NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
589054 | 2n08 | 25517 | cing | 2-parsed | STAR | entry | full | 91 |
data_2n08_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2n08 _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_2n08 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2n08 _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 2n08 "Master copy" parsed_2n08 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2n08 _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 2n08.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n08 1 1 2n08.mr . . XPLOR/CNS 2 distance NOE simple 81 parsed_2n08 1 1 2n08.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 10 parsed_2n08 1 1 2n08.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n08 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_2n08 _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 04-MAR-15 2N08 *TITLE NMR STRUCTURE OF A SHORT HYDROPHOBIC 11MER PEPTIDE IN 25 MM SDS *TITLE 2 SOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: SHORT HYDROPHOBIC PEPTIDE WITH CYCLIC CONSTRAINTS; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES *KEYWDS HYDROPHOBIC PEPTIDE, GLP-1R AGONIST, 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 2N08 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n08 _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_2n08 1 2 1 . . . parsed_2n08 1 3 1 . . . parsed_2n08 1 4 1 . . . parsed_2n08 1 5 1 . . . parsed_2n08 1 6 1 . . . parsed_2n08 1 7 1 . . . parsed_2n08 1 8 1 . . . parsed_2n08 1 9 1 . . . parsed_2n08 1 10 1 . . . parsed_2n08 1 11 1 . . . parsed_2n08 1 12 1 . . . parsed_2n08 1 13 1 . . . parsed_2n08 1 14 1 . . . parsed_2n08 1 15 1 . . . parsed_2n08 1 16 1 . . . parsed_2n08 1 17 1 . . . parsed_2n08 1 18 1 . . . parsed_2n08 1 19 1 . . . parsed_2n08 1 20 1 . . . parsed_2n08 1 21 1 . . . parsed_2n08 1 22 1 . . . parsed_2n08 1 23 1 . . . parsed_2n08 1 24 1 . . . parsed_2n08 1 25 1 . . . parsed_2n08 1 26 1 . . . parsed_2n08 1 27 1 . . . parsed_2n08 1 28 1 . . . parsed_2n08 1 29 1 . . . parsed_2n08 1 30 1 . . . parsed_2n08 1 31 1 . . . parsed_2n08 1 32 1 . . . parsed_2n08 1 33 1 . . . parsed_2n08 1 34 1 . . . parsed_2n08 1 35 1 . . . parsed_2n08 1 36 1 . . . parsed_2n08 1 37 1 . . . parsed_2n08 1 38 1 . . . parsed_2n08 1 39 1 . . . parsed_2n08 1 40 1 . . . parsed_2n08 1 41 1 . . . parsed_2n08 1 42 1 . . . parsed_2n08 1 43 1 . . . parsed_2n08 1 44 1 . . . parsed_2n08 1 45 1 . . . parsed_2n08 1 46 1 . . . parsed_2n08 1 47 1 . . . parsed_2n08 1 48 1 . . . parsed_2n08 1 49 1 . . . parsed_2n08 1 50 1 . . . parsed_2n08 1 51 1 . . . parsed_2n08 1 52 1 . . . parsed_2n08 1 53 1 . . . parsed_2n08 1 54 1 . . . parsed_2n08 1 55 1 . . . parsed_2n08 1 56 1 . . . parsed_2n08 1 57 1 . . . parsed_2n08 1 58 1 . . . parsed_2n08 1 59 1 . . . parsed_2n08 1 60 1 . . . parsed_2n08 1 61 1 . . . parsed_2n08 1 62 1 . . . parsed_2n08 1 63 1 . . . parsed_2n08 1 64 1 . . . parsed_2n08 1 65 1 . . . parsed_2n08 1 66 1 . . . parsed_2n08 1 67 1 . . . parsed_2n08 1 68 1 . . . parsed_2n08 1 69 1 . . . parsed_2n08 1 70 1 . . . parsed_2n08 1 71 1 . . . parsed_2n08 1 72 1 . . . parsed_2n08 1 73 1 . . . parsed_2n08 1 74 1 . . . parsed_2n08 1 75 1 . . . parsed_2n08 1 76 1 . . . parsed_2n08 1 77 1 . . . parsed_2n08 1 78 1 . . . parsed_2n08 1 79 1 . . . parsed_2n08 1 80 1 . . . parsed_2n08 1 81 1 . . . parsed_2n08 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_2n08 1 1 1 2 . . . . . . . . . 2 . HN parsed_2n08 1 2 1 1 . . . . . . . . . 1 . HA parsed_2n08 1 2 1 2 . . . . . . . . . 3 . HN parsed_2n08 1 3 1 1 . . . . . . . . . 1 . HA parsed_2n08 1 3 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 4 1 1 . . . . . . . . . 1 . HB1 parsed_2n08 1 4 1 2 . . . . . . . . . 2 . HN parsed_2n08 1 5 1 1 . . . . . . . . . 1 . HB2 parsed_2n08 1 5 1 2 . . . . . . . . . 2 . HN parsed_2n08 1 6 1 1 . . . . . . . . . 1 . HA parsed_2n08 1 6 1 2 . . . . . . . . . 2 . HB* parsed_2n08 1 7 1 1 . . . . . . . . . 2 . HN parsed_2n08 1 7 1 2 . . . . . . . . . 3 . HN parsed_2n08 1 8 1 1 . . . . . . . . . 2 . HB* parsed_2n08 1 8 1 2 . . . . . . . . . 3 . HN parsed_2n08 1 9 1 1 . . . . . . . . . 2 . HB* parsed_2n08 1 9 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 10 1 1 . . . . . . . . . 