NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | program | type | subtype | item_count |
29041 | 1aft | cing | 2-parsed | STAR | entry | full | 97 |
data_1aft_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_1aft _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_1aft 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_1aft _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 1aft "Master copy" parsed_1aft stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_1aft _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 1aft.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1aft 1 1 1aft.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1aft 1 1 1aft.mr . . XPLOR/CNS 3 distance NOE simple 61 parsed_1aft 1 1 1aft.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1aft 1 1 1aft.mr . . XPLOR/CNS 5 distance NOE simple 36 parsed_1aft 1 1 1aft.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1aft 1 1 1aft.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1aft 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_1aft _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 RIBONUCLEOTIDE REDUCTASE 13-MAR-97 1AFT *TITLE SMALL SUBUNIT C-TERMINAL INHIBITORY PEPTIDE OF MOUSE *TITLE 2 RIBONUCLEOTIDE REDUCTASE AS BOUND TO THE LARGE SUBUNIT, *TITLE 3 NMR, 26 STRUCTURES *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE; *COMPND 3 CHAIN: NULL; *COMPND 4 FRAGMENT: C-TERMINAL RESIDUES AC-FTLDADF OF SMALL SUBUNIT; *COMPND 5 EC: 1.17.4.1; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 OTHER_DETAILS: SYNTHESIZED USING FMOC CHEMISTRY *KEYWDS RIBONUCLEOTIDE REDUCTASE, PEPTIDE INHIBITORS, TRANSFERRED *KEYWDS 2 NOESY, RESTRAINED MOLECULAR DYNAMICS, NONSTANDARD TYPE I *KEYWDS 3 TURN *EXPDTA NMR, 26 STRUCTURES *AUTHOR P.B.LAUB,A.L.FISHER,G.T.FURST,B.A.BARWIS,C.S.HAMANN, *AUTHOR 2 B.S.COOPERMAN *REVDAT 1 15-MAY-97 1AFT 0 ; save_ save_MR_file_comment_2 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1aft _Org_constr_file_comment.ID 2 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 2 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; noe reset nrestraints 200 !Make this amply big ; save_ save_CNS/XPLOR_distance_constraints_3 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1aft _Distance_constraint_list.ID 1 _Distance_constraint_list.Constraint_type NOE _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_1aft 1 2 1 . . . parsed_1aft 1 3 1 . . . parsed_1aft 1 4 1 . . . parsed_1aft 1 5 1 . . . parsed_1aft 1 6 1 . . . parsed_1aft 1 7 1 . . . parsed_1aft 1 8 1 . . . parsed_1aft 1 9 1 . . . parsed_1aft 1 10 1 . . . parsed_1aft 1 11 1 . . . parsed_1aft 1 12 1 . . . parsed_1aft 1 13 1 . . . parsed_1aft 1 14 1 . . . parsed_1aft 1 15 1 . . . parsed_1aft 1 16 1 . . . parsed_1aft 1 17 1 . . . parsed_1aft 1 18 1 . . . parsed_1aft 1 19 1 . . . parsed_1aft 1 20 1 . . . parsed_1aft 1 21 1 . . . parsed_1aft 1 22 1 . . . parsed_1aft 1 23 1 . . . parsed_1aft 1 24 1 . . . parsed_1aft 1 25 1 . . . parsed_1aft 1 26 1 . . . parsed_1aft 1 27 1 . . . parsed_1aft 1 28 1 . . . parsed_1aft 1 29 1 . . . parsed_1aft 1 30 1 . . . parsed_1aft 1 31 1 . . . parsed_1aft 1 32 1 . . . parsed_1aft 1 33 1 . . . parsed_1aft 1 34 1 . . . parsed_1aft 1 35 1 . . . parsed_1aft 1 36 1 . . . parsed_1aft 1 37 1 . . . parsed_1aft 1 38 1 . . . parsed_1aft 1 39 1 . . . parsed_1aft 1 40 1 . . . parsed_1aft 1 41 1 . . . parsed_1aft 1 42 1 . . . parsed_1aft 1 43 1 . . . parsed_1aft 1 44 1 . . . parsed_1aft 1 45 1 . . . parsed_1aft 1 46 1 . . . parsed_1aft 1 47 1 . . . parsed_1aft 1 48 1 . . . parsed_1aft 1 49 1 . . . parsed_1aft 1 50 1 . . . parsed_1aft 1 51 1 . . . parsed_1aft 1 52 1 . . . parsed_1aft 1 53 1 . . . parsed_1aft 1 54 1 . . . parsed_1aft 1 55 1 . . . parsed_1aft 1 56 1 . . . parsed_1aft 1 57 1 . . . parsed_1aft 1 58 1 . . . parsed_1aft 1 59 1 . . . parsed_1aft 1 60 1 . . . parsed_1aft 1 61 1 . . . parsed_1aft 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 . . . . . . . . . 4 . HN parsed_1aft 1 1 1 2 . . . . . . . . . 5 . HN parsed_1aft 1 2 1 1 . . . . . . . . . 5 . HN parsed_1aft 1 2 1 2 . . . . . . . . . 6 . HN parsed_1aft 1 3 1 1 . . . . . . . . . 