NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
553350 | 2lye | 18722 | cing | 2-parsed | STAR | entry | full | 131 |
data_2lye_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2lye _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_2lye 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2lye _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 2lye "Master copy" parsed_2lye stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2lye _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 2lye.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lye 1 1 2lye.mr . . XPLOR/CNS 2 distance NOE simple 73 parsed_2lye 1 1 2lye.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 42 parsed_2lye 1 1 2lye.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 16 parsed_2lye 1 1 2lye.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lye 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_2lye _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 ANTIMICROBIAL PROTEIN 18-SEP-12 2LYE *TITLE HIGH RESOLUTION NMR SOLUTION STRUCTURE OF A SYMMETRICAL THETA- *TITLE 2 DEFENSIN, BTD-2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: BTD-2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SOLID PHASE PEPTIDE SYNTHESIS *KEYWDS THETA-DEFENSIN, CYCLIC PEPTIDES, CYCLIC CYSTINE LADDER, ANTIMICROBIAL *KEYWDS 2 PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR A.C.CONIBEAR, K.ROSENGREN, P.J.HARVEY, D.J.CRAIK *REVDAT 1 28-NOV-12 2LYE 0 ; save_ save_CNS/XPLOR_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2lye _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_2lye 1 2 1 . . . parsed_2lye 1 3 1 . . . parsed_2lye 1 4 1 . . . parsed_2lye 1 5 1 . . . parsed_2lye 1 6 1 . . . parsed_2lye 1 7 1 . . . parsed_2lye 1 8 1 . . . parsed_2lye 1 9 1 . . . parsed_2lye 1 10 1 . . . parsed_2lye 1 11 1 . . . parsed_2lye 1 12 1 . . . parsed_2lye 1 13 1 . . . parsed_2lye 1 14 1 . . . parsed_2lye 1 15 1 . . . parsed_2lye 1 16 1 . . . parsed_2lye 1 17 1 . . . parsed_2lye 1 18 1 . . . parsed_2lye 1 19 1 . . . parsed_2lye 1 20 1 . . . parsed_2lye 1 21 1 . . . parsed_2lye 1 22 1 . . . parsed_2lye 1 23 1 . . . parsed_2lye 1 24 1 . . . parsed_2lye 1 25 1 . . . parsed_2lye 1 26 1 . . . parsed_2lye 1 27 1 . . . parsed_2lye 1 28 1 . . . parsed_2lye 1 29 1 . . . parsed_2lye 1 30 1 . . . parsed_2lye 1 31 1 . . . parsed_2lye 1 32 1 . . . parsed_2lye 1 33 1 . . . parsed_2lye 1 34 1 . . . parsed_2lye 1 35 1 . . . parsed_2lye 1 36 1 . . . parsed_2lye 1 37 1 . . . parsed_2lye 1 38 1 . . . parsed_2lye 1 39 1 . . . parsed_2lye 1 40 1 . . . parsed_2lye 1 41 1 . . . parsed_2lye 1 42 1 . . . parsed_2lye 1 43 1 . . . parsed_2lye 1 44 1 . . . parsed_2lye 1 45 1 . . . parsed_2lye 1 46 1 . . . parsed_2lye 1 47 1 . . . parsed_2lye 1 48 1 . . . parsed_2lye 1 49 1 . . . parsed_2lye 1 50 1 . . . parsed_2lye 1 51 1 . . . parsed_2lye 1 52 1 . . . parsed_2lye 1 53 1 . . . parsed_2lye 1 54 1 . . . parsed_2lye 1 55 1 . . . parsed_2lye 1 56 1 . . . parsed_2lye 1 57 1 . . . parsed_2lye 1 58 1 . . . parsed_2lye 1 59 1 . . . parsed_2lye 1 60 1 . . . parsed_2lye 1 61 1 . . . parsed_2lye 1 62 1 . . . parsed_2lye 1 63 1 . . . parsed_2lye 1 64 1 . . . parsed_2lye 1 65 1 . . . parsed_2lye 1 66 1 . . . parsed_2lye 1 67 1 . . . parsed_2lye 1 68 1 . . . parsed_2lye 1 69 1 . . . parsed_2lye 1 70 1 . . . parsed_2lye 1 71 1 . . . parsed_2lye 1 72 1 . . . parsed_2lye 1 73 1 . . . parsed_2lye 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 . . . . . . . . . 5 . HN parsed_2lye 1 1 1 2 . . . . . . . . . 5 . HB2 parsed_2lye 1 2 1 1 . . . . . . . . . 6 . HN parsed_2lye 1 2 1 2 . . . . . . . . . 6 . HB parsed_2lye 1 3 1 1 . . . . . . . . . 7 . HN parsed_2lye 1 3 1 2 . . . . . . . . . 