NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
566661 | 2md3 | 19470 | cing | 2-parsed | STAR | entry | full | 47 |
data_2md3_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_2md3 _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_2md3 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_2md3 _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 2md3 "Master copy" parsed_2md3 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_2md3 _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 2md3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2md3 1 1 2md3.mr . . DYANA/DIANA 2 distance NOE simple 33 parsed_2md3 1 1 2md3.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_2md3 1 1 2md3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2md3 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_2md3 _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 29-AUG-13 2MD3 *TITLE FRAGMENT BASED APPROACH AND BINDING BEHAVIOR OF LFAMPINB WITH *TITLE 2 LIPOPOLYSACCHARIDE:BIOPHYSICAL ASPECTS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LACTOTRANSFERRIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: LACTOFERRIN, LACTOFERRICIN-B, LFCIN-B; *COMPND 5 EC: 3.4.21.-; *COMPND 6 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: BOS TAURUS; *SOURCE 4 ORGANISM_COMMON: BOVINE; *SOURCE 5 ORGANISM_TAXID: 9913; *SOURCE 6 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. *KEYWDS ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 10 *AUTHOR A.BHUNIA, S.CHATTERJEE, A.GHOSH, J.JANA *REVDAT 1 25-SEP-13 2MD3 0 ; save_ save_DYANA/DIANA_distance_constraints_2 _Distance_constraint_list.Sf_category distance_constraints _Distance_constraint_list.Entry_ID parsed_2md3 _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_2md3 1 2 1 . . . parsed_2md3 1 3 1 . . . parsed_2md3 1 4 1 . . . parsed_2md3 1 5 1 . . . parsed_2md3 1 6 1 . . . parsed_2md3 1 7 1 . . . parsed_2md3 1 8 1 . . . parsed_2md3 1 9 1 . . . parsed_2md3 1 10 1 . . . parsed_2md3 1 11 1 . . . parsed_2md3 1 12 1 . . . parsed_2md3 1 13 1 . . . parsed_2md3 1 14 1 . . . parsed_2md3 1 15 1 . . . parsed_2md3 1 16 1 . . . parsed_2md3 1 17 1 . . . parsed_2md3 1 18 1 . . . parsed_2md3 1 19 1 . . . parsed_2md3 1 20 1 . . . parsed_2md3 1 21 1 . . . parsed_2md3 1 22 1 . . . parsed_2md3 1 23 1 . . . parsed_2md3 1 24 1 . . . parsed_2md3 1 25 1 . . . parsed_2md3 1 26 1 . . . parsed_2md3 1 27 1 . . . parsed_2md3 1 28 1 . . . parsed_2md3 1 29 1 . . . parsed_2md3 1 30 1 . . . parsed_2md3 1 31 1 . . . parsed_2md3 1 32 1 . . . parsed_2md3 1 33 1 . . . parsed_2md3 1 stop_ loop_ _Dist_constraint.Tree_node_member_constraint_ID _Dist_constraint.Tree_node_member_node_ID _Dist_constraint.Constraint_tree_node_member_ID _Dist_constraint.Assembly_atom_ID _Dist_constraint.Entity_assembly_ID _Dist_constraint.Entity_ID _Dist_constraint.Comp_index_ID _Dist_constraint.Seq_ID _Dist_constraint.Comp_ID _Dist_constraint.Atom_ID _Dist_constraint.Resonance_ID _Dist_constraint.Auth_asym_ID _Dist_constraint.Auth_seq_ID _Dist_constraint.Auth_comp_ID _Dist_constraint.Auth_atom_ID _Dist_constraint.Entry_ID _Dist_constraint.Distance_constraint_list_ID 1 1 1 . . . . . . . . . 