NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
589078 | 2n0n | 26537 | cing | 2-parsed | STAR | entry | full | 76 |
data_2n0n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n0n _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_2n0n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n0n _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 2n0n "Master copy" parsed_2n0n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n0n _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 2n0n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n0n 1 1 2n0n.mr . . XPLOR/CNS 2 distance NOE simple 66 parsed_2n0n 1 1 2n0n.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_2n0n 1 1 2n0n.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n0n 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_2n0n _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 10-MAR-15 2N0N *TITLE NMR SOLUTION STRUCTURE FOR LACTAM (5,9) 11MER *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTAM (5,9) 11MER PEPTIDE; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS DE NOVO PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR H.N.HOANG, K.SONG, T.A.HILL, D.R.DERKSEN, D.J.EDMONDS, W.M.KOK, *AUTHOR 2 C.LIMBERAKIS, S.LIRAS, P.M.LORIA, V.MASCITTI, A.M.MATHIOWETZ, *AUTHOR 3 J.M.MITCHELL, D.W.PIOTROWSKI, D.A.PRICE, R.V.STANTON, J.Y.SUEN, *AUTHOR 4 J.M.WITHKA, D.A.GRIFFITH, D.P.FAIRLIE *REVDAT 1 15-APR-15 2N0N 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n0n _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_2n0n 1 2 1 . . . parsed_2n0n 1 3 1 . . . parsed_2n0n 1 4 1 . . . parsed_2n0n 1 5 1 . . . parsed_2n0n 1 6 1 . . . parsed_2n0n 1 7 1 . . . parsed_2n0n 1 8 1 . . . parsed_2n0n 1 9 1 . . . parsed_2n0n 1 10 1 . . . parsed_2n0n 1 11 1 . . . parsed_2n0n 1 12 1 . . . parsed_2n0n 1 13 1 . . . parsed_2n0n 1 14 1 . . . parsed_2n0n 1 15 1 . . . parsed_2n0n 1 16 1 . . . parsed_2n0n 1 17 1 . . . parsed_2n0n 1 18 1 . . . parsed_2n0n 1 19 1 . . . parsed_2n0n 1 20 1 . . . parsed_2n0n 1 21 1 . . . parsed_2n0n 1 22 1 . . . parsed_2n0n 1 23 1 . . . parsed_2n0n 1 24 1 . . . parsed_2n0n 1 25 1 . . . parsed_2n0n 1 26 1 . . . parsed_2n0n 1 27 1 . . . parsed_2n0n 1 28 1 . . . parsed_2n0n 1 29 1 . . . parsed_2n0n 1 30 1 . . . parsed_2n0n 1 31 1 . . . parsed_2n0n 1 32 1 . . . parsed_2n0n 1 33 1 . . . parsed_2n0n 1 34 1 . . . parsed_2n0n 1 35 1 . . . parsed_2n0n 1 36 1 . . . parsed_2n0n 1 37 1 . . . parsed_2n0n 1 38 1 . . . parsed_2n0n 1 39 1 . . . parsed_2n0n 1 40 1 . . . parsed_2n0n 1 41 1 . . . parsed_2n0n 1 42 1 . . . parsed_2n0n 1 43 1 . . . parsed_2n0n 1 44 1 . . . parsed_2n0n 1 45 1 . . . parsed_2n0n 1 46 1 . . . parsed_2n0n 1 47 1 . . . parsed_2n0n 1 48 1 . . . parsed_2n0n 1 49 1 . . . parsed_2n0n 1 50 1 . . . parsed_2n0n 1 51 1 . . . parsed_2n0n 1 52 1 . . . parsed_2n0n 1 53 1 . . . parsed_2n0n 1 54 1 . . . parsed_2n0n 1 55 1 . . . parsed_2n0n 1 56 1 . . . parsed_2n0n 1 57 1 . . . parsed_2n0n 1 58 1 . . . parsed_2n0n 1 59 1 . . . parsed_2n0n 1 60 1 . . . parsed_2n0n 1 61 1 . . . parsed_2n0n 1 62 1 . . . parsed_2n0n 1 63 1 . . . parsed_2n0n 1 64 1 . . . parsed_2n0n 1 65 1 . . . parsed_2n0n 1 66 1 . . . parsed_2n0n 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 . HA parsed_2n0n 1 1 1 2 . . . . . . . . . 2 . HN parsed_2n0n 1 2 1 1 . . . . . . . . . 2 . HB* parsed_2n0n 1 2 1 2 . . . . . . . . . 3 . HN parsed_2n0n 1 3 1 1 . . . . . . . . . 2 . HB* parsed_2n0n 1 3 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1 4 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1 4 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1 5 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1 5 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1 6 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1 6 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1 7 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1 7 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 8 1 1 . . . . . . . . . 