NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
34005 | 1j8n | 5111 | cing | 2-parsed | STAR | entry | full | 164 |
data_1j8n_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1j8n _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_1j8n 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1j8n _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 1j8n "Master copy" parsed_1j8n stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1j8n _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 1j8n.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1j8n 1 1 1j8n.mr . . DYANA/DIANA 2 distance NOE simple 79 parsed_1j8n 1 1 1j8n.mr . . DYANA/DIANA 3 distance "disulfide bond" simple 3 parsed_1j8n 1 1 1j8n.mr . . DYANA/DIANA 4 distance NOE simple 79 parsed_1j8n 1 1 1j8n.mr . . DYANA/DIANA 5 distance "disulfide bond" simple 3 parsed_1j8n 1 1 1j8n.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1j8n 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_1j8n _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 VIRUS/VIRAL PROTEIN 22-MAY-01 1J8N *TITLE SOLUTION STRUCTURE OF BETA3-ANALOGUE PEPTIDE CORRESPONDING *TITLE 2 TO THE GP41 600-612 LOOP OF HIV. *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: HIV1 GP41 HSER ANALOGUE PEPTIDE ACE-ILE-TRP-GLY- *COMPND 3 CYS-BETA3SER-GLY-LYS-LEU-ILE-CYS-THR-THR-ALA; *COMPND 4 CHAIN: A; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: THE PARENT SEQUENCE IWGCSGKLICTTA OCCURS IN *SOURCE 4 HIV GP41 PROTEIN. THIS ANALOGUE CONTAINS A MODIFIED *SOURCE 5 RESIDUE BSE WHICH IS A BETA3-SER (I.E. WITH AN ADDITIONAL *SOURCE 6 CH2 BETWEEN NH AND CALPHA). *KEYWDS BETA PEPTIDE, GP41, CYCLIC PEPTIDE *EXPDTA NMR, 27 STRUCTURES *AUTHOR A.PHAN CHAN DU, D.LIMAL, V.SEMETEY, H.DALI, M.JOLIVET, *AUTHOR 2 C.DESGRANGES, M.T.CUNG, J.P.BRIAND, M.C.PETIT, S.MULLER *REVDAT 1 01-JUL-03 1J8N 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1j8n _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_1j8n 1 2 1 . . . parsed_1j8n 1 3 1 . . . parsed_1j8n 1 4 1 . . . parsed_1j8n 1 5 1 . . . parsed_1j8n 1 6 1 . . . parsed_1j8n 1 7 1 . . . parsed_1j8n 1 8 1 . . . parsed_1j8n 1 9 1 . . . parsed_1j8n 1 10 1 . . . parsed_1j8n 1 11 1 . . . parsed_1j8n 1 12 1 . . . parsed_1j8n 1 13 1 . . . parsed_1j8n 1 14 1 . . . parsed_1j8n 1 15 1 . . . parsed_1j8n 1 16 1 . . . parsed_1j8n 1 17 1 . . . parsed_1j8n 1 18 1 . . . parsed_1j8n 1 19 1 . . . parsed_1j8n 1 20 1 . . . parsed_1j8n 1 21 1 . . . parsed_1j8n 1 22 1 . . . parsed_1j8n 1 23 1 . . . parsed_1j8n 1 24 1 . . . parsed_1j8n 1 25 1 . . . parsed_1j8n 1 26 1 . . . parsed_1j8n 1 27 1 . . . parsed_1j8n 1 28 1 . . . parsed_1j8n 1 29 1 . . . parsed_1j8n 1 30 1 . . . parsed_1j8n 1 31 1 . . . parsed_1j8n 1 32 1 . . . parsed_1j8n 1 33 1 . . . parsed_1j8n 1 34 1 . . . parsed_1j8n 1 35 1 . . . parsed_1j8n 1 36 1 . . . parsed_1j8n 1 37 1 . . . parsed_1j8n 1 38 1 . . . parsed_1j8n 1 39 1 . . . parsed_1j8n 1 40 1 . . . parsed_1j8n 1 41 1 . . . parsed_1j8n 1 42 1 . . . parsed_1j8n 1 43 1 . . . parsed_1j8n 1 44 1 . . . parsed_1j8n 1 45 1 . . . parsed_1j8n 1 46 1 . . . parsed_1j8n 1 47 1 . . . parsed_1j8n 1 48 1 . . . parsed_1j8n 1 49 1 . . . parsed_1j8n 1 50 1 . . . parsed_1j8n 1 51 1 . . . parsed_1j8n 1 52 1 . . . parsed_1j8n 1 53 1 . . . parsed_1j8n 1 54 1 . . . parsed_1j8n 1 55 1 . . . parsed_1j8n 1 56 1 . . . parsed_1j8n 1 57 1 . . . parsed_1j8n 1 58 1 . . . parsed_1j8n 1 59 1 . . . parsed_1j8n 1 60 1 . . . parsed_1j8n 1 61 1 . . . parsed_1j8n 1 62 1 . . . parsed_1j8n 1 63 1 . . . parsed_1j8n 1 64 1 . . . parsed_1j8n 1 65 1 . . . parsed_1j8n 1 66 1 . . . parsed_1j8n 1 67 1 . . . parsed_1j8n 1 68 1 . . . parsed_1j8n 1 69 1 . . . parsed_1j8n 1 70 1 . . . parsed_1j8n 1 71 1 . . . parsed_1j8n 1 72 1 . . . parsed_1j8n 1 73 1 . . . parsed_1j8n 1 74 1 . . . parsed_1j8n 1 75 1 . . . parsed_1j8n 1 76 1 . . . parsed_1j8n 1 77 1 . . . parsed_1j8n 1 78 1 . . . parsed_1j8n 1 79 1 . . . parsed_1j8n 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 . . . . . . . . . 