data_c25191_2mty ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25191_2mty _Entry.Title ; 3D structure determination of STARP peptides implicated in P. falciparum invasion of hepatic cells ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-09-01 _Entry.Accession_date 2014-09-01 _Entry.Last_release_date 2014-10-07 _Entry.Original_release_date 2014-10-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bermudez Adriana . . . c25191_2mty 2 Alba Martha . . . c25191_2mty 3 Vanegas Magnolia . . . c25191_2mty 4 Patarroyo 'Manuel E.' . . . c25191_2mty stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . c25191_2mty stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Peptide of STARP from P. falciparum' . c25191_2mty Sporozoite . c25191_2mty stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25191_2mty stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 140 c25191_2mty stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-10-07 2014-09-01 original author . c25191_2mty stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MTY 'BMRB Entry Tracking System' c25191_2mty BMRB 25200 'STARP peptide 20570' c25191_2mty stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25191_2mty _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20580741 _Citation.Full_citation . _Citation.Title ; 3D structure determination of STARP peptides implicated in P. falciparum invasion of hepatic cells ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Vaccine _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 4989 _Citation.Page_last 4996 _Citation.Year 2010 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Adriana Bermudez A. . . c25191_2mty 1 2 'Martha Patricia' Alba M. P. . c25191_2mty 1 3 Magnolia Vanegas M. . . c25191_2mty 1 4 'Manuel Elkin' Patarroyo M. E. . c25191_2mty 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25191_2mty _Assembly.ID 1 _Assembly.Name 'STARP peptide 20546' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . c25191_2mty 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25191_2mty _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code VIKHNRFLSEYQSNFLGGGY _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 20 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2332.617 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-11-23 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no EMBL CAA81224 . 'STARP antigen [Plasmodium falciparum]' . . . . . 100.00 604 100.00 100.00 1.80e-05 . . . . c25191_2mty 1 2 no EMBL CAA82996 . 'STARP antigen [Plasmodium reichenowi]' . . . . . 100.00 655 100.00 100.00 1.30e-05 . . . . c25191_2mty 1 3 no EMBL CAD50796 . 'STARP antigen [Plasmodium falciparum 3D7]' . . . . . 100.00 594 100.00 100.00 1.93e-05 . . . . c25191_2mty 1 4 no EMBL CDO63500 . 'sporozoite threonine and asparagine-rich protein [Plasmodium reichenowi]' . . . . . 100.00 564 100.00 100.00 2.61e-05 . . . . c25191_2mty 1 5 no GB AAF21035 . 