NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
599419 | 2mza | 25478 | cing | 2-parsed | STAR | entry | full | 119 |
data_2mza_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2mza _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_2mza 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2mza _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 2mza "Master copy" parsed_2mza stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2mza _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 2mza.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mza 1 1 2mza.mr . . DYANA/DIANA 2 distance NOE simple 85 parsed_2mza 1 1 2mza.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 10 parsed_2mza 1 1 2mza.mr . . DYANA/DIANA 4 distance "general distance" simple 5 parsed_2mza 1 1 2mza.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 19 parsed_2mza 1 1 2mza.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mza 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_2mza _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 MEMBRANE PROTEIN, SIGNALING PROTEIN 08-FEB-15 2MZA *TITLE PHOSPHORYLATION OF CB1 CANNABINOID RECEPTOR FOURTH INTRACELLULAR LOOP *TITLE 2 PEPDUCINS: EFFECTS ON STRUCTURE AND FUNCTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: CANNABINOID RECEPTOR 1; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: RESIDUES 400-414; *COMPND 5 SYNONYM: CB-R, CB1, CANN6; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: CUSTOM SYNTHESIS *KEYWDS PHOSPHORYLATION, PROTEIN KINASE C, G PROTEIN COUPLED RECEPTOR, *KEYWDS 2 BRADYKININ, MEMBRANE PROTEIN, SIGNALING PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.GANJIWALE, K.ELDEEB, I.CHANDRASHEKARAN, A.HOWLETT, S.COWSIK *REVDAT 1 17-FEB-16 2MZA 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mza _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_2mza 1 2 1 . . . parsed_2mza 1 3 1 . . . parsed_2mza 1 4 1 . . . parsed_2mza 1 5 1 . . . parsed_2mza 1 6 1 . . . parsed_2mza 1 7 1 . . . parsed_2mza 1 8 1 . . . parsed_2mza 1 9 1 . . . parsed_2mza 1 10 1 . . . parsed_2mza 1 11 1 . . . parsed_2mza 1 12 1 . . . parsed_2mza 1 13 1 . . . parsed_2mza 1 14 1 . . . parsed_2mza 1 15 1 . . . parsed_2mza 1 16 1 . . . parsed_2mza 1 17 1 . . . parsed_2mza 1 18 1 . . . parsed_2mza 1 19 1 . . . parsed_2mza 1 20 1 . . . parsed_2mza 1 21 1 . . . parsed_2mza 1 22 1 . . . parsed_2mza 1 23 1 . . . parsed_2mza 1 24 1 . . . parsed_2mza 1 25 1 . . . parsed_2mza 1 26 1 . . . parsed_2mza 1 27 1 . . . parsed_2mza 1 28 1 . . . parsed_2mza 1 29 1 . . . parsed_2mza 1 30 1 . . . parsed_2mza 1 31 1 . . . parsed_2mza 1 32 1 . . . parsed_2mza 1 33 1 . . . parsed_2mza 1 34 1 . . . parsed_2mza 1 35 1 . . . parsed_2mza 1 36 1 . . . parsed_2mza 1 37 1 . . . parsed_2mza 1 38 1 . . . parsed_2mza 1 39 1 . . . parsed_2mza 1 40 1 . . . parsed_2mza 1 41 1 . . . parsed_2mza 1 42 1 . . . parsed_2mza 1 43 1 . . . parsed_2mza 1 44 1 . . . parsed_2mza 1 45 1 . . . parsed_2mza 1 46 1 . . . parsed_2mza 1 