2 . HB* parsed_2n08 1 10 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 11 1 1 . . . . . . . . . 3 . HA parsed_2n08 1 11 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 12 1 1 . . . . . . . . . 3 . HA parsed_2n08 1 12 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 13 1 1 . . . . . . . . . 3 . HA parsed_2n08 1 13 1 2 . . . . . . . . . 6 . HN parsed_2n08 1 14 1 1 . . . . . . . . . 3 . HA parsed_2n08 1 14 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 15 1 1 . . . . . . . . . 3 . HN parsed_2n08 1 15 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 16 1 1 . . . . . . . . . 3 . HN parsed_2n08 1 16 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 17 1 1 . . . . . . . . . 3 . HB1 parsed_2n08 1 17 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 18 1 1 . . . . . . . . . 3 . HB2 parsed_2n08 1 18 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 19 1 1 . . . . . . . . . 3 . HA parsed_2n08 1 19 1 2 . . . . . . . . . 2 . HB* parsed_2n08 1 20 1 1 . . . . . . . . . 4 . HA1 parsed_2n08 1 20 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 21 1 1 . . . . . . . . . 4 . HA1 parsed_2n08 1 21 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 22 1 1 . . . . . . . . . 4 . HA1 parsed_2n08 1 22 1 2 . . . . . . . . . 8 . HN parsed_2n08 1 23 1 1 . . . . . . . . . 4 . HN parsed_2n08 1 23 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 24 1 1 . . . . . . . . . 4 . HA1 parsed_2n08 1 24 1 2 . . . . . . . . . 5 . HB parsed_2n08 1 25 1 1 . . . . . . . . . 4 . HA1 parsed_2n08 1 25 1 2 . . . . . . . . . 7 . HB parsed_2n08 1 26 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 26 1 2 . . . . . . . . . 6 . HN parsed_2n08 1 27 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 27 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 28 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 28 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 29 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 29 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 30 1 1 . . . . . . . . . 5 . HN parsed_2n08 1 30 1 2 . . . . . . . . . 6 . HN parsed_2n08 1 31 1 1 . . . . . . . . . 5 . HN parsed_2n08 1 31 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 32 1 1 . . . . . . . . . 5 . HB parsed_2n08 1 32 1 2 . . . . . . . . . 6 . HN parsed_2n08 1 33 1 1 . . . . . . . . . 5 . HB parsed_2n08 1 33 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 34 1 1 . . . . . . . . . 5 . HB parsed_2n08 1 34 1 2 . . . . . . . . . 8 . HN parsed_2n08 1 35 1 1 . . . . . . . . . 5 . HB parsed_2n08 1 35 1 2 . . . . . . . . . 4 . HN parsed_2n08 1 36 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 36 1 2 . . . . . . . . . 7 . HB parsed_2n08 1 37 1 1 . . . . . . . . . 5 . HA parsed_2n08 1 37 1 2 . . . . . . . . . 6 . HB* parsed_2n08 1 38 1 1 . . . . . . . . . 6 . HN parsed_2n08 1 38 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 39 1 1 . . . . . . . . . 6 . HB1 parsed_2n08 1 39 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 40 1 1 . . . . . . . . . 6 . HB1 parsed_2n08 1 40 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 41 1 1 . . . . . . . . . 6 . HB2 parsed_2n08 1 41 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 42 1 1 . . . . . . . . . 6 . HB2 parsed_2n08 1 42 1 2 . . . . . . . . . 5 . HN parsed_2n08 1 43 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 43 1 2 . . . . . . . . . 8 . HN parsed_2n08 1 44 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 44 1 2 . . . . . . . . . 9 . HN parsed_2n08 1 45 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 45 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 46 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 46 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 47 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 47 1 2 . . . . . . . . . 6 . HN parsed_2n08 1 48 1 1 . . . . . . . . . 7 . HN parsed_2n08 1 48 1 2 . . . . . . . . . 8 . HN parsed_2n08 1 49 1 1 . . . . . . . . . 7 . HN parsed_2n08 1 49 1 2 . . . . . . . . . 9 . HN parsed_2n08 1 50 1 1 . . . . . . . . . 7 . HB parsed_2n08 1 50 1 2 . . . . . . . . . 8 . HN parsed_2n08 1 51 1 1 . . . . . . . . . 7 . HA parsed_2n08 1 51 1 2 . . . . . . . . . 