6 . HN parsed_1aft 1 3 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 4 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 4 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1 5 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 5 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 6 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1 6 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1 7 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1 7 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 8 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 8 1 2 . . . . . . . . . 7 . HD* parsed_1aft 1 9 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 9 1 2 . . . . . . . . . 7 . HE* parsed_1aft 1 10 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 10 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 11 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1 11 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 12 1 1 . . . . . . . . . 1 . HZ parsed_1aft 1 12 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 13 1 1 . . . . . . . . . 5 . HA parsed_1aft 1 13 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 14 1 1 . . . . . . . . . 1 . HA parsed_1aft 1 14 1 2 . . . . . . . . . 1 . HD* parsed_1aft 1 15 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 15 1 2 . . . . . . . . . 1 . HN parsed_1aft 1 16 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1 16 1 2 . . . . . . . . . 1 . HN parsed_1aft 1 17 1 1 . . . . . . . . . 2 . HA parsed_1aft 1 17 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 18 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1 18 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 19 1 1 . . . . . . . . . 2 . HB parsed_1aft 1 19 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 20 1 1 . . . . . . . . . 3 . HA parsed_1aft 1 20 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 21 1 1 . . . . . . . . . 3 . HD* parsed_1aft 1 21 1 2 . . . . . . . . . 3 . HN parsed_1aft 1 22 1 1 . . . . . . . . . 5 . HA parsed_1aft 1 22 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1 23 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 23 1 2 . . . . . . . . . 5 . HN parsed_1aft 1 24 1 1 . . . . . . . . . 7 . HD* parsed_1aft 1 24 1 2 . . . . . . . . . 7 . HA parsed_1aft 1 25 1 1 . . . . . . . . . 7 . HE* parsed_1aft 1 25 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 26 1 1 . . . . . . . . . 7 . HD* parsed_1aft 1 26 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 27 1 1 . . . . . . . . . 6 . HA parsed_1aft 1 27 1 2 . . . . . . . . . 7 . HD* parsed_1aft 1 28 1 1 . . . . . . . . . 1 . HA parsed_1aft 1 28 1 2 . . . . . . . . . 0 . HA* parsed_1aft 1 29 1 1 . . . . . . . . . 1 . HA parsed_1aft 1 29 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 30 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 30 1 2 . . . . . . . . . 6 . HA parsed_1aft 1 31 1 1 . . . . . . . . . 2 . HB parsed_1aft 1 31 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 32 1 1 . . . . . . . . . 2 . HB parsed_1aft 1 32 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1 33 1 1 . . . . . . . . . 0 . HA* parsed_1aft 1 33 1 2 . . . . . . . . . 1 . HN parsed_1aft 1 34 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 34 1 2 . . . . . . . . . 6 . HN parsed_1aft 1 35 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 35 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 36 1 1 . . . . . . . . . 1 . HE* parsed_1aft 1 36 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 37 1 1 . . . . . . . . . 1 . HN parsed_1aft 1 37 1 2 . . . . . . . . . 2 . HG2* parsed_1aft 1 38 1 1 . . . . . . . . . 4 . HN parsed_1aft 1 38 1 2 . . . . . . . . . 5 . HB* parsed_1aft 1 39 1 1 . . . . . . . . . 0 . HA* parsed_1aft 1 39 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 40 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 40 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 41 1 1 . . . . . . . . . 1 . HD* parsed_1aft 1 41 1 2 . . . . . . . . . 3 . HN parsed_1aft 1 42 1 1 . . . . . . . . . 1 . HN parsed_1aft 1 42 1 2 . . . . . . . . . 3 . HD* parsed_1aft 1 43 1 1 . . . . . . . . . 6 . HA parsed_1aft 1 43 1 2 . . . . . . . . . 6 . HN parsed_1aft 1 44 1 1 . . . . . . . . . 1 . HA parsed_1aft 1 44 1 2 . . . . . . . . . 1 . HN parsed_1aft 1 45 1 1 . . . . . . . . . 4 . HA parsed_1aft 1 45 1 2 . . . . . . . . . 4 . HN parsed_1aft 1 46 1 1 . . . . . . . . . 7 . HA parsed_1aft 1 46 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 47 1 1 . . . . . . . . . 2 . HB parsed_1aft 1 47 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 48 1 1 . . . . . . . . . 