'STARP antigen [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 2.41e-05 . . . . c25191_2mty 1 6 no GB ABZ79507 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 2.25e-05 . . . . c25191_2mty 1 7 no GB ABZ79508 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 2.25e-05 . . . . c25191_2mty 1 8 no GB ABZ79509 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 2.25e-05 . . . . c25191_2mty 1 9 no GB ABZ79510 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 2.25e-05 . . . . c25191_2mty 1 10 no REF XP_001348958 . 'STARP antigen [Plasmodium falciparum 3D7]' . . . . . 100.00 594 100.00 100.00 1.93e-05 . . . . c25191_2mty 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 VAL . c25191_2mty 1 2 2 ILE . c25191_2mty 1 3 3 LYS . c25191_2mty 1 4 4 HIS . c25191_2mty 1 5 5 ASN . c25191_2mty 1 6 6 ARG . c25191_2mty 1 7 7 PHE . c25191_2mty 1 8 8 LEU . c25191_2mty 1 9 9 SER . c25191_2mty 1 10 10 GLU . c25191_2mty 1 11 11 TYR . c25191_2mty 1 12 12 GLN . c25191_2mty 1 13 13 SER . c25191_2mty 1 14 14 ASN . c25191_2mty 1 15 15 PHE . c25191_2mty 1 16 16 LEU . c25191_2mty 1 17 17 GLY . c25191_2mty 1 18 18 GLY . c25191_2mty 1 19 19 GLY . c25191_2mty 1 20 20 TYR . c25191_2mty 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . VAL 1 1 c25191_2mty 1 . ILE 2 2 c25191_2mty 1 . LYS 3 3 c25191_2mty 1 . HIS 4 4 c25191_2mty 1 . ASN 5 5 c25191_2mty 1 . ARG 6 6 c25191_2mty 1 . PHE 7 7 c25191_2mty 1 . LEU 8 8 c25191_2mty 1 . SER 9 9 c25191_2mty 1 . GLU 10 10 c25191_2mty 1 . TYR 11 11 c25191_2mty 1 . GLN 12 12 c25191_2mty 1 . SER 13 13 c25191_2mty 1 . ASN 14 14 c25191_2mty 1 . PHE 15 15 c25191_2mty 1 . LEU 16 16 c25191_2mty 1 . GLY 17 17 c25191_2mty 1 . GLY 18 18 c25191_2mty 1 . GLY 19 19 c25191_2mty 1 . TYR 20 20 c25191_2mty 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID c25191_2mty _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 5833 organism . 'Plasmodium falciparum' 'malaria parasite' . . Eukaryota . Plasmodium falciparum . . . . . . . . . . . . . . . . . . . . . c25191_2mty 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID c25191_2mty _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . NA . . NA . . . . . . c25191_2mty 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25191_2mty _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'trifluoroethanol/water (30/70)' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity 'natural abundance' . . 1 $entity . . 8 . . mM . . . . c25191_2mty 1 2 trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c25191_2mty 1 3 water 'natural abundance' . . . . . . 70 . . % . . . . c25191_2mty 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID c25191_2mty _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 295 . K c25191_2mty 1 pH 3.9 . pH c25191_2mty 1 pressure 1 . atm c25191_2mty 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25191_2mty _Software.ID 1 _Software.Name InsightII _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . c25191_2mty 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25191_2mty 1 refinement c25191_2mty 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID c25191_2mty _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID c25191_2mty _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . c25191_2mty 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID c25191_2mty _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25191_2mty 