3 . HN parsed_2n0n 1 8 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1 9 1 1 . . . . . . . . . 3 . HB1 parsed_2n0n 1 9 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1 10 1 1 . . . . . . . . . 3 . HB2 parsed_2n0n 1 10 1 2 . . . . . . . . . 4 . HN parsed_2n0n 1 11 1 1 . . . . . . . . . 3 . HB1 parsed_2n0n 1 11 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1 12 1 1 . . . . . . . . . 3 . HA parsed_2n0n 1 12 1 2 . . . . . . . . . 6 . HB2 parsed_2n0n 1 13 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1 13 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1 14 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1 14 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1 15 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1 15 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 16 1 1 . . . . . . . . . 4 . HN parsed_2n0n 1 16 1 2 . . . . . . . . . 5 . HN parsed_2n0n 1 17 1 1 . . . . . . . . . 4 . HA1 parsed_2n0n 1 17 1 2 . . . . . . . . . 7 . HB parsed_2n0n 1 18 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 18 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1 19 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 19 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 20 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 20 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 21 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 21 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 22 1 1 . . . . . . . . . 5 . HN parsed_2n0n 1 22 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1 23 1 1 . . . . . . . . . 5 . HB* parsed_2n0n 1 23 1 2 . . . . . . . . . 6 . HN parsed_2n0n 1 24 1 1 . . . . . . . . . 5 . HB* parsed_2n0n 1 24 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 25 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 25 1 2 . . . . . . . . . 8 . HB* parsed_2n0n 1 26 1 1 . . . . . . . . . 5 . HZ1 parsed_2n0n 1 26 1 2 . . . . . . . . . 9 . HG1 parsed_2n0n 1 27 1 1 . . . . . . . . . 5 . HZ1 parsed_2n0n 1 27 1 2 . . . . . . . . . 9 . HG2 parsed_2n0n 1 28 1 1 . . . . . . . . . 5 . HA parsed_2n0n 1 28 1 2 . . . . . . . . . 5 . HZ1 parsed_2n0n 1 29 1 1 . . . . . . . . . 6 . HN parsed_2n0n 1 29 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 30 1 1 . . . . . . . . . 6 . HB1 parsed_2n0n 1 30 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 31 1 1 . . . . . . . . . 6 . HB2 parsed_2n0n 1 31 1 2 . . . . . . . . . 7 . HN parsed_2n0n 1 32 1 1 . . . . . . . . . 6 . HB2 parsed_2n0n 1 32 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 33 1 1 . . . . . . . . . 6 . HB1 parsed_2n0n 1 33 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 34 1 1 . . . . . . . . . 6 . HN parsed_2n0n 1 34 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 35 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1 35 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 36 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1 36 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 37 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1 37 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 38 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1 38 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 39 1 1 . . . . . . . . . 7 . HN parsed_2n0n 1 39 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 40 1 1 . . . . . . . . . 7 . HN parsed_2n0n 1 40 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 41 1 1 . . . . . . . . . 7 . HB parsed_2n0n 1 41 1 2 . . . . . . . . . 8 . HN parsed_2n0n 1 42 1 1 . . . . . . . . . 7 . HB parsed_2n0n 1 42 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 43 1 1 . . . . . . . . . 7 . HA parsed_2n0n 1 43 1 2 . . . . . . . . . 