5 . HA parsed_1aft 1 48 1 2 . . . . . . . . . 6 . HN parsed_1aft 1 49 1 1 . . . . . . . . . 6 . HA parsed_1aft 1 49 1 2 . . . . . . . . . 7 . HN parsed_1aft 1 50 1 1 . . . . . . . . . 1 . HA parsed_1aft 1 50 1 2 . . . . . . . . . 2 . HN parsed_1aft 1 51 1 1 . . . . . . . . . 4 . HA parsed_1aft 1 51 1 2 . . . . . . . . . 5 . HN parsed_1aft 1 52 1 1 . . . . . . . . . 2 . HB parsed_1aft 1 52 1 2 . . . . . . . . . 3 . HN parsed_1aft 1 53 1 1 . . . . . . . . . 3 . HD* parsed_1aft 1 53 1 2 . . . . . . . . . 4 . HN parsed_1aft 1 54 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1 54 1 2 . . . . . . . . . 4 . HN parsed_1aft 1 55 1 1 . . . . . . . . . 2 . HG2* parsed_1aft 1 55 1 2 . . . . . . . . . 5 . HN parsed_1aft 1 56 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 56 1 2 . . . . . . . . . 4 . HN parsed_1aft 1 57 1 1 . . . . . . . . . 3 . HA parsed_1aft 1 57 1 2 . . . . . . . . . 4 . HN parsed_1aft 1 58 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 58 1 2 . . . . . . . . . 4 . HA parsed_1aft 1 59 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 59 1 2 . . . . . . . . . 7 . HA parsed_1aft 1 60 1 1 . . . . . . . . . 2 . HB* parsed_1aft 1 60 1 2 . . . . . . . . . 5 . HA parsed_1aft 1 61 1 1 . . . . . . . . . 5 . HB* parsed_1aft 1 61 1 2 . . . . . . . . . 7 . HN parsed_1aft 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 . . . . . 1.80 1.80 3.30 parsed_1aft 1 2 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 3 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 4 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 5 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 6 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 7 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1 8 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 9 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 10 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 11 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 12 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 13 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 14 1 . . . . . 1.80 1.80 3.90 parsed_1aft 1 15 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 16 1 . . . . . 1.80 1.80 5.60 parsed_1aft 1 17 1 . . . . . 1.80 1.80 3.10 parsed_1aft 1 18 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1 19 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1 20 1 . . . . . 1.80 1.80 3.20 parsed_1aft 1 21 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 22 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1 23 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 24 1 . . . . . 1.80 1.80 3.90 parsed_1aft 1 25 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 26 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 27 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 28 1 . . . . . 1.80 1.80 4.30 parsed_1aft 1 29 1 . . . . . 1.80 1.80 4.30 parsed_1aft 1 30 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 31 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1 32 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 33 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1 34 1 . . . . . 1.80 1.80 2.70 parsed_1aft 1 35 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 36 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 37 1 . . . . . 1.80 1.80 5.50 parsed_1aft 1 38 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 39 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1 40 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 41 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 42 1 . . . . . 1.80 1.80 6.30 parsed_1aft 1 43 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1 44 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1 45 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1 46 1 . . . . . 1.80 1.80 2.90 parsed_1aft 1 47 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 48 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 49 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 50 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 51 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 52 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 53 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 54 1 . . . . . 1.80 1.80 5.50 parsed_1aft 1 55 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 56 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 57 1 . . . . . 