47 1 . . . parsed_2mza 1 48 1 . . . parsed_2mza 1 49 1 . . . parsed_2mza 1 50 1 . . . parsed_2mza 1 51 1 . . . parsed_2mza 1 52 1 . . . parsed_2mza 1 53 1 . . . parsed_2mza 1 54 1 . . . parsed_2mza 1 55 1 . . . parsed_2mza 1 56 1 . . . parsed_2mza 1 57 1 . . . parsed_2mza 1 58 1 . . . parsed_2mza 1 59 1 . . . parsed_2mza 1 60 1 . . . parsed_2mza 1 61 1 . . . parsed_2mza 1 62 1 . . . parsed_2mza 1 63 1 . . . parsed_2mza 1 64 1 . . . parsed_2mza 1 65 1 . . . parsed_2mza 1 66 1 . . . parsed_2mza 1 67 1 . . . parsed_2mza 1 68 1 . . . parsed_2mza 1 69 1 . . . parsed_2mza 1 70 1 . . . parsed_2mza 1 71 1 . . . parsed_2mza 1 72 1 . . . parsed_2mza 1 73 1 . . . parsed_2mza 1 74 1 . . . parsed_2mza 1 75 1 . . . parsed_2mza 1 76 1 . . . parsed_2mza 1 77 1 . . . parsed_2mza 1 78 1 . . . parsed_2mza 1 79 1 . . . parsed_2mza 1 80 1 . . . parsed_2mza 1 81 1 . . . parsed_2mza 1 82 1 . . . parsed_2mza 1 83 1 . . . parsed_2mza 1 84 1 . . . parsed_2mza 1 85 1 . . . parsed_2mza 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 . . . . . . . . . 1 ARG HA parsed_2mza 1 1 1 2 . . . . . . . . . 2 SER H parsed_2mza 1 2 1 1 . . . . . . . . . 1 ARG QB parsed_2mza 1 2 1 2 . . . . . . . . . 3 LYS H parsed_2mza 1 3 1 1 . . . . . . . . . 2 SER H parsed_2mza 1 3 1 2 . . . . . . . . . 3 LYS H parsed_2mza 1 4 1 1 . . . . . . . . . 2 SER HA parsed_2mza 1 4 1 2 . . . . . . . . . 3 LYS H parsed_2mza 1 5 1 1 . . . . . . . . . 2 SER QB parsed_2mza 1 5 1 2 . . . . . . . . . 3 LYS H parsed_2mza 1 6 1 1 . . . . . . . . . 3 LYS H parsed_2mza 1 6 1 2 . . . . . . . . . 4 ASP H parsed_2mza 1 7 1 1 . . . . . . . . . 3 LYS HA parsed_2mza 1 7 1 2 . . . . . . . . . 4 ASP H parsed_2mza 1 8 1 1 . . . . . . . . . 3 LYS HA parsed_2mza 1 8 1 2 . . . . . . . . . 6 ARG QB parsed_2mza 1 9 1 1 . . . . . . . . . 4 ASP HA parsed_2mza 1 9 1 2 . . . . . . . . . 6 ARG H parsed_2mza 1 10 1 1 . . . . . . . . . 4 ASP H parsed_2mza 1 10 1 2 . . . . . . . . . 5 LEU H parsed_2mza 1 11 1 1 . . . . . . . . . 4 ASP HA parsed_2mza 1 11 1 2 . . . . . . . . . 5 LEU H parsed_2mza 1 12 1 1 . . . . . . . . . 4 ASP HB2 parsed_2mza 1 12 1 2 . . . . . . . . . 5 LEU H parsed_2mza 1 13 1 1 . . . . . . . . . 4 ASP HB3 parsed_2mza 1 13 1 2 . . . . . . . . . 5 LEU H parsed_2mza 1 14 1 1 . . . . . . . . . 4 ASP HA parsed_2mza 1 14 1 2 . . . . . . . . . 7 HIS QB parsed_2mza 1 15 1 1 . . . . . . . . . 5 LEU H parsed_2mza 1 15 1 2 . . . . . . . . . 6 ARG H parsed_2mza 1 16 1 1 . . . . . . . . . 5 LEU H parsed_2mza 1 16 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 17 1 1 . . . . . . . . . 5 LEU HA parsed_2mza 1 17 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 18 1 1 . . . . . . . . . 5 LEU HA parsed_2mza 1 18 1 2 . . . . . . . . . 6 ARG H parsed_2mza 1 19 1 1 . . . . . . . . . 5 LEU QB parsed_2mza 1 19 1 2 . . . . . . . . . 6 ARG H parsed_2mza 1 20 1 1 . . . . . . . . . 5 LEU HA parsed_2mza 1 20 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 21 1 1 . . . . . . . . . 