NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
639083 | 6r9z | 27863 | cing | 2-parsed | STAR | entry | full | 41 |
data_6r9z_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6r9z _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_6r9z 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6r9z _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 6r9z "Master copy" parsed_6r9z stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6r9z _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 6r9z.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6r9z 1 1 6r9z.mr . . DYANA/DIANA 2 distance NOE simple 41 parsed_6r9z 1 1 6r9z.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6r9z 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_6r9z _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 HYDROLASE 04-APR-19 6R9Z *TITLE 3D NMR SOLUTION STRUCTURE OF LIGAND PEPTIDE (AC)EVNPPVP OF PRO-PRO *TITLE 2 ENDOPEPTIDASE-1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ACE-GLU-VAL-ASN-PRO-PRO-VAL-PRO-NH2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CLOSTRIDIOIDES DIFFICILE; *SOURCE 4 ORGANISM_TAXID: 1496 *KEYWDS SYNTHETIC MODEL PEPTIDE, PRO-PRO ENDOPEPTIDASE-1, HYDROLASE *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR D.DIAZ *REVDAT 1 19-JUN-19 6R9Z 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_6r9z _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_6r9z 1 2 1 . . . parsed_6r9z 1 3 1 . . . parsed_6r9z 1 4 1 . . . parsed_6r9z 1 5 1 . . . parsed_6r9z 1 6 1 . . . parsed_6r9z 1 7 1 . . . parsed_6r9z 1 8 1 . . . parsed_6r9z 1 9 1 . . . parsed_6r9z 1 10 1 . . . parsed_6r9z 1 11 1 . . . parsed_6r9z 1 12 1 . . . parsed_6r9z 1 13 1 . . . parsed_6r9z 1 14 1 . . . parsed_6r9z 1 15 1 . . . parsed_6r9z 1 16 1 . . . parsed_6r9z 1 17 1 . . . parsed_6r9z 1 18 1 . . . parsed_6r9z 1 19 1 . . . parsed_6r9z 1 20 1 . . . parsed_6r9z 1 21 1 . . . parsed_6r9z 1 22 1 . . . parsed_6r9z 1 23 1 . . . parsed_6r9z 1 24 1 . . . parsed_6r9z 1 25 1 . . . parsed_6r9z 1 26 1 . . . parsed_6r9z 1 27 1 . . . parsed_6r9z 1 28 1 . . . parsed_6r9z 1 29 1 . . . parsed_6r9z 1 30 1 . . . parsed_6r9z 1 31 1 . . . parsed_6r9z 1 32 1 . . . parsed_6r9z 1 33 1 . . . parsed_6r9z 1 34 1 . . . parsed_6r9z 1 35 1 . . . parsed_6r9z 1 36 1 . . . parsed_6r9z 1 37 1 . . . parsed_6r9z 1 38 1 . . . parsed_6r9z 1 39 1 . . . parsed_6r9z 1 40 1 . . . parsed_6r9z 1 41 1 . . . parsed_6r9z 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 ASN HB3 parsed_6r9z 1 1 1 2 . . . . . . . . . 5 PRO HD2 parsed_6r9z 1 2 1 1 . . . . . . . . . 