10 . HB* parsed_2n08 1 52 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 52 1 2 . . . . . . . . . 9 . HN parsed_2n08 1 53 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 53 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 54 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 54 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 55 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 55 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 56 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 56 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 57 1 1 . . . . . . . . . 8 . HA parsed_2n08 1 57 1 2 . . . . . . . . . 11 . H2 parsed_2n08 1 58 1 1 . . . . . . . . . 8 . HN parsed_2n08 1 58 1 2 . . . . . . . . . 9 . HN parsed_2n08 1 59 1 1 . . . . . . . . . 8 . HB* parsed_2n08 1 59 1 2 . . . . . . . . . 9 . HN parsed_2n08 1 60 1 1 . . . . . . . . . 8 . HB* parsed_2n08 1 60 1 2 . . . . . . . . . 7 . HN parsed_2n08 1 61 1 1 . . . . . . . . . 9 . HA parsed_2n08 1 61 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 62 1 1 . . . . . . . . . 9 . HN parsed_2n08 1 62 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 63 1 1 . . . . . . . . . 9 . HB1 parsed_2n08 1 63 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 64 1 1 . . . . . . . . . 9 . HB2 parsed_2n08 1 64 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 65 1 1 . . . . . . . . . 9 . HB2 parsed_2n08 1 65 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 66 1 1 . . . . . . . . . 9 . HB1 parsed_2n08 1 66 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 67 1 1 . . . . . . . . . 10 . HA parsed_2n08 1 67 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 68 1 1 . . . . . . . . . 10 . HA parsed_2n08 1 68 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 69 1 1 . . . . . . . . . 10 . HN parsed_2n08 1 69 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 70 1 1 . . . . . . . . . 10 . HN parsed_2n08 1 70 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 71 1 1 . . . . . . . . . 10 . HB1 parsed_2n08 1 71 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 72 1 1 . . . . . . . . . 10 . HB2 parsed_2n08 1 72 1 2 . . . . . . . . . 11 . HN parsed_2n08 1 73 1 1 . . . . . . . . . 11 . HA parsed_2n08 1 73 1 2 . . . . . . . . . 10 . HN parsed_2n08 1 74 1 1 . . . . . . . . . 11 . HA parsed_2n08 1 74 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 75 1 1 . . . . . . . . . 11 . HA parsed_2n08 1 75 1 2 . . . . . . . . . 11 . H2 parsed_2n08 1 76 1 1 . . . . . . . . . 11 . HN parsed_2n08 1 76 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 77 1 1 . . . . . . . . . 11 . HN parsed_2n08 1 77 1 2 . . . . . . . . . 11 . H2 parsed_2n08 1 78 1 1 . . . . . . . . . 11 . HB1 parsed_2n08 1 78 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 79 1 1 . . . . . . . . . 11 . HB1 parsed_2n08 1 79 1 2 . . . . . . . . . 11 . H2 parsed_2n08 1 80 1 1 . . . . . . . . . 11 . HB2 parsed_2n08 1 80 1 2 . . . . . . . . . 11 . H1 parsed_2n08 1 81 1 1 . . . . . . . . . 11 . HB2 parsed_2n08 1 81 1 2 . . . . . . . . . 11 . H2 parsed_2n08 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 2.7 parsed_2n08 1 2 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 3 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 4 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 5 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 6 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 7 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 8 1 . . . . . 0.0 0.0 4.2 parsed_2n08 1 9 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 10 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 11 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 12 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 13 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 14 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 15 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 16 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 17 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 18 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 19 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 20 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 21 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 22 