5 LEU HA parsed_2mza 1 21 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 22 1 1 . . . . . . . . . 5 LEU HA parsed_2mza 1 22 1 2 . . . . . . . . . 8 ALA QB parsed_2mza 1 23 1 1 . . . . . . . . . 6 ARG N parsed_2mza 1 23 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 24 1 1 . . . . . . . . . 6 ARG H parsed_2mza 1 24 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 25 1 1 . . . . . . . . . 6 ARG HA parsed_2mza 1 25 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 26 1 1 . . . . . . . . . 6 ARG HA parsed_2mza 1 26 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 27 1 1 . . . . . . . . . 6 ARG HA parsed_2mza 1 27 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 28 1 1 . . . . . . . . . 6 ARG H parsed_2mza 1 28 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 29 1 1 . . . . . . . . . 6 ARG QB parsed_2mza 1 29 1 2 . . . . . . . . . 7 HIS H parsed_2mza 1 30 1 1 . . . . . . . . . 6 ARG H parsed_2mza 1 30 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 31 1 1 . . . . . . . . . 7 HIS H parsed_2mza 1 31 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 32 1 1 . . . . . . . . . 6 ARG HA parsed_2mza 1 32 1 2 . . . . . . . . . 9 PHE QB parsed_2mza 1 33 1 1 . . . . . . . . . 7 HIS HA parsed_2mza 1 33 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 34 1 1 . . . . . . . . . 7 HIS HA parsed_2mza 1 34 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 35 1 1 . . . . . . . . . 7 HIS QB parsed_2mza 1 35 1 2 . . . . . . . . . 8 ALA H parsed_2mza 1 36 1 1 . . . . . . . . . 7 HIS HA parsed_2mza 1 36 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 37 1 1 . . . . . . . . . 7 HIS HA parsed_2mza 1 37 1 2 . . . . . . . . . 10 ARG QB parsed_2mza 1 38 1 1 . . . . . . . . . 7 HIS H parsed_2mza 1 38 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 39 1 1 . . . . . . . . . 8 ALA H parsed_2mza 1 39 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 40 1 1 . . . . . . . . . 8 ALA HA parsed_2mza 1 40 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 41 1 1 . . . . . . . . . 8 ALA HA parsed_2mza 1 41 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 42 1 1 . . . . . . . . . 8 ALA H parsed_2mza 1 42 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 43 1 1 . . . . . . . . . 8 ALA HA parsed_2mza 1 43 1 2 . . . . . . . . . 11 SEP HB2 parsed_2mza 1 44 1 1 . . . . . . . . . 8 ALA HA parsed_2mza 1 44 1 2 . . . . . . . . . 11 SEP HB3 parsed_2mza 1 45 1 1 . . . . . . . . . 8 ALA QB parsed_2mza 1 45 1 2 . . . . . . . . . 9 PHE H parsed_2mza 1 46 1 1 . . . . . . . . . 9 PHE H parsed_2mza 1 46 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 47 1 1 . . . . . . . . . 9 PHE HA parsed_2mza 1 47 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 48 1 1 . . . . . . . . . 9 PHE H parsed_2mza 1 48 1 2 . . . . . . . . . 11 SEP H parsed_2mza 1 49 1 1 . . . . . . . . . 9 PHE HB2 parsed_2mza 1 49 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 50 1 1 . . . . . . . . . 9 PHE HB3 parsed_2mza 1 50 1 2 . . . . . . . . . 