5 . HZ1 parsed_2n0n 1 44 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1 44 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 45 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1 45 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 46 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1 46 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 47 1 1 . . . . . . . . . 8 . HA parsed_2n0n 1 47 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1 48 1 1 . . . . . . . . . 8 . HN parsed_2n0n 1 48 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 49 1 1 . . . . . . . . . 8 . HB1 parsed_2n0n 1 49 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 50 1 1 . . . . . . . . . 8 . HB2 parsed_2n0n 1 50 1 2 . . . . . . . . . 9 . HN parsed_2n0n 1 51 1 1 . . . . . . . . . 8 . HB1 parsed_2n0n 1 51 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 52 1 1 . . . . . . . . . 8 . HB2 parsed_2n0n 1 52 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 53 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1 53 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 54 1 1 . . . . . . . . . 9 . HN parsed_2n0n 1 54 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 55 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1 55 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1 56 1 1 . . . . . . . . . 9 . HA parsed_2n0n 1 56 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 57 1 1 . . . . . . . . . 9 . HN parsed_2n0n 1 57 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 58 1 1 . . . . . . . . . 9 . HB1 parsed_2n0n 1 58 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 59 1 1 . . . . . . . . . 9 . HB2 parsed_2n0n 1 59 1 2 . . . . . . . . . 10 . HN parsed_2n0n 1 60 1 1 . . . . . . . . . 10 . HA parsed_2n0n 1 60 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 61 1 1 . . . . . . . . . 10 . HN parsed_2n0n 1 61 1 2 . . . . . . . . . 11 . HN parsed_2n0n 1 62 1 1 . . . . . . . . . 10 . HN parsed_2n0n 1 62 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1 63 1 1 . . . . . . . . . 11 . HA parsed_2n0n 1 63 1 2 . . . . . . . . . 11 . H1 parsed_2n0n 1 64 1 1 . . . . . . . . . 11 . HA parsed_2n0n 1 64 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 1 65 1 1 . . . . . . . . . 11 . HN parsed_2n0n 1 65 1 2 . . . . . . . . . 11 . H1 parsed_2n0n 1 66 1 1 . . . . . . . . . 11 . HN parsed_2n0n 1 66 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 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 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 2 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 3 1 . . . . . 0.0 0.0 6.5 parsed_2n0n 1 4 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 5 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 6 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 7 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 8 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 9 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 10 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 11 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 12 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 13 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 14 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 15 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 16 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 17 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 18 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 19 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 20 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 21 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 22 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 23 1 . . . . . 0.0 0.0 4.5 parsed_2n0n 1 24 1 . . . . . 