7 . HB2 parsed_2lye 1 4 1 1 . . . . . . . . . 11 . HN parsed_2lye 1 4 1 2 . . . . . . . . . 11 . HB parsed_2lye 1 5 1 1 . . . . . . . . . 12 . HN parsed_2lye 1 5 1 2 . . . . . . . . . 12 . HB2 parsed_2lye 1 6 1 1 . . . . . . . . . 12 . HN parsed_2lye 1 6 1 2 . . . . . . . . . 12 . HB1 parsed_2lye 1 7 1 1 . . . . . . . . . 9 . HA parsed_2lye 1 7 1 2 . . . . . . . . . 10 . HN parsed_2lye 1 8 1 1 . . . . . . . . . 11 . HA parsed_2lye 1 8 1 2 . . . . . . . . . 12 . HN parsed_2lye 1 9 1 1 . . . . . . . . . 8 . HN parsed_2lye 1 9 1 2 . . . . . . . . . 11 . HB parsed_2lye 1 10 1 1 . . . . . . . . . 12 . HA parsed_2lye 1 10 1 2 . . . . . . . . . 13 . HN parsed_2lye 1 11 1 1 . . . . . . . . . 8 . HN parsed_2lye 1 11 1 2 . . . . . . . . . 12 . HA parsed_2lye 1 12 1 1 . . . . . . . . . 7 . HA parsed_2lye 1 12 1 2 . . . . . . . . . 12 . HA parsed_2lye 1 13 1 1 . . . . . . . . . 12 . HB2 parsed_2lye 1 13 1 2 . . . . . . . . . 13 . HN parsed_2lye 1 14 1 1 . . . . . . . . . 12 . HB1 parsed_2lye 1 14 1 2 . . . . . . . . . 13 . HN parsed_2lye 1 15 1 1 . . . . . . . . . 12 . HA parsed_2lye 1 15 1 2 . . . . . . . . . 12 . HB1 parsed_2lye 1 16 1 1 . . . . . . . . . 7 . HA parsed_2lye 1 16 1 2 . . . . . . . . . 13 . HN parsed_2lye 1 17 1 1 . . . . . . . . . 14 . HN parsed_2lye 1 17 1 2 . . . . . . . . . 13 . HA parsed_2lye 1 18 1 1 . . . . . . . . . 5 . HA parsed_2lye 1 18 1 2 . . . . . . . . . 6 . HN parsed_2lye 1 19 1 1 . . . . . . . . . 5 . HB2 parsed_2lye 1 19 1 2 . . . . . . . . . 6 . HN parsed_2lye 1 20 1 1 . . . . . . . . . 6 . HA parsed_2lye 1 20 1 2 . . . . . . . . . 7 . HN parsed_2lye 1 21 1 1 . . . . . . . . . 7 . HA parsed_2lye 1 21 1 2 . . . . . . . . . 8 . HN parsed_2lye 1 22 1 1 . . . . . . . . . 7 . HA parsed_2lye 1 22 1 2 . . . . . . . . . 7 . HB1 parsed_2lye 1 23 1 1 . . . . . . . . . 9 . HA parsed_2lye 1 23 1 2 . . . . . . . . . 9 . HB1 parsed_2lye 1 24 1 1 . . . . . . . . . 5 . HB1 parsed_2lye 1 24 1 2 . . . . . . . . . 6 . HN parsed_2lye 1 25 1 1 . . . . . . . . . 7 . HB1 parsed_2lye 1 25 1 2 . . . . . . . . . 8 . HN parsed_2lye 1 26 1 1 . . . . . . . . . 8 . HN parsed_2lye 1 26 1 2 . . . . . . . . . 11 . HN parsed_2lye 1 27 1 1 . . . . . . . . . 10 . HN parsed_2lye 1 27 1 2 . . . . . . . . . 11 . HN parsed_2lye 1 28 1 1 . . . . . . . . . 6 . HN parsed_2lye 1 28 1 2 . . . . . . . . . 6 . HG* parsed_2lye 1 29 1 1 . . . . . . . . . 11 . HN parsed_2lye 1 29 1 2 . . . . . . . . . 11 . HG* parsed_2lye 1 30 1 1 . . . . . . . . . 11 . HG* parsed_2lye 1 30 1 2 . . . . . . . . . 12 . HN parsed_2lye 1 31 1 1 . . . . . . . . . 9 . HD# parsed_2lye 1 31 1 2 . . . . . . . . . 11 . HG* parsed_2lye 1 32 1 1 . . . . . . . . . 6 . HG* parsed_2lye 1 32 1 2 . . . . . . . . . 13 . HN parsed_2lye 1 33 1 1 . . . . . . . . . 8 . HN parsed_2lye 1 33 1 2 . . . . . . . . . 8 . HG# parsed_2lye 1 34 1 1 . . . . . . . . . 8 . HG# parsed_2lye 1 34 1 2 . . . . . . . . . 9 . HB1 parsed_2lye 1 35 1 1 . . . . . . . . . 10 . HN parsed_2lye 1 35 1 2 . . . . . . . . . 10 . HA# parsed_2lye 1 36 1 1 . . . . . . . . . 13 . HN parsed_2lye 1 36 1 2 . . . . . . . . . 13 . HG# parsed_2lye 1 37 1 1 . . . . . . . . . 14 . HN parsed_2lye 1 37 1 2 . . . . . . . . . 14 . HB2 parsed_2lye 1 38 1 1 . . . . . . . . . 15 . HN parsed_2lye 1 38 1 2 . . . . . . . . . 15 . HB parsed_2lye 1 39 1 1 . . . . . . . . . 16 . HN parsed_2lye 1 39 1 2 . . . . . . . . . 16 . HB2 parsed_2lye 1 40 1 1 . . . . . . . . . 2 . HN parsed_2lye 1 40 1 2 . . . . . . . . . 2 . HB parsed_2lye 1 41 1 1 . . . . . . . . . 3 . HN parsed_2lye 1 41 1 2 . . . . . . . . . 3 . HB2 parsed_2lye 1 42 1 1 . . . . . . . . . 3 . HN parsed_2lye 1 42 1 2 . . . . . . . . . 3 . HB1 parsed_2lye 1 43 1 1 . . . . . . . . . 18 . HA parsed_2lye 1 43 1 2 . . . . . . . . . 