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 23 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 24 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 25 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 26 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 27 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 28 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 29 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 30 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 31 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 32 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 33 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 34 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 35 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 36 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 37 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 38 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 39 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 40 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 41 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 42 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 43 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 44 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 45 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 46 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 47 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 48 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 49 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 50 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 51 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 52 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 53 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 54 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 55 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 56 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 57 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 58 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 59 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 60 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 61 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 62 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 63 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 64 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 65 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 66 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 67 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 68 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 69 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 70 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 71 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 72 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 73 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 74 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 75 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 76 1 . . . . . 0.0 0.0 3.5 parsed_2n08 1 77 1 . . . . . 0.0 0.0 5.0 parsed_2n08 1 78 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 79 1 . . . . . 0.0 0.0 6.0 parsed_2n08 1 80 1 . . . . . 0.0 0.0 3.0 parsed_2n08 1 81 1 . . . . . 0.0 0.0 6.0 parsed_2n08 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 10-9(S) 8-6(M) 5-3 (W) and 2-1 (vW) H1 ; 1 1 5 4 parsed_2n08 1 2 (10)s 6 74 6 81 parsed_2n08 1 3 (2)vw 7 74 7 81 parsed_2n08 1 4 "(2)vw, ov" 8 74 8 85 parsed_2n08 1 5 (6)m 9 74 9 80 parsed_2n08 1 6 (5)w 10 74 10 80 parsed_2n08 1 7 ; (7)m + 1.5 corr A2 ; 11 75 13 4 parsed_2n08 1 8 (5)w 14 75 14 81 parsed_2n08 1 9 "(9)s + 1.5 corr" 15 75 15 92 parsed_2n08 1 10 "(5)w + 1.0 corr" 16 75 16 92 parsed_2n08 1 11 ; (2)vw + no corr E3 ; 17 75 19 4 parsed_2n08 1 12 (8)m 20 76 20 82 parsed_2n08 1 13 "(ov correted" 21 76 21 90 parsed_2n08 1 14 "(1) vw" 22 76 22 84 parsed_2n08 1 15 "(1) vw" 23 76 23 84 parsed_2n08 1 16 (6)m 24 76 24 82 parsed_2n08 1 17 (1)vw 25 76 25 83 parsed_2n08 1 18 (4)w 26 76 26 82 parsed_2n08 1 19 (4)w 27 76 27 82 parsed_2n08 1 20 ; (2 vw no corr G4 ; 28 77 30 4 parsed_2n08 1 21 (6)m 31 80 31 86 parsed_2n08 1 22 (1)vw 32 80 32 87 parsed_2n08 