10 ARG H parsed_2mza 1 51 1 1 . . . . . . . . . 9 PHE HA parsed_2mza 1 51 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 52 1 1 . . . . . . . . . 10 ARG H parsed_2mza 1 52 1 2 . . . . . . . . . 11 SEP H parsed_2mza 1 53 1 1 . . . . . . . . . 10 ARG HA parsed_2mza 1 53 1 2 . . . . . . . . . 11 SEP H parsed_2mza 1 54 1 1 . . . . . . . . . 10 ARG H parsed_2mza 1 54 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 55 1 1 . . . . . . . . . 10 ARG HA parsed_2mza 1 55 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 56 1 1 . . . . . . . . . 10 ARG QB parsed_2mza 1 56 1 2 . . . . . . . . . 11 SEP H parsed_2mza 1 57 1 1 . . . . . . . . . 10 ARG HA parsed_2mza 1 57 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 58 1 1 . . . . . . . . . 11 SEP H parsed_2mza 1 58 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 59 1 1 . . . . . . . . . 11 SEP HA parsed_2mza 1 59 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 60 1 1 . . . . . . . . . 11 SEP HA parsed_2mza 1 60 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 61 1 1 . . . . . . . . . 11 SEP H parsed_2mza 1 61 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 62 1 1 . . . . . . . . . 11 SEP HB2 parsed_2mza 1 62 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 63 1 1 . . . . . . . . . 11 SEP HB3 parsed_2mza 1 63 1 2 . . . . . . . . . 12 MET H parsed_2mza 1 64 1 1 . . . . . . . . . 12 MET H parsed_2mza 1 64 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 65 1 1 . . . . . . . . . 12 MET HA parsed_2mza 1 65 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 66 1 1 . . . . . . . . . 12 MET QB parsed_2mza 1 66 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 67 1 1 . . . . . . . . . 13 PHE HA parsed_2mza 1 67 1 2 . . . . . . . . . 15 SER H parsed_2mza 1 68 1 1 . . . . . . . . . 14 PROO QD parsed_2mza 1 68 1 2 . . . . . . . . . 13 PHE H parsed_2mza 1 69 1 1 . . . . . . . . . 14 PROO HA parsed_2mza 1 69 1 2 . . . . . . . . . 15 SER H parsed_2mza 1 70 1 1 . . . . . . . . . 14 PROO QB parsed_2mza 1 70 1 2 . . . . . . . . . 15 SER H parsed_2mza 1 71 1 1 . . . . . . . . . 14 PROO CD parsed_2mza 1 71 1 2 . . . . . . . . . 14 PROO CG parsed_2mza 1 72 1 1 . . . . . . . . . 14 PROO CD parsed_2mza 1 72 1 2 . . . . . . . . . 14 PROO CB parsed_2mza 1 73 1 1 . . . . . . . . . 14 PROO CD parsed_2mza 1 73 1 2 . . . . . . . . . 14 PROO HG2 parsed_2mza 1 74 1 1 . . . . . . . . . 14 PROO CG parsed_2mza 1 74 1 2 . . . . . . . . . 14 PROO N parsed_2mza 1 75 1 1 . . . . . . . . . 14 PROO CG parsed_2mza 1 75 1 2 . . . . . . . . . 14 PROO HD2 parsed_2mza 1 76 1 1 . . . . . . . . . 15 SER H parsed_2mza 1 76 1 2 . . . . . . . . . 16 SER H parsed_2mza 1 77 1 1 . . . . . . . . . 15 SER HA parsed_2mza 1 77 1 2 . . . . . . . . . 16 SER H parsed_2mza 1 78 1 1 . . . . . . . . . 16 SER HA parsed_2mza 1 78 1 2 . . . . . . . . . 17 GLU H parsed_2mza 1 79 1 1 . . . . . . . . . 16 SER H parsed_2mza 1 79 1 2 . . . . . . . . . 17 GLU H parsed_2mza 1 80 1 1 . . . . . . . . . 