1 . HN parsed_2lye 1 44 1 1 . . . . . . . . . 2 . HA parsed_2lye 1 44 1 2 . . . . . . . . . 3 . HN parsed_2lye 1 45 1 1 . . . . . . . . . 17 . HN parsed_2lye 1 45 1 2 . . . . . . . . . 2 . HB parsed_2lye 1 46 1 1 . . . . . . . . . 3 . HA parsed_2lye 1 46 1 2 . . . . . . . . . 4 . HN parsed_2lye 1 47 1 1 . . . . . . . . . 17 . HN parsed_2lye 1 47 1 2 . . . . . . . . . 3 . HA parsed_2lye 1 48 1 1 . . . . . . . . . 16 . HA parsed_2lye 1 48 1 2 . . . . . . . . . 3 . HA parsed_2lye 1 49 1 1 . . . . . . . . . 3 . HB2 parsed_2lye 1 49 1 2 . . . . . . . . . 4 . HN parsed_2lye 1 50 1 1 . . . . . . . . . 3 . HB1 parsed_2lye 1 50 1 2 . . . . . . . . . 4 . HN parsed_2lye 1 51 1 1 . . . . . . . . . 3 . HA parsed_2lye 1 51 1 2 . . . . . . . . . 3 . HB1 parsed_2lye 1 52 1 1 . . . . . . . . . 16 . HA parsed_2lye 1 52 1 2 . . . . . . . . . 4 . HN parsed_2lye 1 53 1 1 . . . . . . . . . 5 . HN parsed_2lye 1 53 1 2 . . . . . . . . . 4 . HA parsed_2lye 1 54 1 1 . . . . . . . . . 14 . HA parsed_2lye 1 54 1 2 . . . . . . . . . 15 . HN parsed_2lye 1 55 1 1 . . . . . . . . . 14 . HB2 parsed_2lye 1 55 1 2 . . . . . . . . . 15 . HN parsed_2lye 1 56 1 1 . . . . . . . . . 15 . HA parsed_2lye 1 56 1 2 . . . . . . . . . 16 . HN parsed_2lye 1 57 1 1 . . . . . . . . . 16 . HA parsed_2lye 1 57 1 2 . . . . . . . . . 17 . HN parsed_2lye 1 58 1 1 . . . . . . . . . 16 . HA parsed_2lye 1 58 1 2 . . . . . . . . . 16 . HB1 parsed_2lye 1 59 1 1 . . . . . . . . . 18 . HA parsed_2lye 1 59 1 2 . . . . . . . . . 18 . HB1 parsed_2lye 1 60 1 1 . . . . . . . . . 14 . HB1 parsed_2lye 1 60 1 2 . . . . . . . . . 15 . HN parsed_2lye 1 61 1 1 . . . . . . . . . 16 . HB1 parsed_2lye 1 61 1 2 . . . . . . . . . 17 . HN parsed_2lye 1 62 1 1 . . . . . . . . . 17 . HN parsed_2lye 1 62 1 2 . . . . . . . . . 2 . HN parsed_2lye 1 63 1 1 . . . . . . . . . 1 . HN parsed_2lye 1 63 1 2 . . . . . . . . . 2 . HN parsed_2lye 1 64 1 1 . . . . . . . . . 15 . HN parsed_2lye 1 64 1 2 . . . . . . . . . 15 . HG* parsed_2lye 1 65 1 1 . . . . . . . . . 2 . HN parsed_2lye 1 65 1 2 . . . . . . . . . 2 . HG* parsed_2lye 1 66 1 1 . . . . . . . . . 2 . HG* parsed_2lye 1 66 1 2 . . . . . . . . . 3 . HN parsed_2lye 1 67 1 1 . . . . . . . . . 17 . HD# parsed_2lye 1 67 1 2 . . . . . . . . . 2 . HG* parsed_2lye 1 68 1 1 . . . . . . . . . 15 . HG* parsed_2lye 1 68 1 2 . . . . . . . . . 4 . HN parsed_2lye 1 69 1 1 . . . . . . . . . 17 . HN parsed_2lye 1 69 1 2 . . . . . . . . . 17 . HG# parsed_2lye 1 70 1 1 . . . . . . . . . 17 . HG# parsed_2lye 1 70 1 2 . . . . . . . . . 18 . HB1 parsed_2lye 1 71 1 1 . . . . . . . . . 1 . HN parsed_2lye 1 71 1 2 . . . . . . . . . 1 . HA# parsed_2lye 1 72 1 1 . . . . . . . . . 4 . HN parsed_2lye 1 72 1 2 . . . . . . . . . 4 . HG# parsed_2lye 1 73 1 1 . . . . . . . . . 14 . HA parsed_2lye 1 73 1 2 . . . . . . . . . 5 . HA parsed_2lye 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 . . . . . 3.000 1.800 4.200 parsed_2lye 1 2 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 3 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1 4 1 . . . . . 2.735 1.800 3.670 parsed_2lye 1 5 1 . . . . . 2.640 1.800 3.480 parsed_2lye 1 6 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1 7 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1 8 1 . . . . . 2.350 1.800 2.900 parsed_2lye 1 9 1 . . . . . 2.845 1.800 3.890 parsed_2lye 1 10 1 . . . . . 2.210 1.800 2.620 parsed_2lye 1 11 1 . . . . . 2.455 1.800 3.110 parsed_2lye 1 12 1 . . . . . 2.180 2.000 2.560 parsed_2lye 1 13 1 . . . . . 3.015 1.800 4.230 parsed_2lye 1 14 1 . . . . . 2.580 1.800 3.360 parsed_2lye 1 15 1 . . . . . 2.315 1.800 2.830 parsed_2lye 1 16 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1 17 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 18 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1 19 1 . . . . . 