1 23 "(1)vw, ov" 33 80 33 91 parsed_2n08 1 24 (6)m 34 80 34 86 parsed_2n08 1 25 "(2 vw" 35 80 35 87 parsed_2n08 1 26 ; (2 vw T5 ; 36 80 38 4 parsed_2n08 1 27 (5)w 39 79 39 85 parsed_2n08 1 28 (3)w 40 79 40 85 parsed_2n08 1 29 (3)w 41 79 41 85 parsed_2n08 1 30 (2)w 42 79 42 85 parsed_2n08 1 31 (4)w 43 79 43 85 parsed_2n08 1 32 (3)w 44 79 44 85 parsed_2n08 1 33 (4)w 45 79 45 85 parsed_2n08 1 34 (2)vw 46 79 46 86 parsed_2n08 1 35 (2)vw 47 79 47 86 parsed_2n08 1 36 (1)vw 48 79 48 86 parsed_2n08 1 37 (3)w 49 79 49 85 parsed_2n08 1 38 ; (1 vw no corr F6 ; 50 80 52 4 parsed_2n08 1 39 (4)w 53 79 53 85 parsed_2n08 1 40 (6)m 54 79 54 85 parsed_2n08 1 41 "(2 vw" 55 79 55 86 parsed_2n08 1 42 "(5 w" 56 79 56 85 parsed_2n08 1 43 ; (2 vw T7 ; 57 79 59 4 parsed_2n08 1 44 (6)m 60 79 60 85 parsed_2n08 1 45 (3)w 61 79 61 85 parsed_2n08 1 46 (3)w 62 79 62 85 parsed_2n08 1 47 "(1)vw ov" 63 79 63 89 parsed_2n08 1 48 (1)vw 64 79 64 87 parsed_2n08 1 49 "(6)m, ov" 65 79 65 89 parsed_2n08 1 50 (2)vw 66 79 66 86 parsed_2n08 1 51 (6)m 67 79 67 85 parsed_2n08 1 52 ; (1 vw no corr assi(resi 7 and name HA )(resi 5 and name HB ) 0.0 0.0 6.0 ! (2 vw S8 ; 68 80 71 4 parsed_2n08 1 53 (5)w 72 79 72 85 parsed_2n08 1 54 (2)vw 73 79 73 86 parsed_2n08 1 55 "(2)vw ov" 74 79 74 89 parsed_2n08 1 56 (2)vw 75 79 75 87 parsed_2n08 1 57 (3)w 76 79 76 86 parsed_2n08 1 58 (1)vw 77 79 77 87 parsed_2n08 1 59 (7)m 78 79 78 85 parsed_2n08 1 60 "(4 w + 1 corr" 79 79 79 94 parsed_2n08 1 61 ; (1 v w + no corr D9 ; 80 79 82 4 parsed_2n08 1 62 "(1)vw ov" 83 79 83 89 parsed_2n08 1 63 (7)m 84 79 84 85 parsed_2n08 1 64 (4)w 85 80 85 86 parsed_2n08 1 65 (3)w 86 80 86 86 parsed_2n08 1 66 "(2 vw" 87 80 87 87 parsed_2n08 1 67 ; (2 vw F10 ; 88 80 90 5 parsed_2n08 1 68 (6)m 91 79 91 85 parsed_2n08 1 69 "(1)vw ov" 92 79 92 89 parsed_2n08 1 70 (6)m 93 79 93 85 parsed_2n08 1 71 (1)vw 94 79 94 87 parsed_2n08 1 72 "(4 w" 95 80 95 86 parsed_2n08 1 73 ; (4 w F11 ; 96 80 98 5 parsed_2n08 1 74 (2)vw 99 79 99 86 parsed_2n08 1 75 (4)w 100 79 100 86 parsed_2n08 1 76 (3)w 101 79 101 85 parsed_2n08 1 77 (6)m 102 79 102 86 parsed_2n08 1 78 (4)w 103 79 103 85 parsed_2n08 1 79 "(2 vw" 104 80 104 87 parsed_2n08 1 80 "(2 vw" 105 80 105 87 parsed_2n08 1 81 (3w 106 80 106 85 parsed_2n08 1 82 "(1 vw" 107 80 107 87 parsed_2n08 1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2n08 _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_2n08 2 2 1 . . . parsed_2n08 2 3 1 . . . parsed_2n08 2 4 1 . . . parsed_2n08 2 5 1 . . . parsed_2n08 2 6 1 . . . parsed_2n08 2 7 1 . . . parsed_2n08 2 8 1 . . . parsed_2n08 2 9 1 . . . parsed_2n08 2 10 1 . . . parsed_2n08 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 . . . . . . . . . 1 . O parsed_2n08 2 1 1 2 . . . . . . . . . 5 . HN parsed_2n08 2 2 1 1 . . . . . . . . . 1 . O parsed_2n08 2 2 1 2 . . . . . . . . . 5 . N parsed_2n08 2 3 1 1 . . . . . . . . . 4 . O parsed_2n08 2 3 1 2 . . . . . . . . . 8 . HN parsed_2n08 2 4 1 1 . . . . . . . . . 4 . O parsed_2n08 2 4 1 2 . . . . . . . . . 8 . N parsed_2n08 2 5 1 1 . . . . . . . . . 6 . O parsed_2n08 2 5 1 2 . . . . . . . . . 10 . HN parsed_2n08 2 6 1 1 . . . . . . . . . 6 . O parsed_2n08 2 6 1 2 . . . . . . . . . 10 . N parsed_2n08 2 7 1 1 . . . . . . . . . 5 . O parsed_2n08 2 7 1 2 . . . . . . . . . 9 . HN parsed_2n08 2 8 1 1 . . . . . . . . . 5 . O parsed_2n08 2 8 1 2 . . . . . . . . . 9 . N parsed_2n08 2 9 1 1 . . . . . . . . . 8 . O parsed_2n08 2 9 1 2 . . . . . . . . . 11 . H1 parsed_2n08 2 10 1 1 . . . . . . . . . 8 . O parsed_2n08 2 10 1 2 . . . . . . . . . 11 . NT parsed_2n08 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 2.30 parsed_2n08 2 2 1 . . . . . 2.88 2.58 3.30 parsed_2n08 2 3 1 . . . . . 1.88 1.58 2.30 parsed_2n08 2 4 1 . . . . . 2.88 2.58 3.30 parsed_2n08 2 5 1 . . . . . 1.88 1.58 2.30 parsed_2n08 2 6 1 . . . . . 2.88 2.58 3.30 parsed_2n08 2 7 1 . . . . . 1.88 1.58 2.30 parsed_2n08 2 8 1 . . . . . 2.88 2.58 3.30 parsed_2n08 2 9 1 . . . . . 1.88 1.58 2.30 parsed_2n08 2 10 1 . . . . . 2.88 2.58 3.30 parsed_2n08 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 1 1 1 9 parsed_2n08 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 ; 12 1 13 75 parsed_2n08 2 stop_ save_
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