0.0 0.0 7.0 parsed_2n0n 1 25 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 26 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 27 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 28 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 29 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 30 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 31 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 32 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 33 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 34 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 35 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 36 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 37 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 38 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 39 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 40 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 41 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 42 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 43 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 44 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 45 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 46 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 47 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 48 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 49 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 50 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 51 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 52 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 53 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 54 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 55 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 56 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 57 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 58 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 59 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 60 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 61 1 . . . . . 0.0 0.0 3.5 parsed_2n0n 1 62 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 63 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 64 1 . . . . . 0.0 0.0 6.0 parsed_2n0n 1 65 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 1 66 1 . . . . . 0.0 0.0 5.0 parsed_2n0n 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 ; DapARA-NH2 cyclic NOE Assignment Table (from visual inspection) H A E G T F T S D F F NH2 10(S) 9-7(M) 6-4 (W) and 3-1 (vW) H1 ; 1 1 5 4 parsed_2n0n 1 2 ; 2 vw aib2 ; 6 74 8 6 parsed_2n0n 1 3 "(10)s + 1.5 corr" 9 75 9 93 parsed_2n0n 1 4 ; (5)w + 1.5 corr E3 ; 10 75 12 4 parsed_2n0n 1 5 (9)m 13 76 13 82 parsed_2n0n 1 6 "3 vw" 14 76 14 82 parsed_2n0n 1 7 "3 vw" 15 80 15 86 parsed_2n0n 1 8 "1 vw" 16 80 16 86 parsed_2n0n 1 9 (8)m 17 76 17 82 parsed_2n0n 1 10 (4)w 18 76 18 82 parsed_2n0n 1 11 (4)w 19 76 19 82 parsed_2n0n 1 12 "1 vw" 20 77 20 83 parsed_2n0n 1 13 ; 1 vw G4 ; 21 81 23 4 parsed_2n0n 1 14 (6)w 24 80 24 86 parsed_2n0n 1 15 (2)vw 25 80 25 87 parsed_2n0n 1 16 (3)vw 26 80 26 87 parsed_2n0n 1 17 (7)m 27 80 27 86 parsed_2n0n 1 18 ; 2 vw K5 ; 28 81 30 4 parsed_2n0n 1 19 (6)w 31 79 31 85 parsed_2n0n 1 20 (5)w 32 79 32 85 parsed_2n0n 1 21 (4)w 33 79 33 85 parsed_2n0n 1 22 (1)w 34 79 34 85 parsed_2n0n 1 23 (9)m 35 79 35 85 parsed_2n0n 1 24 "(8)m +1" 36 79 36 89 parsed_2n0n 1 25 "(3)vw +1" 37 79 37 89 parsed_2n0n 1 26 "4 w+1" 38 79 38 87 parsed_2n0n 1 27 "8 m" 39 79 39 84 parsed_2n0n 1 28 "8 m" 40 79 40 84 parsed_2n0n 1 29 ; 5 w F6 ; 41 79 43 4 parsed_2n0n 1 30 "(8) m" 44 79 44 86 parsed_2n0n 1 31 (8)m 45 79 45 85 parsed_2n0n 1 32 "8 m" 46 79 46 84 parsed_2n0n 1 33 "3 vw" 47 79 47 85 parsed_2n0n 1 34 "1 vw" 48 79 48 85 parsed_2n0n 1 35 ; (2)vw T7 ; 49 79 51 4 parsed_2n0n 1 36 (6)w 52 79 52 85 parsed_2n0n 1 37 (3)vw 53 79 53 86 parsed_2n0n 1 38 (5)w 54 79 54 85 parsed_2n0n 1 39 (5)w 55 79 55 85 parsed_2n0n 1 40 (8)m 56 79 56 85 parsed_2n0n 1 41 (2)vw 57 79 57 86 parsed_2n0n 1 42 (5)w 58 79 58 85 parsed_2n0n 1 43 (1)vw 59 79 59 86 parsed_2n0n 1 44 ; (5 w S8 ; 60 80 63 4 parsed_2n0n 1 45 (6)w 64 79 64 85 parsed_2n0n 1 46 (2)vw 65 79 65 86 parsed_2n0n 1 47 (3)vw 66 79 66 86 parsed_2n0n 1 48 (1)vw 67 79 67 87 parsed_2n0n 1 49 (8)m 68 79 68 85 parsed_2n0n 1 50 "(5 w" 69 79 69 85 parsed_2n0n 1 51 "(5 w" 70 79 70 85 parsed_2n0n 1 52 "(1 vw" 71 80 71 87 parsed_2n0n 1 53 ; (1 vw D9 ; 72 80 75 4 parsed_2n0n 1 54 "(7 m" 76 79 76 85 parsed_2n0n 1 55 (8)m 77 79 77 85 parsed_2n0n 1 56 "3 vw" 78 79 78 85 parsed_2n0n 1 57 "3 vw" 79 79 79 85 parsed_2n0n 1 58 "2 vw" 80 79 80 85 parsed_2n0n 1 59 (6)w 81 80 81 86 parsed_2n0n 1 60 ; (6)w F10 ; 82 80 85 5 parsed_2n0n 1 61 (4)w 86 79 86 85 parsed_2n0n 1 62 (8)m 87 79 87 85 parsed_2n0n 1 63 ; (3)vw F11 ; 88 79 91 5 parsed_2n0n 1 64 3)w 92 79 92 85 parsed_2n0n 1 65 3)w 93 79 93 84 parsed_2n0n 1 66 (5)m 94 79 94 86 parsed_2n0n 1 67 (5)w 95 79 95 85 parsed_2n0n 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n0n _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_2n0n 2 2 1 . . . parsed_2n0n 2 3 1 . . . parsed_2n0n 2 4 1 . . . parsed_2n0n 2 5 1 . . . parsed_2n0n 2 6 1 . . . parsed_2n0n 2 7 1 . . . parsed_2n0n 2 8 1 . . . parsed_2n0n 2 9 1 . . . parsed_2n0n 2 10 1 . . . parsed_2n0n 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 . . . . . . . . . 2 . O parsed_2n0n 2 1 1 2 . . . . . . . . . 5 . HN parsed_2n0n 2 2 1 1 . . . . . . . . . 2 . O parsed_2n0n 2 2 1 2 . . . . . . . . . 5 . N parsed_2n0n 2 3 1 1 . . . . . . . . . 4 . O parsed_2n0n 2 3 1 2 . . . . . . . . . 8 . HN parsed_2n0n 2 4 1 1 . . . . . . . . . 4 . O parsed_2n0n 2 4 1 2 . . . . . . . . . 8 . N parsed_2n0n 2 5 1 1 . . . . . . . . . 6 . O parsed_2n0n 2 5 1 2 . . . . . . . . . 10 . HN parsed_2n0n 2 6 1 1 . . . . . . . . . 6 . O parsed_2n0n 2 6 1 2 . . . . . . . . . 10 . N parsed_2n0n 2 7 1 1 . . . . . . . . . 5 . O parsed_2n0n 2 7 1 2 . . . . . . . . . 9 . HN parsed_2n0n 2 8 1 1 . . . . . . . . . 5 . O parsed_2n0n 2 8 1 2 . . . . . . . . . 9 . N parsed_2n0n 2 9 1 1 . . . . . . . . . 8 . O parsed_2n0n 2 9 1 2 . . . . . . . . . 11 . H2 parsed_2n0n 2 10 1 1 . . . . . . . . . 8 . O parsed_2n0n 2 10 1 2 . . . . . . . . . 11 . NT parsed_2n0n 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 . . . . . 1.88 1.58 2.50 parsed_2n0n 2 2 1 . . . . . 2.88 2.58 3.50 parsed_2n0n 2 3 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2 4 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2 5 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2 6 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2 7 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2 8 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 2 9 1 . . . . . 1.88 1.58 2.30 parsed_2n0n 2 10 1 . . . . . 2.88 2.58 3.30 parsed_2n0n 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 ; H-Bonds assign (resid 2 and name O )(resid 5 and name HN ) 1.88 0.3 0.42 assign (resid 2 and name O )(resid 5 and name N ) 2.88 0.3 0.42 assign (resid 5 and name O )(resid 8 and name HN ) 1.88 0.3 0.42 assign (resid 5 and name O )(resid 8 and name N ) 2.88 0.3 0.42 assign (resid 7 and name O )(resid 10 and name HN ) 1.88 0.3 0.42 assign (resid 7 and name O )(resid 10 and name N ) 2.88 0.3 0.42 assign (resid 2 and name O )(resid 4 and name HN ) 1.88 0.3 0.42 assign (resid 2 and name O )(resid 4 and name N ) 2.88 0.3 0.42 assign (resid 6 and name O )(resid 9 and name HN ) 1.88 0.3 0.42 assign (resid 6 and name O )(resid 9 and name N ) 2.88 0.3 0.42 assign (resid 9 and name O )(resid 11 and name H1 ) 1.88 0.3 0.42 assign (resid 9 and name O )(resid 11 and name NT ) 2.88 0.3 0.42 ; 1 1 19 77 parsed_2n0n 2 2 ; assign (resid 1 and name O )(resid 4 and name HN ) 1.88 0.3 0.42 assign (resid 1 and name O )(resid 4 and name N ) 2.88 0.3 0.42 ; 30 1 31 75 parsed_2n0n 2 stop_ save_
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