1 LYS QB parsed_2md3 1 1 1 2 . . . . . . . . . 1 LYS H parsed_2md3 1 2 1 1 . . . . . . . . . 1 LYS QG parsed_2md3 1 2 1 2 . . . . . . . . . 1 LYS H parsed_2md3 1 3 1 1 . . . . . . . . . 1 LYS QD parsed_2md3 1 3 1 2 . . . . . . . . . 1 LYS H parsed_2md3 1 4 1 1 . . . . . . . . . 1 LYS HA parsed_2md3 1 4 1 2 . . . . . . . . . 2 PHE H parsed_2md3 1 5 1 1 . . . . . . . . . 2 PHE QB parsed_2md3 1 5 1 2 . . . . . . . . . 2 PHE H parsed_2md3 1 6 1 1 . . . . . . . . . 2 PHE HA parsed_2md3 1 6 1 2 . . . . . . . . . 3 GLY H parsed_2md3 1 7 1 1 . . . . . . . . . 3 GLY HA parsed_2md3 1 7 1 2 . . . . . . . . . 4 LYS H parsed_2md3 1 8 1 1 . . . . . . . . . 3 GLY HA parsed_2md3 1 8 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 9 1 1 . . . . . . . . . 4 LYS QB parsed_2md3 1 9 1 2 . . . . . . . . . 4 LYS H parsed_2md3 1 10 1 1 . . . . . . . . . 4 LYS QD parsed_2md3 1 10 1 2 . . . . . . . . . 4 LYS H parsed_2md3 1 11 1 1 . . . . . . . . . 4 LYS QG parsed_2md3 1 11 1 2 . . . . . . . . . 4 LYS H parsed_2md3 1 12 1 1 . . . . . . . . . 4 LYS HA parsed_2md3 1 12 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 13 1 1 . . . . . . . . . 4 LYS QB parsed_2md3 1 13 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 14 1 1 . . . . . . . . . 4 LYS QD parsed_2md3 1 14 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 15 1 1 . . . . . . . . . 4 LYS QG parsed_2md3 1 15 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 16 1 1 . . . . . . . . . 5 ASN HA parsed_2md3 1 16 1 2 . . . . . . . . . 6 LYS H parsed_2md3 1 17 1 1 . . . . . . . . . 5 ASN QB parsed_2md3 1 17 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 18 1 1 . . . . . . . . . 6 LYS QB parsed_2md3 1 18 1 2 . . . . . . . . . 6 LYS H parsed_2md3 1 19 1 1 . . . . . . . . . 6 LYS QD parsed_2md3 1 19 1 2 . . . . . . . . . 6 LYS H parsed_2md3 1 20 1 1 . . . . . . . . . 6 LYS QG parsed_2md3 1 20 1 2 . . . . . . . . . 6 LYS H parsed_2md3 1 21 1 1 . . . . . . . . . 6 LYS HA parsed_2md3 1 21 1 2 . . . . . . . . . 7 SER H parsed_2md3 1 22 1 1 . . . . . . . . . 7 SER HA parsed_2md3 1 22 1 2 . . . . . . . . . 8 ARG H parsed_2md3 1 23 1 1 . . . . . . . . . 7 SER QB parsed_2md3 1 23 1 2 . . . . . . . . . 7 SER H parsed_2md3 1 24 1 1 . . . . . . . . . 8 ARG HA parsed_2md3 1 24 1 2 . . . . . . . . . 8 ARG H parsed_2md3 1 25 1 1 . . . . . . . . . 8 ARG QB parsed_2md3 1 25 1 2 . . . . . . . . . 8 ARG H parsed_2md3 1 26 1 1 . . . . . . . . . 8 ARG QD parsed_2md3 1 26 1 2 . . . . . . . . . 8 ARG H parsed_2md3 1 27 1 1 . . . . . . . . . 1 LYS H parsed_2md3 1 27 1 2 . . . . . . . . . 2 PHE H parsed_2md3 1 28 1 1 . . . . . . . . . 2 PHE H parsed_2md3 1 28 1 2 . . . . . . . . . 3 GLY H parsed_2md3 1 29 1 1 . . . . . . . . . 3 GLY H parsed_2md3 1 29 1 2 . . . . . . . . . 4 LYS H parsed_2md3 1 30 1 1 . . . . . . . . . 4 LYS H parsed_2md3 1 30 1 2 . . . . . . . . . 5 ASN H parsed_2md3 1 31 1 1 . . . . . . . . . 5 ASN H parsed_2md3 1 31 1 2 . . . . . . . . . 6 LYS H parsed_2md3 1 32 1 1 . . . . . . . . . 6 LYS H parsed_2md3 1 32 1 2 . . . . . . . . . 7 SER H parsed_2md3 1 33 1 1 . . . . . . . . . 7 SER H parsed_2md3 1 33 1 2 . . . . . . . . . 