2 ILE HN parsed_1j8n 1 1 1 2 . . . . . . . . . 2 ILE HA parsed_1j8n 1 2 1 1 . . . . . . . . . 2 ILE HN parsed_1j8n 1 2 1 2 . . . . . . . . . 2 ILE HB parsed_1j8n 1 3 1 1 . . . . . . . . . 2 ILE HA parsed_1j8n 1 3 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1 4 1 1 . . . . . . . . . 2 ILE HB parsed_1j8n 1 4 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1 5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1j8n 1 5 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 1 6 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1 6 1 2 . . . . . . . . . 3 TRP HA parsed_1j8n 1 7 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1 7 1 2 . . . . . . . . . 3 TRP QB parsed_1j8n 1 8 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 1 8 1 2 . . . . . . . . . 3 TRP HD1 parsed_1j8n 1 9 1 1 . . . . . . . . . 3 TRP HA parsed_1j8n 1 9 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 1 10 1 1 . . . . . . . . . 3 TRP QB parsed_1j8n 1 10 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 1 11 1 1 . . . . . . . . . 4 GLY HN parsed_1j8n 1 11 1 2 . . . . . . . . . 4 GLY QA parsed_1j8n 1 12 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 1 12 1 2 . . . . . . . . . 5 CYSS HN parsed_1j8n 1 13 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 1 13 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 1 14 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 1 14 1 2 . . . . . . . . . 5 CYSS HA parsed_1j8n 1 15 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 1 15 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 1 16 1 1 . . . . . . . . . 5 CYSS HA parsed_1j8n 1 16 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 1 17 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1 17 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 1 18 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1 18 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 1 19 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 1 19 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 20 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1 20 1 2 . . . . . . . . . 6 SERB QB parsed_1j8n 1 21 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1 21 1 2 . . . . . . . . . 6 SERB HG1 parsed_1j8n 1 22 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1 22 1 2 . . . . . . . . . 6 SERB QC parsed_1j8n 1 23 1 1 . . . . . . . . . 6 SERB HA parsed_1j8n 1 23 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1 24 1 1 . . . . . . . . . 6 SERB QB parsed_1j8n 1 24 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1 25 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 1 25 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 1 26 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 1 26 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 1 27 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 1 27 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 1 28 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 1 28 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 29 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 29 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 1 30 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 30 1 2 . . . . . . . . . 8 LYS QB parsed_1j8n 1 31 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 31 1 2 . . . . . . . . . 8 LYS QD parsed_1j8n 1 32 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 32 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1 33 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 33 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 1 34 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 1 34 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 1 35 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 1 35 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1 36 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 1 36 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1 37 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 1 37 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 38 1 1 . . . . . . . . . 