2.825 1.800 3.850 parsed_2lye 1 20 1 . . . . . 2.520 1.800 3.240 parsed_2lye 1 21 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1 22 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1 23 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1 24 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1 25 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1 26 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 27 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1 28 1 . . . . . 4.220 1.800 6.640 parsed_2lye 1 29 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1 30 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1 31 1 . . . . . 5.140 1.800 8.480 parsed_2lye 1 32 1 . . . . . 4.700 1.800 7.600 parsed_2lye 1 33 1 . . . . . 3.370 1.800 4.940 parsed_2lye 1 34 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1 35 1 . . . . . 2.145 1.800 2.490 parsed_2lye 1 36 1 . . . . . 3.570 1.800 5.340 parsed_2lye 1 37 1 . . . . . 3.000 1.800 4.200 parsed_2lye 1 38 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 39 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1 40 1 . . . . . 2.735 1.800 3.670 parsed_2lye 1 41 1 . . . . . 2.640 1.800 3.480 parsed_2lye 1 42 1 . . . . . 2.920 1.800 4.040 parsed_2lye 1 43 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1 44 1 . . . . . 2.350 1.800 2.900 parsed_2lye 1 45 1 . . . . . 2.845 1.800 3.890 parsed_2lye 1 46 1 . . . . . 2.210 1.800 2.620 parsed_2lye 1 47 1 . . . . . 2.455 1.800 3.110 parsed_2lye 1 48 1 . . . . . 2.180 2.000 2.560 parsed_2lye 1 49 1 . . . . . 3.015 1.800 4.230 parsed_2lye 1 50 1 . . . . . 2.580 1.800 3.360 parsed_2lye 1 51 1 . . . . . 2.315 1.800 2.830 parsed_2lye 1 52 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1 53 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 54 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1 55 1 . . . . . 2.825 1.800 3.850 parsed_2lye 1 56 1 . . . . . 2.520 1.800 3.240 parsed_2lye 1 57 1 . . . . . 2.100 1.800 2.400 parsed_2lye 1 58 1 . . . . . 2.380 1.800 2.960 parsed_2lye 1 59 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1 60 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1 61 1 . . . . . 2.410 1.800 3.020 parsed_2lye 1 62 1 . . . . . 2.610 1.800 3.420 parsed_2lye 1 63 1 . . . . . 2.425 1.800 3.050 parsed_2lye 1 64 1 . . . . . 4.220 1.800 6.640 parsed_2lye 1 65 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1 66 1 . . . . . 4.670 1.800 7.540 parsed_2lye 1 67 1 . . . . . 5.140 1.800 8.480 parsed_2lye 1 68 1 . . . . . 4.700 1.800 7.600 parsed_2lye 1 69 1 . . . . . 3.370 1.800 4.940 parsed_2lye 1 70 1 . . . . . 2.485 1.800 3.170 parsed_2lye 1 71 1 . . . . . 2.145 1.800 2.490 parsed_2lye 1 72 1 . . . . . 3.570 1.800 5.340 parsed_2lye 1 73 1 . . . . . 2.180 2.000 102.180 parsed_2lye 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 "H proton - H proton" 1 1 1 22 parsed_2lye 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2lye _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 15.3 . . 1 . N . 1 . CA . 1 . C . 2 . N parsed_2lye 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -154.6 -67.6 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_2lye 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 98.4 161.6 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_2lye 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -76.5 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2lye 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 159.4 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2lye 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 3 . N . 3 . CA . 3 . CB . 