4 ASN HB3 parsed_6r9z 1 2 1 2 . . . . . . . . . 5 PRO HD3 parsed_6r9z 1 3 1 1 . . . . . . . . . 3 VAL HB parsed_6r9z 1 3 1 2 . . . . . . . . . 4 ASN H parsed_6r9z 1 4 1 1 . . . . . . . . . 3 VAL HA parsed_6r9z 1 4 1 2 . . . . . . . . . 4 ASN H parsed_6r9z 1 5 1 1 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 5 1 2 . . . . . . . . . 4 ASN H parsed_6r9z 1 6 1 1 . . . . . . . . . 7 VAL HA parsed_6r9z 1 6 1 2 . . . . . . . . . 8 PRO HD3 parsed_6r9z 1 7 1 1 . . . . . . . . . 2 GLU H parsed_6r9z 1 7 1 2 . . . . . . . . . 2 GLU QG parsed_6r9z 1 8 1 1 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 8 1 2 . . . . . . . . . 9 NHE HA1 parsed_6r9z 1 9 1 1 . . . . . . . . . 8 PRO HA parsed_6r9z 1 9 1 2 . . . . . . . . . 9 NHE HA1 parsed_6r9z 1 10 1 1 . . . . . . . . . 7 VAL HA parsed_6r9z 1 10 1 2 . . . . . . . . . 8 PRO HD2 parsed_6r9z 1 11 1 1 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 11 1 2 . . . . . . . . . 8 PRO HD2 parsed_6r9z 1 12 1 1 . . . . . . . . . 4 ASN HB2 parsed_6r9z 1 12 1 2 . . . . . . . . . 5 PRO HD2 parsed_6r9z 1 13 1 1 . . . . . . . . . 4 ASN HB2 parsed_6r9z 1 13 1 2 . . . . . . . . . 5 PRO HD3 parsed_6r9z 1 14 1 1 . . . . . . . . . 3 VAL HA parsed_6r9z 1 14 1 2 . . . . . . . . . 4 ASN HA parsed_6r9z 1 15 1 1 . . . . . . . . . 6 PRO HA parsed_6r9z 1 15 1 2 . . . . . . . . . 7 VAL H parsed_6r9z 1 16 1 1 . . . . . . . . . 7 VAL H parsed_6r9z 1 16 1 2 . . . . . . . . . 7 VAL HB parsed_6r9z 1 17 1 1 . . . . . . . . . 7 VAL H parsed_6r9z 1 17 1 2 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 18 1 1 . . . . . . . . . 4 ASN HA parsed_6r9z 1 18 1 2 . . . . . . . . . 5 PRO HD2 parsed_6r9z 1 19 1 1 . . . . . . . . . 2 GLU HA parsed_6r9z 1 19 1 2 . . . . . . . . . 3 VAL H parsed_6r9z 1 20 1 1 . . . . . . . . . 2 GLU HA parsed_6r9z 1 20 1 2 . . . . . . . . . 2 GLU QG parsed_6r9z 1 21 1 1 . . . . . . . . . 7 VAL HA parsed_6r9z 1 21 1 2 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 22 1 1 . . . . . . . . . 3 VAL H parsed_6r9z 1 22 1 2 . . . . . . . . . 3 VAL HB parsed_6r9z 1 23 1 1 . . . . . . . . . 3 VAL H parsed_6r9z 1 23 1 2 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 24 1 1 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 24 1 2 . . . . . . . . . 8 PRO HD3 parsed_6r9z 1 25 1 1 . . . . . . . . . 4 ASN HA parsed_6r9z 1 25 1 2 . . . . . . . . . 5 PRO HD3 parsed_6r9z 1 26 1 1 . . . . . . . . . 3 VAL HA parsed_6r9z 1 26 1 2 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 27 1 1 . . . . . . . . . 2 GLU HA parsed_6r9z 1 27 1 2 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 28 1 1 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 28 1 2 . . . . . . . . . 