8 LYS HA parsed_1j8n 1 38 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1 39 1 1 . . . . . . . . . 8 LYS QB parsed_1j8n 1 39 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 1 40 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1 40 1 2 . . . . . . . . . 9 LEU HA parsed_1j8n 1 41 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1 41 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 1 42 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1 42 1 2 . . . . . . . . . 9 LEU QD1 parsed_1j8n 1 43 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1 43 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 1 44 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 1 44 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1 45 1 1 . . . . . . . . . 9 LEU HA parsed_1j8n 1 45 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1 46 1 1 . . . . . . . . . 9 LEU QB parsed_1j8n 1 46 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 1 47 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 47 1 2 . . . . . . . . . 10 ILE HA parsed_1j8n 1 48 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 48 1 2 . . . . . . . . . 10 ILE HB parsed_1j8n 1 49 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 49 1 2 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1 50 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 50 1 2 . . . . . . . . . 10 ILE QG1 parsed_1j8n 1 51 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 51 1 2 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1 52 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 1 52 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 53 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 1 53 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 54 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 1 54 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 1 55 1 1 . . . . . . . . . 10 ILE HB parsed_1j8n 1 55 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 56 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1 56 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 57 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 1 57 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 58 1 1 . . . . . . . . . 10 ILE QG1 parsed_1j8n 1 58 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 59 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1 59 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 60 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1 60 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 61 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 1 61 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1 62 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 62 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 63 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 63 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 1 64 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 1 64 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1 65 1 1 . . . . . . . . . 11 CYSS HA parsed_1j8n 1 65 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1 66 1 1 . . . . . . . . . 11 CYSS QB parsed_1j8n 1 66 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 1 67 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1 67 1 2 . . . . . . . . . 12 THR HA parsed_1j8n 1 68 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1 68 1 2 . . . . . . . . . 12 THR HB parsed_1j8n 1 69 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1 69 1 2 . . . . . . . . . 12 THR QG2 parsed_1j8n 1 70 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 1 70 1 2 . . . . . . . . . 12 THR HG1 parsed_1j8n 1 71 1 1 . . . . . . . . . 12 THR HA parsed_1j8n 1 71 1 2 . . . . . . . . . 