1.80 1.80 3.30 parsed_1aft 1 58 1 . . . . . 1.80 1.80 6.00 parsed_1aft 1 59 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 60 1 . . . . . 1.80 1.80 5.00 parsed_1aft 1 61 1 . . . . . 1.80 1.80 3.30 parsed_1aft 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 "r-6 averaging" 1 5 1 21 parsed_1aft 1 stop_ save_ save_MR_file_comment_4 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1aft _Org_constr_file_comment.ID 3 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 4 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment " CLASS CAVG" save_ save_CNS/XPLOR_distance_constraints_5 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_1aft _Distance_constraint_list.ID 2 _Distance_constraint_list.Constraint_type NOE _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_1aft 2 2 1 . . . parsed_1aft 2 3 1 . . . parsed_1aft 2 4 1 . . . parsed_1aft 2 5 1 . . . parsed_1aft 2 6 1 . . . parsed_1aft 2 7 1 . . . parsed_1aft 2 8 1 . . . parsed_1aft 2 9 1 . . . parsed_1aft 2 10 1 . . . parsed_1aft 2 11 1 . . . parsed_1aft 2 12 1 . . . parsed_1aft 2 13 1 . . . parsed_1aft 2 14 1 . . . parsed_1aft 2 15 1 . . . parsed_1aft 2 16 1 . . . parsed_1aft 2 17 1 . . . parsed_1aft 2 18 1 . . . parsed_1aft 2 19 1 . . . parsed_1aft 2 20 1 . . . parsed_1aft 2 21 1 . . . parsed_1aft 2 22 1 . . . parsed_1aft 2 23 1 . . . parsed_1aft 2 24 1 . . . parsed_1aft 2 25 1 . . . parsed_1aft 2 26 1 . . . parsed_1aft 2 27 1 . . . parsed_1aft 2 28 1 . . . parsed_1aft 2 29 1 . . . parsed_1aft 2 30 1 . . . parsed_1aft 2 31 1 . . . parsed_1aft 2 32 1 . . . parsed_1aft 2 33 1 . . . parsed_1aft 2 34 1 . . . parsed_1aft 2 35 1 . . . parsed_1aft 2 36 1 . . . parsed_1aft 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 . . . . . . . . . 6 . HB* parsed_1aft 2 1 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2 2 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2 2 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2 3 1 1 . . . . . . . . . 5 . HB* parsed_1aft 2 3 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2 4 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 4 1 2 . . . . . . . . . 0 . HA* parsed_1aft 2 5 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 5 1 2 . . . . . . . . . 3 . HD* parsed_1aft 2 6 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 6 1 2 . . . . . . . . . 3 . HD* parsed_1aft 2 7 1 1 . . . . . . . . . 6 . HA parsed_1aft 2 7 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2 8 1 1 . . . . . . . . . 1 . HA parsed_1aft 2 8 1 2 . . . . . . . . . 1 . HB* parsed_1aft 2 9 1 1 . . . . . . . . . 1 . HA parsed_1aft 2 9 1 2 . . . . . . . . . 1 . HB* parsed_1aft 2 10 1 1 . . . . . . . . . 7 . HA parsed_1aft 2 10 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2 11 1 1 . . . . . . . . . 7 . HA parsed_1aft 2 11 1 2 . . . . . . . . . 7 . HB* parsed_1aft 2 12 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 12 1 2 . . . . . . . . . 1 . HN parsed_1aft 2 13 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 13 1 2 . . . . . . . . . 1 . HN parsed_1aft 2 14 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2 14 1 2 . . . . . . . . . 4 . HN parsed_1aft 2 15 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2 15 1 2 . . . . . . . . . 4 . HN parsed_1aft 2 16 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2 16 1 2 . . . . . . . . . 6 . HN parsed_1aft 2 17 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2 17 1 2 . . . . . . . . . 6 . HN parsed_1aft 2 18 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 18 1 2 . . . . . . . . . 7 . HN parsed_1aft 2 19 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 19 1 2 . . . . . . . . . 7 . HN parsed_1aft 2 20 1 1 . . . . . . . . . 5 . HA parsed_1aft 2 20 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2 21 1 1 . . . . . . . . . 5 . HA parsed_1aft 2 21 1 2 . . . . . . . . . 6 . HB* parsed_1aft 2 22 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 22 1 2 . . . . . . . . . 2 . HN parsed_1aft 2 23 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 23 1 2 . . . . . . . . . 2 . HN parsed_1aft 2 24 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2 24 1 2 . . . . . . . . . 5 . HN parsed_1aft 2 25 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2 25 1 2 . . . . . . . . . 5 . HN parsed_1aft 2 26 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2 26 1 2 . . . . . . . . . 