4 ASN HA parsed_6r9z 1 29 1 1 . . . . . . . . . 2 GLU H parsed_6r9z 1 29 1 2 . . . . . . . . . 2 GLU QB parsed_6r9z 1 30 1 1 . . . . . . . . . 3 VAL QQG parsed_6r9z 1 30 1 2 . . . . . . . . . 5 PRO QD parsed_6r9z 1 31 1 1 . . . . . . . . . 4 ASN H parsed_6r9z 1 31 1 2 . . . . . . . . . 4 ASN QB parsed_6r9z 1 32 1 1 . . . . . . . . . 4 ASN HA parsed_6r9z 1 32 1 2 . . . . . . . . . 4 ASN QD2 parsed_6r9z 1 33 1 1 . . . . . . . . . 4 ASN QB parsed_6r9z 1 33 1 2 . . . . . . . . . 4 ASN QD2 parsed_6r9z 1 34 1 1 . . . . . . . . . 4 ASN QB parsed_6r9z 1 34 1 2 . . . . . . . . . 5 PRO QD parsed_6r9z 1 35 1 1 . . . . . . . . . 5 PRO HA parsed_6r9z 1 35 1 2 . . . . . . . . . 6 PRO QD parsed_6r9z 1 36 1 1 . . . . . . . . . 5 PRO QB parsed_6r9z 1 36 1 2 . . . . . . . . . 6 PRO QD parsed_6r9z 1 37 1 1 . . . . . . . . . 5 PRO QD parsed_6r9z 1 37 1 2 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 38 1 1 . . . . . . . . . 6 PRO QB parsed_6r9z 1 38 1 2 . . . . . . . . . 7 VAL H parsed_6r9z 1 39 1 1 . . . . . . . . . 6 PRO QD parsed_6r9z 1 39 1 2 . . . . . . . . . 7 VAL H parsed_6r9z 1 40 1 1 . . . . . . . . . 7 VAL HA parsed_6r9z 1 40 1 2 . . . . . . . . . 8 PRO QD parsed_6r9z 1 41 1 1 . . . . . . . . . 7 VAL QQG parsed_6r9z 1 41 1 2 . . . . . . . . . 8 PRO QD parsed_6r9z 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 . . . . . . . 4.50 parsed_6r9z 1 2 1 . . . . . . . 4.50 parsed_6r9z 1 3 1 . . . . . . . 4.57 parsed_6r9z 1 4 1 . . . . . . . 3.13 parsed_6r9z 1 5 1 . . . . . . . 4.70 parsed_6r9z 1 6 1 . . . . . . . 2.96 parsed_6r9z 1 7 1 . . . . . . . 3.73 parsed_6r9z 1 8 1 . . . . . . . 4.79 parsed_6r9z 1 9 1 . . . . . . . 2.93 parsed_6r9z 1 10 1 . . . . . . . 2.96 parsed_6r9z 1 11 1 . . . . . . . 4.71 parsed_6r9z 1 12 1 . . . . . . . 4.50 parsed_6r9z 1 13 1 . . . . . . . 4.50 parsed_6r9z 1 14 1 . . . . . . . 4.72 parsed_6r9z 1 15 1 . . . . . . . 2.53 parsed_6r9z 1 16 1 . . . . . . . 3.23 parsed_6r9z 1 17 1 . . . . . . . 3.90 parsed_6r9z 1 18 1 . . . . . . . 2.86 parsed_6r9z 1 19 1 . . . . . . . 3.15 parsed_6r9z 1 20 1 . . . . . . . 3.52 parsed_6r9z 1 21 1 . . . . . . . 2.98 parsed_6r9z 1 22 1 . . . . . . . 3.67 parsed_6r9z 1 23 1 . . . . . . . 3.27 parsed_6r9z 1 24 1 . . . . . . . 4.71 parsed_6r9z 1 25 1 . . . . . . . 2.86 parsed_6r9z 1 26 1 . . . . . . . 2.67 parsed_6r9z 1 27 1 . . . . . . . 3.92 parsed_6r9z 1 28 1 . . . . . . . 4.55 parsed_6r9z 1 29 1 . . . . . . . 3.18 parsed_6r9z 1 30 1 . . . . . . . 4.60 parsed_6r9z 1 31 1 . . . . . . . 3.69 parsed_6r9z 1 32 1 . . . . . . . 