . . . . . 1 . HN parsed_6bf5 1 9 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 10 1 1 . . . . . . . . . 2 . HA parsed_6bf5 1 10 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 11 1 1 . . . . . . . . . 2 . HB2 parsed_6bf5 1 11 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 12 1 1 . . . . . . . . . 2 . HB1 parsed_6bf5 1 12 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 13 1 1 . . . . . . . . . 3 . HA parsed_6bf5 1 13 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 14 1 1 . . . . . . . . . 3 . HB2 parsed_6bf5 1 14 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 15 1 1 . . . . . . . . . 3 . HB1 parsed_6bf5 1 15 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 16 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 16 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 17 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 17 1 2 . . . . . . . . . 3 . HA parsed_6bf5 1 18 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 18 1 2 . . . . . . . . . 3 . HB2 parsed_6bf5 1 19 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 19 1 2 . . . . . . . . . 3 . HB1 parsed_6bf5 1 20 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 20 1 2 . . . . . . . . . 3 . HG2# parsed_6bf5 1 21 1 1 . . . . . . . . . 3 . HD2 parsed_6bf5 1 21 1 2 . . . . . . . . . 3 . HG1 parsed_6bf5 1 22 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 22 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 23 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 23 1 2 . . . . . . . . . 3 . HA parsed_6bf5 1 24 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 24 1 2 . . . . . . . . . 3 . HB2 parsed_6bf5 1 25 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 25 1 2 . . . . . . . . . 3 . HB1 parsed_6bf5 1 26 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 26 1 2 . . . . . . . . . 3 . HG2# parsed_6bf5 1 27 1 1 . . . . . . . . . 3 . HD1 parsed_6bf5 1 27 1 2 . . . . . . . . . 3 . HG1 parsed_6bf5 1 28 1 1 . . . . . . . . . 4 . HA parsed_6bf5 1 28 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 29 1 1 . . . . . . . . . 4 . HB# parsed_6bf5 1 29 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 30 1 1 . . . . . . . . . 4 . HG# parsed_6bf5 1 30 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 31 1 1 . . . . . . . . . 5 . HA parsed_6bf5 1 31 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 32 1 1 . . . . . . . . . 5 . HA parsed_6bf5 1 32 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 33 1 1 . . . . . . . . . 5 . HB# parsed_6bf5 1 33 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 34 1 1 . . . . . . . . . 5 . HD2 parsed_6bf5 1 34 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 35 1 1 . . . . . . . . . 5 . HD1 parsed_6bf5 1 35 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 36 1 1 . . . . . . . . . 5 . HG# parsed_6bf5 1 36 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 37 1 1 . . . . . . . . . 5 . HN parsed_6bf5 1 37 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 38 1 1 . . . . . . . . . 6 . HA parsed_6bf5 1 38 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 39 1 1 . . . . . . . . . 6 . HB# parsed_6bf5 1 39 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 40 1 1 . . . . . . . . . 6 . HG2# parsed_6bf5 1 40 1 2 . . . . . . . . . 6 . HN parsed_6bf5 1 41 1 1 . . . . . . . . . 6 . HN parsed_6bf5 1 41 1 2 . . . . . . . . . 5 . HN parsed_6bf5 1 42 1 1 . . . . . . . . . 6 . HN parsed_6bf5 1 42 1 2 . . . . . . . . . 7 . HN parsed_6bf5 1 43 1 1 . . . . . . . . . 7 . HA parsed_6bf5 1 43 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 44 1 1 . . . . . . . . . 7 . HA parsed_6bf5 1 44 1 2 . . . . . . . . . 2 . HN parsed_6bf5 1 45 1 1 . . . . . . . . . 7 . HA parsed_6bf5 1 45 1 2 . . . . . . . . . 7 . HN parsed_6bf5 1 46 1 1 . . . . . . . . . 7 . HB# parsed_6bf5 1 46 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 47 1 1 . . . . . . . . . 7 . HN parsed_6bf5 1 47 1 2 . . . . . . . . . 1 . HN parsed_6bf5 1 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 3.5 2.3 4.7 parsed_6bf5 1 2 1 . . . . . 3.5 2.3 4.7 parsed_6bf5 1 3 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 4 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 5 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 6 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 7 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 8 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 9 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 10 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 11 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 12 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 13 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 14 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 15 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 16 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 17 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 18 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 19 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 20 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 21 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 22 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 23 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 24 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 25 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 26 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 27 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 28 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 29 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 30 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 31 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 32 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 33 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 34 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 35 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 36 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 37 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 38 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 39 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 40 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 41 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 42 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 43 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 44 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 45 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 46 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 1 47 1 . . . . . 4.5 2.9 6.1 parsed_6bf5 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 ; -------------------------------------------------------------------------! NOE Table for Surivivor_2 peptide ! Updated 041317 mds Survivor_2, 9mer GLN ASP PRO pro LYS thr asp Upper case L-Amino Acid Lower case D-Amino Acid ! NOE binning !! strong 2.5 0.7 0.7 medium 3.5 1.2 1.2 weak 4.5 1.6 1.6 very weak 5.0 2.0 2.0 TOTAL NOES = 47 long range (j-i >6) = 3 short range (2 > j-i < 5) = 4 sequential (i to j) = 13 intraresidue (i to i) = 27 ---------------------------------------------------------------------------! ; 2 1 20 78 parsed_6bf5 1 stop_ loop_ _Dist_constraint_parse_err.ID _Dist_constraint_parse_err.Content _Dist_constraint_parse_err.Begin_line _Dist_constraint_parse_err.Begin_column _Dist_constraint_parse_err.End_line _Dist_constraint_parse_err.End_column _Dist_constraint_parse_err.Entry_ID _Dist_constraint_parse_err.Distance_constraint_list_ID 1 "# Restraints file 1: survivor_2_noe.tbl" 1 1 1 39 parsed_6bf5 1 stop_ save_
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