17 GLU H parsed_2mza 1 80 1 2 . . . . . . . . . 17 GLU HA parsed_2mza 1 81 1 1 . . . . . . . . . 17 GLU HA parsed_2mza 1 81 1 2 . . . . . . . . . 17 GLU QG parsed_2mza 1 82 1 1 . . . . . . . . . 17 GLU HA parsed_2mza 1 82 1 2 . . . . . . . . . 17 GLU QB parsed_2mza 1 83 1 1 . . . . . . . . . 17 GLU HB2 parsed_2mza 1 83 1 2 . . . . . . . . . 17 GLU QG parsed_2mza 1 84 1 1 . . . . . . . . . 17 GLU HB2 parsed_2mza 1 84 1 2 . . . . . . . . . 17 GLU HB3 parsed_2mza 1 85 1 1 . . . . . . . . . 17 GLU HB3 parsed_2mza 1 85 1 2 . . . . . . . . . 17 GLU QG parsed_2mza 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 . . . . . . . 3.50 parsed_2mza 1 2 1 . . . . . . . 4.50 parsed_2mza 1 3 1 . . . . . . . 2.80 parsed_2mza 1 4 1 . . . . . . . 3.50 parsed_2mza 1 5 1 . . . . . . . 4.00 parsed_2mza 1 6 1 . . . . . . . 2.80 parsed_2mza 1 7 1 . . . . . . . 3.50 parsed_2mza 1 8 1 . . . . . . . 4.50 parsed_2mza 1 9 1 . . . . . . . 5.00 parsed_2mza 1 10 1 . . . . . . . 2.80 parsed_2mza 1 11 1 . . . . . . . 3.50 parsed_2mza 1 12 1 . . . . . . . 3.50 parsed_2mza 1 13 1 . . . . . . . 3.50 parsed_2mza 1 14 1 . . . . . . . 4.50 parsed_2mza 1 15 1 . . . . . . . 2.80 parsed_2mza 1 16 1 . . . . . . . 4.20 parsed_2mza 1 17 1 . . . . . . . 3.80 parsed_2mza 1 18 1 . . . . . . . 3.50 parsed_2mza 1 19 1 . . . . . . . 3.50 parsed_2mza 1 20 1 . . . . . . . 4.50 parsed_2mza 1 21 1 . . . . . . . 5.00 parsed_2mza 1 22 1 . . . . . . . 4.50 parsed_2mza 1 23 1 . . . . . . . 2.80 parsed_2mza 1 24 1 . . . . . . . 2.80 parsed_2mza 1 25 1 . . . . . . . 3.50 parsed_2mza 1 26 1 . . . . . . . 4.20 parsed_2mza 1 27 1 . . . . . . . 3.80 parsed_2mza 1 28 1 . . . . . . . 4.20 parsed_2mza 1 29 1 . . . . . . . 3.50 parsed_2mza 1 30 1 . . . . . . . 4.20 parsed_2mza 1 31 1 . . . . . . . 2.80 parsed_2mza 1 32 1 . . . . . . . 4.50 parsed_2mza 1 33 1 . . . . . . . 3.40 parsed_2mza 1 34 1 . . . . . . . 3.80 parsed_2mza 1 35 1 . . . . . . . 3.80 parsed_2mza 1 36 1 . . . . . . . 4.20 parsed_2mza 1 37 1 . . . . . . . 4.50 parsed_2mza 1 38 1 . . . . . . . 4.20 parsed_2mza 1 39 1 . . . . . . . 2.80 parsed_2mza 1 40 1 . . . . . . . 3.50 parsed_2mza 1 41 1 . . . . . . . 3.80 parsed_2mza 1 42 1 . . . . . . . 4.20 parsed_2mza 1 43 1 . . . . . . . 4.50 parsed_2mza 1 44 1 . . . . . . . 4.50 parsed_2mza 1 45 1 . . . . . . . 3.50 parsed_2mza 1 46 1 . . . . . . . 2.80 parsed_2mza 1 47 1 . . . . . . . 3.50 parsed_2mza 1 48 1 . . . . . . . 4.20 parsed_2mza 1 49 1 . . . . . . . 4.00 parsed_2mza 1 50 1 . . . . . . . 4.00 parsed_2mza 1 51 1 . . . . . . . 4.20 parsed_2mza 1 52 1 . . . . . . . 2.80 parsed_2mza 1 53 1 . . . . . . . 3.50 parsed_2mza 1 54 1 . . . . . . . 4.20 parsed_2mza 1 55 1 . . . . . . . 4.20 parsed_2mza 1 56 1 . . . . . . . 3.50 parsed_2mza 1 57 1 . . . . . . . 4.50 parsed_2mza 1 58 1 . . . . . . . 2.80 parsed_2mza 1 59 1 . . . . . . . 3.50 parsed_2mza 1 60 1 . . . . . . . 4.00 parsed_2mza 1 61 1 . . . . . . . 4.20 parsed_2mza 1 62 1 . . . . . . . 4.50 parsed_2mza 1 63 1 . . . . . . . 4.50 parsed_2mza 1 64 1 . . . . . . . 