3 . SG parsed_2lye 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -93.3 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2lye 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 138.8 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2lye 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.8 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2lye 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 166.0 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2lye 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . N . 5 . CA . 5 . CB . 5 . SG parsed_2lye 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -97.8 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2lye 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 140.4 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2lye 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -79.0 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2lye 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 163.5 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2lye 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . N . 7 . CA . 7 . CB . 7 . SG parsed_2lye 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.4 -96.6 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2lye 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 175.4 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2lye 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.6 63.2 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_2lye 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 29.0 52.8 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_2lye 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 9 . N . 9 . CA . 9 . CB . 9 . CG parsed_2lye 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69.6 91.6 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_2lye 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -19.5 15.3 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_2lye 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -132.8 -51.8 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_2lye 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 110.1 166.1 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_2lye 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -148.7 -76.5 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_2lye 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122.0 159.4 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_2lye 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 12 . N . 12 . CA . 12 . CB . 12 . SG parsed_2lye 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.3 -93.3 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_2lye 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 109.6 138.8 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_2lye 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.0 -87.8 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_2lye 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.8 166.0 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_2lye 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . N . 14 . CA . 14 . CB . 14 . SG parsed_2lye 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -146.0 -97.8 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_2lye 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 117.0 140.4 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_2lye 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -158.8 -79.0 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_2lye 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.5 163.5 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_2lye 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . N . 16 . CA . 