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25191_2mty 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25191_2mty 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID c25191_2mty _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . c25191_2mty 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c25191_2mty 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c25191_2mty 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . c25191_2mty 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID c25191_2mty _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D DQF-COSY' . . . c25191_2mty 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $InsightII . . c25191_2mty 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 VAL H H 1 8.000 0.02 . 1 . . . . 1 VAL H . c25191_2mty 1 2 . 1 1 1 1 VAL HA H 1 3.850 0.02 . 1 . . . . 1 VAL HA . c25191_2mty 1 3 . 1 1 1 1 VAL HB H 1 1.960 0.02 . 1 . . . . 1 VAL HB . c25191_2mty 1 4 . 1 1 1 1 VAL HG11 H 1 0.910 0.02 . 2 . . . . 1 VAL HG1 . c25191_2mty 1 5 . 1 1 1 1 VAL HG12 H 1 0.910 0.02 . 2 . . . . 1 VAL HG1 . c25191_2mty 1 6 . 1 1 1 1 VAL HG13 H 1 0.910 0.02 . 2 . . . . 1 VAL HG1 . c25191_2mty 1 7 . 1 1 1 1 VAL HG21 H 1 0.870 0.02 . 2 . . . . 1 VAL HG2 . c25191_2mty 1 8 . 1 1 1 1 VAL HG22 H 1 0.870 0.02 . 2 . . . . 1 VAL HG2 . c25191_2mty 1 9 . 1 1 1 1 VAL HG23 H 1 0.870 0.02 . 2 . . . . 1 VAL HG2 . c25191_2mty 1 10 . 1 1 2 2 ILE H H 1 7.850 0.02 . 1 . . . . 2 ILE H . c25191_2mty 1 11 . 1 1 2 2 ILE HA H 1 4.000 0.02 . 1 . . . . 2 ILE HA . c25191_2mty 1 12 . 1 1 2 2 ILE HB H 1 1.800 0.02 . 1 . . . . 2 ILE HB . c25191_2mty 1 13 . 1 1 2 2 ILE HG12 H 1 0.800 0.02 . 1 . . . . 2 ILE HG1 . c25191_2mty 1 14 . 1 1 2 2 ILE HG13 H 1 0.800 0.02 . 1 . . . . 2 ILE HG1 . c25191_2mty 1 15 . 1 1 2 2 ILE HG21 H 1 0.800 0.02 . 1 . . . . 2 ILE HG2 . c25191_2mty 1 16 . 1 1 2 2 ILE HG22 H 1 0.800 0.02 . 1 . . . . 2 ILE HG2 . c25191_2mty 1 17 . 1 1 2 2 ILE HG23 H 1 0.800 0.02 . 1 . . . . 2 ILE HG2 . c25191_2mty 1 18 . 1 1 3 3 LYS H H 1 7.950 0.02 . 1 . . . . 3 LYS H . c25191_2mty 1 19 . 1 1 3 3 LYS HA H 1 4.100 0.02 . 1 . . . . 3 LYS HA . c25191_2mty 1 20 . 1 1 3 3 LYS HB2 H 1 1.710 0.02 . 1 . . . . 3 LYS HB2 . c25191_2mty 1 21 . 1 1 3 3 LYS HB3 H 1 1.710 0.02 . 1 . . . . 3 LYS HB3 . c25191_2mty 1 22 . 1 1 3 3 LYS HG2 H 1 1.390 0.02 . 1 . . . . 3 LYS HG2 . c25191_2mty 1 23 . 1 1 3 3 LYS HG3 H 1 1.390 0.02 . 1 . . . . 3 LYS HG3 . c25191_2mty 1 24 . 1 1 3 3 LYS HD2 H 1 1.660 0.02 . 1 . . . . 3 LYS HD2 . c25191_2mty 1 25 . 1 1 3 3 LYS HD3 H 1 1.660 0.02 . 1 . . . . 3 LYS HD3 . c25191_2mty 1 26 . 1 1 3 3 LYS HE2 H 1 3.020 0.02 . 1 . . . . 3 LYS HE2 . c25191_2mty 1 27 . 1 1 3 3 LYS HE3 H 1 3.020 0.02 . 1 . . . . 3 LYS HE3 . c25191_2mty 1 28 . 1 1 4 4 HIS H H 1 8.160 0.02 . 1 . . . . 4 HIS H . c25191_2mty 1 29 . 1 1 4 4 HIS HA H 1 4.230 0.02 . 1 . . . . 4 HIS HA . c25191_2mty 1 30 . 1 1 4 4 HIS HB2 H 1 2.960 0.02 . 2 . . . . 4 HIS HB2 . c25191_2mty 1 31 . 1 1 4 4 HIS HB3 H 1 2.770 0.02 . 2 . . . . 4 HIS HB3 . c25191_2mty 1 32 . 1 1 4 4 HIS HD2 H 1 7.150 0.02 . 1 . . . . 4 HIS HD2 . c25191_2mty 1 33 . 1 1 4 4 HIS HE2 H 1 8.260 0.02 . 1 . . . . 