7 . HN parsed_1aft 2 27 1 1 . . . . . . . . . 6 . HB* parsed_1aft 2 27 1 2 . . . . . . . . . 7 . HN parsed_1aft 2 28 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 28 1 2 . . . . . . . . . 1 . HD* parsed_1aft 2 29 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 29 1 2 . . . . . . . . . 1 . HD* parsed_1aft 2 30 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 30 1 2 . . . . . . . . . 1 . HE* parsed_1aft 2 31 1 1 . . . . . . . . . 1 . HB* parsed_1aft 2 31 1 2 . . . . . . . . . 1 . HE* parsed_1aft 2 32 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 32 1 2 . . . . . . . . . 7 . HE* parsed_1aft 2 33 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 33 1 2 . . . . . . . . . 7 . HE* parsed_1aft 2 34 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 34 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2 35 1 1 . . . . . . . . . 7 . HB* parsed_1aft 2 35 1 2 . . . . . . . . . 7 . HD* parsed_1aft 2 36 1 1 . . . . . . . . . 4 . HB* parsed_1aft 2 36 1 2 . . . . . . . . . 3 . HA* parsed_1aft 2 stop_ loop_ _Dist_constraint_value.Constraint_ID _Dist_constraint_value.Tree_node_ID _Dist_constraint_value.Source_experiment_ID _Dist_constraint_value.Spectral_peak_ID _Dist_constraint_value.Intensity_val _Dist_constraint_value.Intensity_lower_val_err _Dist_constraint_value.Intensity_upper_val_err _Dist_constraint_value.Distance_val _Dist_constraint_value.Distance_lower_bound_val _Dist_constraint_value.Distance_upper_bound_val _Dist_constraint_value.Entry_ID _Dist_constraint_value.Distance_constraint_list_ID 1 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 2 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 3 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 4 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 5 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 6 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 7 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 8 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 9 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 10 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 11 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 12 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 13 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 14 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 15 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 16 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 17 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 18 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 19 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 20 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 21 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 22 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 23 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 24 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 25 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 26 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 27 1 . . . . . 1.80 1.80 4.20 parsed_1aft 2 28 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 29 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 30 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 31 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 32 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 33 1 . . . . . 1.80 1.80 5.90 parsed_1aft 2 34 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 35 1 . . . . . 1.80 1.80 3.60 parsed_1aft 2 36 1 . . . . . 1.80 1.80 5.90 parsed_1aft 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 "center of mass averaging. 0.9 A upper bound slack added." 1 5 1 63 parsed_1aft 2 2 "End of file" 38 5 38 18 parsed_1aft 2 stop_ save_ save_MR_file_comment_6 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_1aft _Org_constr_file_comment.ID 4 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 6 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; aver ravg r-6 aver cavg center potential * soft !square -> soft ceiling $ceil scale * 1 !Never change this sqconstant * $sqcon sqexponent * 2 !Never change this sqoffset * 0 !Never change this rswitch * 1.5 !used for soft potential asymptote * 0.5 !seems logical soexponent * 2 !default end ! end of NOE statement ; save_
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