13 THR HN parsed_1j8n 1 72 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 1 72 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 1 73 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 1 73 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 1 74 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1 74 1 2 . . . . . . . . . 13 THR HA parsed_1j8n 1 75 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1 75 1 2 . . . . . . . . . 13 THR HB parsed_1j8n 1 76 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1 76 1 2 . . . . . . . . . 13 THR QG2 parsed_1j8n 1 77 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1 77 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 1 78 1 1 . . . . . . . . . 13 THR QG2 parsed_1j8n 1 78 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 1 79 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 1 79 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 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 . . . . . . . 3.80 parsed_1j8n 1 2 1 . . . . . . . 3.80 parsed_1j8n 1 3 1 . . . . . . . 2.80 parsed_1j8n 1 4 1 . . . . . . . 5.50 parsed_1j8n 1 5 1 . . . . . . . 5.50 parsed_1j8n 1 6 1 . . . . . . . 3.80 parsed_1j8n 1 7 1 . . . . . . . 4.05 parsed_1j8n 1 8 1 . . . . . . . 5.50 parsed_1j8n 1 9 1 . . . . . . . 2.80 parsed_1j8n 1 10 1 . . . . . . . 4.17 parsed_1j8n 1 11 1 . . . . . . . 3.95 parsed_1j8n 1 12 1 . . . . . . . 3.80 parsed_1j8n 1 13 1 . . . . . . . 5.50 parsed_1j8n 1 14 1 . . . . . . . 3.80 parsed_1j8n 1 15 1 . . . . . . . 3.83 parsed_1j8n 1 16 1 . . . . . . . 2.80 parsed_1j8n 1 17 1 . . . . . . . 3.80 parsed_1j8n 1 18 1 . . . . . . . 5.66 parsed_1j8n 1 19 1 . . . . . . . 4.66 parsed_1j8n 1 20 1 . . . . . . . 4.05 parsed_1j8n 1 21 1 . . . . . . . 5.50 parsed_1j8n 1 22 1 . . . . . . . 4.39 parsed_1j8n 1 23 1 . . . . . . . 3.80 parsed_1j8n 1 24 1 . . . . . . . 5.50 parsed_1j8n 1 25 1 . . . . . . . 3.56 parsed_1j8n 1 26 1 . . . . . . . 6.38 parsed_1j8n 1 27 1 . . . . . . . 3.80 parsed_1j8n 1 28 1 . . . . . . . 5.50 parsed_1j8n 1 29 1 . . . . . . . 3.80 parsed_1j8n 1 30 1 . . . . . . . 7.13 parsed_1j8n 1 31 1 . . . . . . . 7.25 parsed_1j8n 1 32 1 . . . . . . . 5.50 parsed_1j8n 1 33 1 . . . . . . . 5.42 parsed_1j8n 1 34 1 . . . . . . . 7.40 parsed_1j8n 1 35 1 . . . . . . . 3.80 parsed_1j8n 1 36 1 . . . . . . . 5.50 parsed_1j8n 1 37 1 . . . . . . . 5.50 parsed_1j8n 1 38 1 . . . . . . . 2.80 parsed_1j8n 1 39 1 . . . . . . . 5.50 parsed_1j8n 1 40 1 . . . . . . . 3.80 parsed_1j8n 1 41 1 . . . . . . . 4.14 parsed_1j8n 1 42 1 . . . . . . . 6.53 parsed_1j8n 1 43 1 . . . . . . . 6.09 parsed_1j8n 1 44 1 . . . . . . . 2.80 parsed_1j8n 1 45 1 . . . . . . . 3.80 parsed_1j8n 1 46 1 . . . . . . . 4.17 parsed_1j8n 1 47 1 . . . . . . . 3.80 parsed_1j8n 1 48 1 . . . . . . . 3.80 parsed_1j8n 1 49 1 . . . . . . . 5.50 parsed_1j8n 1 50 1 . . . . . . . 6.19 parsed_1j8n 1 51 1 . . . . . . . 5.50 parsed_1j8n 1 52 1 . . . . . . . 3.80 parsed_1j8n 1 53 1 . . . . . . . 2.80 parsed_1j8n 1 54 1 . . . . . . . 4.98 parsed_1j8n 1 55 1 . . . . . . . 5.50 parsed_1j8n 1 56 1 . . . . . . . 6.00 parsed_1j8n 1 57 1 . . . . . . . 6.53 parsed_1j8n 1 58 1 . . . . . . . 6.38 parsed_1j8n 1 59 1 . . . . . . . 4.95 parsed_1j8n 1 60 1 . . . . . . . 6.53 parsed_1j8n 1 61 1 . . . . . . . 5.50 parsed_1j8n 1 62 1 . . . . . . . 3.80 parsed_1j8n 1 63 1 . . . . . . . 3.74 parsed_1j8n 1 64 1 . . . . . . . 3.80 parsed_1j8n 1 65 1 . . . . . . . 3.80 parsed_1j8n 1 66 1 . . . . . . . 4.17 parsed_1j8n 1 67 1 . . . . . . . 2.80 parsed_1j8n 1 68 1 . . . . . . . 3.80 parsed_1j8n 1 69 1 . . . . . . . 5.50 parsed_1j8n 1 70 1 . . . . . . . 5.50 parsed_1j8n 1 71 1 . . . . . . . 2.80 parsed_1j8n 1 72 1 . . . . . . . 5.50 parsed_1j8n 1 73 1 . . . . . . . 5.50 parsed_1j8n 1 74 1 . . . . . . . 2.80 parsed_1j8n 1 75 1 . . . . . . . 3.80 parsed_1j8n 1 76 1 . . . . . . . 5.50 parsed_1j8n 1 77 1 . . . . . . . 5.50 parsed_1j8n 1 78 1 . . . . . . . 5.50 parsed_1j8n 1 79 1 . . . . . . . 