4.44 parsed_6r9z 1 33 1 . . . . . . . 3.15 parsed_6r9z 1 34 1 . . . . . . . 3.17 parsed_6r9z 1 35 1 . . . . . . . 2.68 parsed_6r9z 1 36 1 . . . . . . . 3.64 parsed_6r9z 1 37 1 . . . . . . . 4.21 parsed_6r9z 1 38 1 . . . . . . . 3.98 parsed_6r9z 1 39 1 . . . . . . . 4.86 parsed_6r9z 1 40 1 . . . . . . . 2.49 parsed_6r9z 1 41 1 . . . . . . . 4.04 parsed_6r9z 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 "Restraints file 1: PP_final.upl" 1 1 1 33 parsed_6r9z 1 2 "peak 4 #SUP 0.70 #QF 0.70" 2 49 2 81 parsed_6r9z 1 3 "peak 5 #SUP 1.00" 3 49 3 70 parsed_6r9z 1 4 "peak 16 #SUP 0.98 #QF 0.98" 4 49 4 81 parsed_6r9z 1 5 "peak 18 #SUP 0.81 #QF 0.81" 5 49 5 81 parsed_6r9z 1 6 "peak 22 #SUP 1.00" 6 49 6 70 parsed_6r9z 1 7 "peak 40 #SUP 1.00" 7 49 7 70 parsed_6r9z 1 8 "peak 54 #SUP 0.94 #QF 0.94" 8 49 8 81 parsed_6r9z 1 9 "peak 62 #SUP 0.92 #QF 0.92" 9 49 9 81 parsed_6r9z 1 10 "peak 64 #SUP 0.67 #QF 0.67" 10 49 10 81 parsed_6r9z 1 11 "peak 65 #SUP 1.00" 11 49 11 70 parsed_6r9z 1 12 "peak 70 #SUP 1.00" 12 49 12 70 parsed_6r9z 1 13 "peak 96 #SUP 1.00" 13 49 13 70 parsed_6r9z 1 14 "peak 97 #SUP 0.99 #QF 0.99" 14 49 14 81 parsed_6r9z 1 15 "peak 103 #SUP 0.99 #QF 0.99" 15 49 15 81 parsed_6r9z 1 16 "peak 148 #SUP 0.61 #QF 0.61" 16 49 16 81 parsed_6r9z 1 17 "peak 150 #SUP 0.78 #QF 0.78" 17 49 17 81 parsed_6r9z 1 18 "peak 154 #SUP 1.00" 18 49 18 70 parsed_6r9z 1 19 "peak 176 #SUP 0.93 #QF 0.93" 19 49 19 81 parsed_6r9z 1 20 "peak 189 #SUP 0.95 #QF 0.95" 20 49 20 81 parsed_6r9z 1 21 "peak 190 #SUP 1.00" 21 49 21 70 parsed_6r9z 1 22 "peak 201 #SUP 1.00" 22 49 22 70 parsed_6r9z 1 23 "peak 223 #SUP 0.87 #QF 0.87" 23 49 23 81 parsed_6r9z 1 24 "peak 226 #SUP 1.00" 24 49 24 70 parsed_6r9z 1 25 "peak 243 #SUP 0.99 #QF 0.33" 25 49 25 81 parsed_6r9z 1 26 "peak 246 #SUP 0.95 #QF 0.95" 26 49 26 81 parsed_6r9z 1 27 "peak 269 #SUP 1.00" 27 49 27 70 parsed_6r9z 1 28 "peak 272 #SUP 0.99 #QF 0.99" 28 49 28 81 parsed_6r9z 1 29 "peak 274 #SUP 1.00" 29 49 29 70 parsed_6r9z 1 30 "peak 51" 30 49 30 59 parsed_6r9z 1 31 "peak 177" 31 49 31 59 parsed_6r9z 1 32 "peak 20" 32 49 32 59 parsed_6r9z 1 33 "peak 122" 33 49 33 59 parsed_6r9z 1 34 "peak 121" 34 49 34 59 parsed_6r9z 1 35 "peak 97" 35 49 35 59 parsed_6r9z 1 36 "peak 170" 36 49 36 59 parsed_6r9z 1 37 "peak 174" 37 49 37 59 parsed_6r9z 1 38 "peak 243" 38 49 38 59 parsed_6r9z 1 39 "peak 151" 39 49 39 59 parsed_6r9z 1 40 "peak 153" 40 49 40 59 parsed_6r9z 1 41 "peak 65" 41 49 41 59 parsed_6r9z 1 42 "peak 70" 42 49 42 59 parsed_6r9z 1 stop_ save_
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