2.80 parsed_2mza 1 65 1 . . . . . . . 3.50 parsed_2mza 1 66 1 . . . . . . . 3.50 parsed_2mza 1 67 1 . . . . . . . 4.20 parsed_2mza 1 68 1 . . . . . . . 4.50 parsed_2mza 1 69 1 . . . . . . . 3.50 parsed_2mza 1 70 1 . . . . . . . 4.00 parsed_2mza 1 71 1 . . . . . . . 1.5 parsed_2mza 1 72 1 . . . . . . . 2.40 parsed_2mza 1 73 1 . . . . . . . 2.13 parsed_2mza 1 74 1 . . . . . . . 2.34 parsed_2mza 1 75 1 . . . . . . . 2.13 parsed_2mza 1 76 1 . . . . . . . 2.80 parsed_2mza 1 77 1 . . . . . . . 3.50 parsed_2mza 1 78 1 . . . . . . . 3.50 parsed_2mza 1 79 1 . . . . . . . 2.80 parsed_2mza 1 80 1 . . . . . . . 3.50 parsed_2mza 1 81 1 . . . . . . . 4.00 parsed_2mza 1 82 1 . . . . . . . 3.50 parsed_2mza 1 83 1 . . . . . . . 4.00 parsed_2mza 1 84 1 . . . . . . . 4.00 parsed_2mza 1 85 1 . . . . . . . 4.00 parsed_2mza 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mza _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 3 _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_2mza 2 2 1 . . . parsed_2mza 2 3 1 . . . parsed_2mza 2 4 1 . . . parsed_2mza 2 5 1 . . . parsed_2mza 2 6 1 . . . parsed_2mza 2 7 1 . . . parsed_2mza 2 8 1 . . . parsed_2mza 2 9 1 . . . parsed_2mza 2 10 1 . . . parsed_2mza 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 . . . . . . . . . 5 LEU O parsed_2mza 2 1 1 2 . . . . . . . . . 8 ALA H parsed_2mza 2 2 1 1 . . . . . . . . . 5 LEU O parsed_2mza 2 2 1 2 . . . . . . . . . 8 ALA N parsed_2mza 2 3 1 1 . . . . . . . . . 6 ARG O parsed_2mza 2 3 1 2 . . . . . . . . . 9 PHE H parsed_2mza 2 4 1 1 . . . . . . . . . 6 ARG O parsed_2mza 2 4 1 2 . . . . . . . . . 9 PHE N parsed_2mza 2 5 1 1 . . . . . . . . . 7 HIS O parsed_2mza 2 5 1 2 . . . . . . . . . 10 ARG H parsed_2mza 2 6 1 1 . . . . . . . . . 7 HIS O parsed_2mza 2 6 1 2 . . . . . . . . . 10 ARG N parsed_2mza 2 7 1 1 . . . . . . . . . 8 ALA O parsed_2mza 2 7 1 2 . . . . . . . . . 11 SEP H parsed_2mza 2 8 1 1 . . . . . . . . . 8 ALA O parsed_2mza 2 8 1 2 . . . . . . . . . 11 SEP N parsed_2mza 2 9 1 1 . . . . . . . . . 10 ARG O parsed_2mza 2 9 1 2 . . . . . . . . . 13 PHE H parsed_2mza 2 10 1 1 . . . . . . . . . 10 ARG O parsed_2mza 2 10 1 2 . . . . . . . . . 13 PHE N parsed_2mza 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 . . . . . . . 1.80 parsed_2mza 2 2 1 . . . . . . . 2.70 parsed_2mza 2 3 1 . . . . . . . 1.80 parsed_2mza 2 4 1 . . . . . . . 2.70 parsed_2mza 2 5 1 . . . . . . . 1.80 parsed_2mza 2 6 1 . . . . . . . 2.70 parsed_2mza 2 7 1 . . . . . . . 1.80 parsed_2mza 2 8 1 . . . . . . . 2.70 parsed_2mza 2 9 1 . . . . . . . 1.80 parsed_2mza 2 10 1 . . . . . . . 2.70 parsed_2mza 2 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2mza _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type "general distance" _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_2mza 3 2 1 . . . parsed_2mza 3 3 1 . . . parsed_2mza 3 4 1 . . . parsed_2mza 3 5 1 . . . parsed_2mza 3 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 . . . . . . . . . 