3.80 parsed_1j8n 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 "THis the constrainst list used for DYANA calculations of HSER analogue of 600-612 loop of HIVgp41." 1 1 1 100 parsed_1j8n 1 2 (Ace-Ile-Trp-Gly-Cys-beta3Ser-Gly-Lys-Leu-Ile-Cys-Thr-Thr-Ala) 2 1 2 64 parsed_1j8n 1 3 "SERB is for beta3-Ser residue" 3 1 3 30 parsed_1j8n 1 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1j8n _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "disulfide 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_1j8n 2 2 1 . . . parsed_1j8n 2 3 1 . . . parsed_1j8n 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 CYSS CB parsed_1j8n 2 1 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 2 2 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 2 2 1 2 . . . . . . . . . 11 CYSS CB parsed_1j8n 2 3 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 2 3 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 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 . . . . . . . 3.10 parsed_1j8n 2 2 1 . . . . . . . 3.10 parsed_1j8n 2 3 1 . . . . . . . 2.10 parsed_1j8n 2 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1j8n _Distance_constraint_list.ID 3 _Distance_constraint_list.Constraint_type NOE _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_1j8n 3 2 1 . . . parsed_1j8n 3 3 1 . . . parsed_1j8n 3 4 1 . . . parsed_1j8n 3 5 1 . . . parsed_1j8n 3 6 1 . . . parsed_1j8n 3 7 1 . . . parsed_1j8n 3 8 1 . . . parsed_1j8n 3 9 1 . . . parsed_1j8n 3 10 1 . . . parsed_1j8n 3 11 1 . . . parsed_1j8n 3 12 1 . . . parsed_1j8n 3 13 1 . . . parsed_1j8n 3 14 1 . . . parsed_1j8n 3 15 1 . . . parsed_1j8n 3 16 1 . . . parsed_1j8n 3 17 1 . . . parsed_1j8n 3 18 1 . . . parsed_1j8n 3 19 1 . . . parsed_1j8n 3 20 1 . . . parsed_1j8n 3 21 1 . . . parsed_1j8n 3 22 1 . . . parsed_1j8n 3 23 1 . . . parsed_1j8n 3 24 1 . . . parsed_1j8n 3 25 1 . . . parsed_1j8n 3 26 1 . . . parsed_1j8n 3 27 1 . . . parsed_1j8n 3 28 1 . . . parsed_1j8n 3 29 1 . . . parsed_1j8n 3 30 1 . . . parsed_1j8n 3 31 1 . . . parsed_1j8n 3 32 1 . . . parsed_1j8n 3 33 1 . . . parsed_1j8n 3 34 1 . . . parsed_1j8n 3 35 1 . . . parsed_1j8n 3 36 1 . . . parsed_1j8n 3 37 1 . . . parsed_1j8n 3 38 1 . . . parsed_1j8n 3 39 1 . . . parsed_1j8n 3 40 1 . . . parsed_1j8n 3 41 1 . . . parsed_1j8n 3 42 1 . . . parsed_1j8n 3 43 1 . . . parsed_1j8n 3 44 1 . . . parsed_1j8n 3 45 1 . . . parsed_1j8n 3 46 1 . . . parsed_1j8n 3 47 1 . . . parsed_1j8n 3 48 1 . . . parsed_1j8n 3 49 1 . . . parsed_1j8n 3 50 1 . . . parsed_1j8n 3 51 1 . . . parsed_1j8n 3 52 1 . . . parsed_1j8n 3 53 1 . . . parsed_1j8n 3 54 1 . . . parsed_1j8n 3 55 1 . . . parsed_1j8n 3 56 1 . . . parsed_1j8n 3 57 1 . . . parsed_1j8n 3 58 1 . . . parsed_1j8n 3 59 1 . . . parsed_1j8n 3 60 1 . . . parsed_1j8n 3 61 1 . . . parsed_1j8n 3 62 1 . . . parsed_1j8n 3 63 1 . . . parsed_1j8n 3 64 1 . . . parsed_1j8n 3 65 1 . . . parsed_1j8n 3 66 1 . . . parsed_1j8n 3 67 1 . . . parsed_1j8n 3 68 1 . . . parsed_1j8n 3 69 1 . . . parsed_1j8n 3 70 1 . . . parsed_1j8n 3 71 1 . . . parsed_1j8n 3 72 1 . . . parsed_1j8n 3 73 1 . . . parsed_1j8n 3 74 1 . . . parsed_1j8n 3 75 1 . . . parsed_1j8n 3 76 1 . . . parsed_1j8n 3 77 1 . . . parsed_1j8n 3 78 1 . . . parsed_1j8n 3 79 1 . . . parsed_1j8n 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 . . . . . . . . . 2 ILE HN parsed_1j8n 3 1 1 2 . . . . . . . . . 2 ILE HA parsed_1j8n 3 2 1 1 . . . . . . . . . 2 ILE HN parsed_1j8n 3 2 1 2 . . . . . . . . . 2 ILE HB parsed_1j8n 3 3 1 1 . . . . . . . . . 2 ILE HA parsed_1j8n 3 3 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3 4 1 1 . . . . . . . . . 2 ILE HB parsed_1j8n 3 4 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3 5 1 1 . . . . . . . . . 2 ILE QD1 parsed_1j8n 3 5 1 2 . . . . . . . . . 3 TRP HN parsed_1j8n 3 6 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3 6 1 2 . . . . . . . . . 3 TRP HA parsed_1j8n 3 7 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3 7 1 2 . . . . . . . . . 