16 . CB . 16 . SG parsed_2lye 1 39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -179.4 -96.6 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_2lye 1 40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87.4 175.4 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_2lye 1 41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 39.6 63.2 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_2lye 1 42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 210.0 . . 18 . N . 18 . CA . 18 . CB . 18 . CG parsed_2lye 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 "Dihedral angles" 1 1 1 17 parsed_2lye 1 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2lye _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type "hydrogen bond" _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_2lye 2 2 1 . . . parsed_2lye 2 3 1 . . . parsed_2lye 2 4 1 . . . parsed_2lye 2 5 1 . . . parsed_2lye 2 6 1 . . . parsed_2lye 2 7 1 . . . parsed_2lye 2 8 1 . . . parsed_2lye 2 9 1 . . . parsed_2lye 2 10 1 . . . parsed_2lye 2 11 1 . . . parsed_2lye 2 12 1 . . . parsed_2lye 2 13 1 . . . parsed_2lye 2 14 1 . . . parsed_2lye 2 15 1 . . . parsed_2lye 2 16 1 . . . parsed_2lye 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 . HN parsed_2lye 2 1 1 2 . . . . . . . . . 17 . O parsed_2lye 2 2 1 1 . . . . . . . . . 2 . N parsed_2lye 2 2 1 2 . . . . . . . . . 17 . O parsed_2lye 2 3 1 1 . . . . . . . . . 2 . O parsed_2lye 2 3 1 2 . . . . . . . . . 17 . HN parsed_2lye 2 4 1 1 . . . . . . . . . 2 . O parsed_2lye 2 4 1 2 . . . . . . . . . 17 . N parsed_2lye 2 5 1 1 . . . . . . . . . 4 . HN parsed_2lye 2 5 1 2 . . . . . . . . . 15 . O parsed_2lye 2 6 1 1 . . . . . . . . . 4 . N parsed_2lye 2 6 1 2 . . . . . . . . . 15 . O parsed_2lye 2 7 1 1 . . . . . . . . . 4 . O parsed_2lye 2 7 1 2 . . . . . . . . . 15 . HN parsed_2lye 2 8 1 1 . . . . . . . . . 4 . O parsed_2lye 2 8 1 2 . . . . . . . . . 15 . N parsed_2lye 2 9 1 1 . . . . . . . . . 6 . HN parsed_2lye 2 9 1 2 . . . . . . . . . 13 . O parsed_2lye 2 10 1 1 . . . . . . . . . 6 . N parsed_2lye 2 10 1 2 . . . . . . . . . 13 . O parsed_2lye 2 11 1 1 . . . . . . . . . 6 . O parsed_2lye 2 11 1 2 . . . . . . . . . 13 . HN parsed_2lye 2 12 1 1 . . . . . . . . . 6 . O parsed_2lye 2 12 1 2 . . . . . . . . . 13 . N parsed_2lye 2 13 1 1 . . . . . . . . . 8 . HN parsed_2lye 2 13 1 2 . . . . . . . . . 11 . O parsed_2lye 2 14 1 1 . . . . . . . . . 8 . N parsed_2lye 2 14 1 2 . . . . . . . . . 11 . O parsed_2lye 2 15 1 1 . . . . . . . . . 8 . O parsed_2lye 2 15 1 2 . . . . . . . . . 11 . HN parsed_2lye 2 16 1 1 . . . . . . . . . 8 . O parsed_2lye 2 16 1 2 . . . . . . . . . 11 . N parsed_2lye 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 . . . . . 1.900 1.800 2.000 parsed_2lye 2 2 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 3 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 4 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 5 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 6 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 7 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 8 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 9 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 10 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 11 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 12 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 13 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 14 1 . . . . . 2.400 1.800 3.000 parsed_2lye 2 15 1 . . . . . 1.900 1.800 2.000 parsed_2lye 2 16 1 . . . . . 2.400 1.800 3.000 parsed_2lye 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 Hbonds 1 1 1 8 parsed_2lye 2 stop_ save_
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