14 PROO CD parsed_2mza 3 1 1 2 . . . . . . . . . 14 PROO CG parsed_2mza 3 2 1 1 . . . . . . . . . 14 PROO CD parsed_2mza 3 2 1 2 . . . . . . . . . 14 PROO CB parsed_2mza 3 3 1 1 . . . . . . . . . 14 PROO CD parsed_2mza 3 3 1 2 . . . . . . . . . 14 PROO HG2 parsed_2mza 3 4 1 1 . . . . . . . . . 14 PROO CG parsed_2mza 3 4 1 2 . . . . . . . . . 14 PROO N parsed_2mza 3 5 1 1 . . . . . . . . . 14 PROO CG parsed_2mza 3 5 1 2 . . . . . . . . . 14 PROO HD2 parsed_2mza 3 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 . . . . . . . 1.49 parsed_2mza 3 2 1 . . . . . . . 2.39 parsed_2mza 3 3 1 . . . . . . . 2.12 parsed_2mza 3 4 1 . . . . . . . 2.33 parsed_2mza 3 5 1 . . . . . . . 2.12 parsed_2mza 3 stop_ save_ save_DYANA/DIANA_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2mza _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 5 _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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 2 SER . . . . . . . . . . . . . parsed_2mza 1 2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 3 LYS . . . . . . . . . . . . . parsed_2mza 1 3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 4 ASP . . . . . . . . . . . . . parsed_2mza 1 4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 5 LEU . . . . . . . . . . . . . parsed_2mza 1 5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 6 ARG . . . . . . . . . . . . . parsed_2mza 1 6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 7 HIS . . . . . . . . . . . . . parsed_2mza 1 7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 8 ALA . . . . . . . . . . . . . parsed_2mza 1 8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 9 PHE . . . . . . . . . . . . . parsed_2mza 1 9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 10 ARG . . . . . . . . . . . . . parsed_2mza 1 10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 11 SEP . . . . . . . . . . . . . parsed_2mza 1 11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.0 -55.0 . . 12 MET . . . . . . . . . . . . . parsed_2mza 1 12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 13 PHE . . . . . . . . . . . . . parsed_2mza 1 13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.0 -40.0 . . 14 PROO . . . . . . . . . . . . . parsed_2mza 1 14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -30.0 30.0 . . 14 PROO . . . . . . . . . . . . . parsed_2mza 1 15 CHI2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 80.0 160.0 . . 14 PROO . . . . . . . . . . . . . parsed_2mza 1 16 CHI3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 50.0 80.0 . . 14 PROO . . . . . . . . . . . . . parsed_2mza 1 17 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 15 SER . . . . . . . . . . . . . parsed_2mza 1 18 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 16 SER . . . . . . . . . . . . . parsed_2mza 1 19 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -70.0 . . 17 GLU . . . . . . . . . . . . . parsed_2mza 1 stop_ save_
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