3 TRP QB parsed_1j8n 3 8 1 1 . . . . . . . . . 3 TRP HN parsed_1j8n 3 8 1 2 . . . . . . . . . 3 TRP HD1 parsed_1j8n 3 9 1 1 . . . . . . . . . 3 TRP HA parsed_1j8n 3 9 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 3 10 1 1 . . . . . . . . . 3 TRP QB parsed_1j8n 3 10 1 2 . . . . . . . . . 4 GLY HN parsed_1j8n 3 11 1 1 . . . . . . . . . 4 GLY HN parsed_1j8n 3 11 1 2 . . . . . . . . . 4 GLY QA parsed_1j8n 3 12 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 3 12 1 2 . . . . . . . . . 5 CYSS HN parsed_1j8n 3 13 1 1 . . . . . . . . . 4 GLY QA parsed_1j8n 3 13 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 3 14 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 3 14 1 2 . . . . . . . . . 5 CYSS HA parsed_1j8n 3 15 1 1 . . . . . . . . . 5 CYSS HN parsed_1j8n 3 15 1 2 . . . . . . . . . 5 CYSS QB parsed_1j8n 3 16 1 1 . . . . . . . . . 5 CYSS HA parsed_1j8n 3 16 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 3 17 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3 17 1 2 . . . . . . . . . 6 SERB HN parsed_1j8n 3 18 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3 18 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 3 19 1 1 . . . . . . . . . 5 CYSS QB parsed_1j8n 3 19 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 20 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3 20 1 2 . . . . . . . . . 6 SERB QB parsed_1j8n 3 21 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3 21 1 2 . . . . . . . . . 6 SERB HG1 parsed_1j8n 3 22 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3 22 1 2 . . . . . . . . . 6 SERB QC parsed_1j8n 3 23 1 1 . . . . . . . . . 6 SERB HA parsed_1j8n 3 23 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3 24 1 1 . . . . . . . . . 6 SERB QB parsed_1j8n 3 24 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3 25 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 3 25 1 2 . . . . . . . . . 7 GLY HN parsed_1j8n 3 26 1 1 . . . . . . . . . 6 SERB QC parsed_1j8n 3 26 1 2 . . . . . . . . . 7 GLY QA parsed_1j8n 3 27 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 3 27 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 3 28 1 1 . . . . . . . . . 7 GLY HN parsed_1j8n 3 28 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 29 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 29 1 2 . . . . . . . . . 8 LYS HN parsed_1j8n 3 30 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 30 1 2 . . . . . . . . . 8 LYS QB parsed_1j8n 3 31 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 31 1 2 . . . . . . . . . 8 LYS QD parsed_1j8n 3 32 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 32 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3 33 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 33 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 3 34 1 1 . . . . . . . . . 7 GLY QA parsed_1j8n 3 34 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 3 35 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 3 35 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3 36 1 1 . . . . . . . . . 8 LYS HN parsed_1j8n 3 36 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3 37 1 1 . . . . . . . . . 6 SERB HN parsed_1j8n 3 37 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 38 1 1 . . . . . . . . . 8 LYS HA parsed_1j8n 3 38 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3 39 1 1 . . . . . . . . . 8 LYS QB parsed_1j8n 3 39 1 2 . . . . . . . . . 9 LEU HN parsed_1j8n 3 40 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3 40 1 2 . . . . . . . . . 9 LEU HA parsed_1j8n 3 41 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3 41 1 2 . . . . . . . . . 9 LEU QB parsed_1j8n 3 42 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3 42 1 2 . . . . . . . . . 9 LEU QD1 parsed_1j8n 3 43 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3 43 1 2 . . . . . . . . . 9 LEU QD2 parsed_1j8n 3 44 1 1 . . . . . . . . . 9 LEU HN parsed_1j8n 3 44 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3 45 1 1 . . . . . . . . . 