8 ARG H parsed_2md3 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 . . . . . . . 3.3 parsed_2md3 1 2 1 . . . . . . . 3.8 parsed_2md3 1 3 1 . . . . . . . 4.0 parsed_2md3 1 4 1 . . . . . . . 3.0 parsed_2md3 1 5 1 . . . . . . . 3.3 parsed_2md3 1 6 1 . . . . . . . 3.5 parsed_2md3 1 7 1 . . . . . . . 3.3 parsed_2md3 1 8 1 . . . . . . . 4.0 parsed_2md3 1 9 1 . . . . . . . 3.3 parsed_2md3 1 10 1 . . . . . . . 3.8 parsed_2md3 1 11 1 . . . . . . . 4.0 parsed_2md3 1 12 1 . . . . . . . 3.3 parsed_2md3 1 13 1 . . . . . . . 3.3 parsed_2md3 1 14 1 . . . . . . . 3.8 parsed_2md3 1 15 1 . . . . . . . 4.0 parsed_2md3 1 16 1 . . . . . . . 3.4 parsed_2md3 1 17 1 . . . . . . . 3.8 parsed_2md3 1 18 1 . . . . . . . 3.3 parsed_2md3 1 19 1 . . . . . . . 3.8 parsed_2md3 1 20 1 . . . . . . . 4.0 parsed_2md3 1 21 1 . . . . . . . 3.6 parsed_2md3 1 22 1 . . . . . . . 3.6 parsed_2md3 1 23 1 . . . . . . . 3.8 parsed_2md3 1 24 1 . . . . . . . 3.8 parsed_2md3 1 25 1 . . . . . . . 3.8 parsed_2md3 1 26 1 . . . . . . . 4.0 parsed_2md3 1 27 1 . . . . . . . 2.8 parsed_2md3 1 28 1 . . . . . . . 2.8 parsed_2md3 1 29 1 . . . . . . . 2.8 parsed_2md3 1 30 1 . . . . . . . 2.8 parsed_2md3 1 31 1 . . . . . . . 2.8 parsed_2md3 1 32 1 . . . . . . . 2.8 parsed_2md3 1 33 1 . . . . . . . 2.8 parsed_2md3 1 stop_ save_ save_DYANA/DIANA_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_2md3 _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 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 1 LYS . . . . . . . . . . . . . parsed_2md3 1 2 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 2 PHE . . . . . . . . . . . . . parsed_2md3 1 3 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 2 PHE . . . . . . . . . . . . . parsed_2md3 1 4 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 3 GLY . . . . . . . . . . . . . parsed_2md3 1 5 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 3 GLY . . . . . . . . . . . . . parsed_2md3 1 6 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 4 LYS . . . . . . . . . . . . . parsed_2md3 1 7 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 4 LYS . . . . . . . . . . . . . parsed_2md3 1 8 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 5 ASN . . . . . . . . . . . . . parsed_2md3 1 9 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 5 ASN . . . . . . . . . . . . . parsed_2md3 1 10 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 6 LYS . . . . . . . . . . . . . parsed_2md3 1 11 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 6 LYS . . . . . . . . . . . . . parsed_2md3 1 12 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 7 SER . . . . . . . . . . . . . parsed_2md3 1 13 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 120 . . 7 SER . . . . . . . . . . . . . parsed_2md3 1 14 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120 -30 . . 8 ARG . . . . . . . . . . . . . parsed_2md3 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 "Torsion angle constraints" 1 1 1 28 parsed_2md3 1 2 "generated from HA secondary chemical shifts" 2 1 2 49 parsed_2md3 1 stop_ save_
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