9 LEU HA parsed_1j8n 3 45 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3 46 1 1 . . . . . . . . . 9 LEU QB parsed_1j8n 3 46 1 2 . . . . . . . . . 10 ILE HN parsed_1j8n 3 47 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 47 1 2 . . . . . . . . . 10 ILE HA parsed_1j8n 3 48 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 48 1 2 . . . . . . . . . 10 ILE HB parsed_1j8n 3 49 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 49 1 2 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3 50 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 50 1 2 . . . . . . . . . 10 ILE QG1 parsed_1j8n 3 51 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 51 1 2 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3 52 1 1 . . . . . . . . . 10 ILE HN parsed_1j8n 3 52 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 53 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 3 53 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 54 1 1 . . . . . . . . . 10 ILE HA parsed_1j8n 3 54 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 3 55 1 1 . . . . . . . . . 10 ILE HB parsed_1j8n 3 55 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 56 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3 56 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 57 1 1 . . . . . . . . . 10 ILE QG2 parsed_1j8n 3 57 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 58 1 1 . . . . . . . . . 10 ILE QG1 parsed_1j8n 3 58 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 59 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3 59 1 2 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 60 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3 60 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 61 1 1 . . . . . . . . . 10 ILE QD1 parsed_1j8n 3 61 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3 62 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 62 1 2 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 63 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 63 1 2 . . . . . . . . . 11 CYSS QB parsed_1j8n 3 64 1 1 . . . . . . . . . 11 CYSS HN parsed_1j8n 3 64 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3 65 1 1 . . . . . . . . . 11 CYSS HA parsed_1j8n 3 65 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3 66 1 1 . . . . . . . . . 11 CYSS QB parsed_1j8n 3 66 1 2 . . . . . . . . . 12 THR HN parsed_1j8n 3 67 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3 67 1 2 . . . . . . . . . 12 THR HA parsed_1j8n 3 68 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3 68 1 2 . . . . . . . . . 12 THR HB parsed_1j8n 3 69 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3 69 1 2 . . . . . . . . . 12 THR QG2 parsed_1j8n 3 70 1 1 . . . . . . . . . 12 THR HN parsed_1j8n 3 70 1 2 . . . . . . . . . 12 THR HG1 parsed_1j8n 3 71 1 1 . . . . . . . . . 12 THR HA parsed_1j8n 3 71 1 2 . . . . . . . . . 13 THR HN parsed_1j8n 3 72 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 3 72 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 3 73 1 1 . . . . . . . . . 12 THR HG1 parsed_1j8n 3 73 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 3 74 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3 74 1 2 . . . . . . . . . 13 THR HA parsed_1j8n 3 75 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3 75 1 2 . . . . . . . . . 13 THR HB parsed_1j8n 3 76 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3 76 1 2 . . . . . . . . . 13 THR QG2 parsed_1j8n 3 77 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3 77 1 2 . . . . . . . . . 13 THR HG1 parsed_1j8n 3 78 1 1 . . . . . . . . . 13 THR QG2 parsed_1j8n 3 78 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 3 79 1 1 . . . . . . . . . 13 THR HN parsed_1j8n 3 79 1 2 . . . . . . . . . 14 ALA HN parsed_1j8n 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 . . . . . . 2.80 . parsed_1j8n 3 2 1 . . . . . . 2.80 . parsed_1j8n 3 3 1 . . . . . . 1.80 . parsed_1j8n 3 4 1 . . . . . . 3.80 . parsed_1j8n 3 5 1 . . . . . . 3.80 . parsed_1j8n 3 6 1 . . . . . . 2.80 . parsed_1j8n 3 7 1 . . . . . . 2.71 . parsed_1j8n 3 8 1 . . . . . . 3.80 . parsed_1j8n 3 9 1 . . . . . . 1.80 . parsed_1j8n 3 10 1 . . . . . . 3.08 . parsed_1j8n 3 11 1 . . . . . . 2.05 . parsed_1j8n 3 12 1 . . . . . . 2.80 . parsed_1j8n 3 13 1 . . . . . . 3.80 . parsed_1j8n 3 14 1 . . . . . . 2.80 . parsed_1j8n 3 15 1 . . . . . . 2.58 . parsed_1j8n 3 16 1 . . . . . . 1.80 . parsed_1j8n 3 17 1 . . . . . . 2.80 . parsed_1j8n 3 18 1 . . . . . . 3.80 . parsed_1j8n 3 19 1 . . . . . . 3.80 . parsed_1j8n 3 20 1 . . . . . . 2.80 . parsed_1j8n 3 21 1 . . . . . . 3.80 . parsed_1j8n 3 22 1 . . . . . . 3.23 . parsed_1j8n 3 23 1 . . . . . . 2.80 . parsed_1j8n 3 24 1 . . . . . . 3.80 . parsed_1j8n 3 25 1 . . . . . . 2.83 . parsed_1j8n 3 26 1 . . . . . . 4.80 . parsed_1j8n 3 27 1 . . . . . . 2.80 . parsed_1j8n 3 28 1 . . . . . . 3.80 . parsed_1j8n 3 29 1 . . . . . . 2.80 . parsed_1j8n 3 30 1 . . . . . . 4.80 . parsed_1j8n 3 31 1 . . . . . . 4.80 . parsed_1j8n 3 32 1 . . . . . . 3.80 . parsed_1j8n 3 33 1 . . . . . . 4.80 . parsed_1j8n 3 34 1 . . . . . . 4.80 . parsed_1j8n 3 35 1 . . . . . . 2.80 . parsed_1j8n 3 36 1 . . . . . . 3.80 . parsed_1j8n 3 37 1 . . . . . . 3.80 . parsed_1j8n 3 38 1 . . . . . . 1.80 . parsed_1j8n 3 39 1 . . . . . . 3.80 . parsed_1j8n 3 40 1 . . . . . . 2.80 . parsed_1j8n 3 41 1 . . . . . . 2.36 . parsed_1j8n 3 42 1 . . . . . . 4.80 . parsed_1j8n 3 43 1 . . . . . . 4.80 . parsed_1j8n 3 44 1 . . . . . . 1.80 . parsed_1j8n 3 45 1 . . . . . . 2.80 . parsed_1j8n 3 46 1 . . . . . . 2.89 . parsed_1j8n 3 47 1 . . . . . . 2.80 . parsed_1j8n 3 48 1 . . . . . . 2.80 . parsed_1j8n 3 49 1 . . . . . . 3.80 . parsed_1j8n 3 50 1 . . . . . . 3.80 . parsed_1j8n 3 51 1 . . . . . . 3.80 . parsed_1j8n 3 52 1 . . . . . . 2.80 . parsed_1j8n 3 53 1 . . . . . . 1.80 . parsed_1j8n 3 54 1 . . . . . . 3.70 . parsed_1j8n 3 55 1 . . . . . . 3.80 . parsed_1j8n 3 56 1 . . . . . . 3.80 . parsed_1j8n 3 57 1 . . . . . . 3.80 . parsed_1j8n 3 58 1 . . . . . . 3.80 . parsed_1j8n 3 59 1 . . . . . . 3.80 . parsed_1j8n 3 60 1 . . . . . . 3.80 . parsed_1j8n 3 61 1 . . . . . . 3.80 . parsed_1j8n 3 62 1 . . . . . . 2.80 . parsed_1j8n 3 63 1 . . . . . . 2.58 . parsed_1j8n 3 64 1 . . . . . . 2.80 . parsed_1j8n 3 65 1 . . . . . . 2.80 . parsed_1j8n 3 66 1 . . . . . . 2.92 . parsed_1j8n 3 67 1 . . . . . . 1.80 . parsed_1j8n 3 68 1 . . . . . . 2.80 . parsed_1j8n 3 69 1 . . . . . . 3.80 . parsed_1j8n 3 70 1 . . . . . . 3.80 . parsed_1j8n 3 71 1 . . . . . . 1.80 . parsed_1j8n 3 72 1 . . . . . . 3.80 . parsed_1j8n 3 73 1 . . . . . . 3.80 . parsed_1j8n 3 74 1 . . . . . . 1.80 . parsed_1j8n 3 75 1 . . . . . . 2.80 . parsed_1j8n 3 76 1 . . . . . . 3.80 . parsed_1j8n 3 77 1 . . . . . . 3.80 . parsed_1j8n 3 78 1 . . . . . . 3.80 . parsed_1j8n 3 79 1 . . . . . . 2.80 . parsed_1j8n 3 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 "Lower limit constraints" 2 1 2 24 parsed_1j8n 3 stop_ save_ save_DYANA/DIANA_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1j8n _Distance_constraint_list.ID 4 _Distance_constraint_list.Constraint_type "disulfide bond" _Distance_constraint_list.Constraint_file_ID 1 _Distance_constraint_list.Block_ID 5 _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_1j8n 4 2 1 . . . parsed_1j8n 4 3 1 . . . parsed_1j8n 4 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 CYSS CB parsed_1j8n 4 1 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 4 2 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 4 2 1 2 . . . . . . . . . 11 CYSS CB parsed_1j8n 4 3 1 1 . . . . . . . . . 5 CYSS SG parsed_1j8n 4 3 1 2 . . . . . . . . . 11 CYSS SG parsed_1j8n 4 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 . . . . . . 3.00 . parsed_1j8n 4 2 1 . . . . . . 3.00 . parsed_1j8n 4 3 1 . . . . . . 2.00 . parsed_1j8n 4 stop_ save_
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