4 HIS HE2 . c25191_2mty 1 34 . 1 1 5 5 ASN H H 1 8.000 0.02 . 1 . . . . 5 ASN H . c25191_2mty 1 35 . 1 1 5 5 ASN HA H 1 4.480 0.02 . 1 . . . . 5 ASN HA . c25191_2mty 1 36 . 1 1 5 5 ASN HB2 H 1 2.540 0.02 . 1 . . . . 5 ASN HB2 . c25191_2mty 1 37 . 1 1 5 5 ASN HB3 H 1 2.540 0.02 . 1 . . . . 5 ASN HB3 . c25191_2mty 1 38 . 1 1 5 5 ASN HD21 H 1 7.500 0.02 . 2 . . . . 5 ASN HD21 . c25191_2mty 1 39 . 1 1 5 5 ASN HD22 H 1 6.800 0.02 . 2 . . . . 5 ASN HD22 . c25191_2mty 1 40 . 1 1 6 6 ARG H H 1 8.410 0.02 . 1 . . . . 6 ARG H . c25191_2mty 1 41 . 1 1 6 6 ARG HA H 1 4.080 0.02 . 1 . . . . 6 ARG HA . c25191_2mty 1 42 . 1 1 6 6 ARG HB2 H 1 1.720 0.02 . 1 . . . . 6 ARG HB2 . c25191_2mty 1 43 . 1 1 6 6 ARG HB3 H 1 1.720 0.02 . 1 . . . . 6 ARG HB3 . c25191_2mty 1 44 . 1 1 6 6 ARG HG2 H 1 1.450 0.02 . 1 . . . . 6 ARG HG2 . c25191_2mty 1 45 . 1 1 6 6 ARG HG3 H 1 1.450 0.02 . 1 . . . . 6 ARG HG3 . c25191_2mty 1 46 . 1 1 6 6 ARG HD2 H 1 3.200 0.02 . 1 . . . . 6 ARG HD2 . c25191_2mty 1 47 . 1 1 6 6 ARG HD3 H 1 3.200 0.02 . 1 . . . . 6 ARG HD3 . c25191_2mty 1 48 . 1 1 6 6 ARG HH11 H 1 7.180 0.02 . 1 . . . . 6 ARG HH11 . c25191_2mty 1 49 . 1 1 6 6 ARG HH12 H 1 7.180 0.02 . 1 . . . . 6 ARG HH12 . c25191_2mty 1 50 . 1 1 7 7 PHE H H 1 8.270 0.02 . 1 . . . . 7 PHE H . c25191_2mty 1 51 . 1 1 7 7 PHE HA H 1 4.520 0.02 . 1 . . . . 7 PHE HA . c25191_2mty 1 52 . 1 1 7 7 PHE HB2 H 1 3.250 0.02 . 2 . . . . 7 PHE HB2 . c25191_2mty 1 53 . 1 1 7 7 PHE HB3 H 1 3.130 0.02 . 2 . . . . 7 PHE HB3 . c25191_2mty 1 54 . 1 1 7 7 PHE HD1 H 1 7.310 0.02 . 3 . . . . 7 PHE HD1 . c25191_2mty 1 55 . 1 1 7 7 PHE HD2 H 1 7.220 0.02 . 3 . . . . 7 PHE HD2 . c25191_2mty 1 56 . 1 1 7 7 PHE HE1 H 1 7.310 0.02 . 1 . . . . 7 PHE HE1 . c25191_2mty 1 57 . 1 1 7 7 PHE HE2 H 1 7.310 0.02 . 1 . . . . 7 PHE HE2 . c25191_2mty 1 58 . 1 1 8 8 LEU H H 1 7.900 0.02 . 1 . . . . 8 LEU H . c25191_2mty 1 59 . 1 1 8 8 LEU HA H 1 4.200 0.02 . 1 . . . . 8 LEU HA . c25191_2mty 1 60 . 1 1 8 8 LEU HB2 H 1 1.650 0.02 . 2 . . . . 8 LEU HB2 . c25191_2mty 1 61 . 1 1 8 8 LEU HB3 H 1 1.500 0.02 . 2 . . . . 8 LEU HB3 . c25191_2mty 1 62 . 1 1 8 8 LEU HG H 1 1.700 0.02 . 1 . . . . 8 LEU HG . c25191_2mty 1 63 . 1 1 8 8 LEU HD11 H 1 0.800 0.02 . 1 . . . . 8 LEU HD1 . c25191_2mty 1 64 . 1 1 8 8 LEU HD12 H 1 0.800 0.02 . 1 . . . . 8 LEU HD1 . c25191_2mty 1 65 . 1 1 8 8 LEU HD13 H 1 0.800 0.02 . 1 . . . . 8 LEU HD1 . c25191_2mty 1 66 . 1 1 8 8 LEU HD21 H 1 0.800 0.02 . 1 . . . . 8 LEU HD2 . c25191_2mty 1 67 . 1 1 8 8 LEU HD22 H 1 0.800 0.02 . 1 . . . . 8 LEU HD2 . c25191_2mty 1 68 . 1 1 8 8 LEU HD23 H 1 0.800 0.02 . 1 . . . . 8 LEU HD2 . c25191_2mty 1 69 . 1 1 9 9 SER H H 1 8.080 0.02 . 1 . . . . 9 SER H . c25191_2mty 1 70 . 1 1 9 9 SER HA H 1 4.250 0.02 . 1 . . . . 9 SER HA . c25191_2mty 1 71 . 1 1 9 9 SER HB2 H 1 3.980 0.02 . 2 . . . . 9 SER HB2 . c25191_2mty 1 72 . 1 1 9 9 SER HB3 H 1 3.950 0.02 . 2 . . . . 9 SER HB3 . c25191_2mty 1 73 . 1 1 10 10 GLU H H 1 8.090 0.02 . 1 . . . . 10 GLU H . c25191_2mty 1 74 . 1 1 10 10 GLU HA H 1 4.100 0.02 . 1 . . . . 10 GLU HA . c25191_2mty 1 75 . 1 1 10 10 GLU HB2 H 1 2.360 0.02 . 2 . . . . 10 GLU HB2 . c25191_2mty 1 76 . 1 1 10 10 GLU HB3 H 1 2.260 0.02 . 2 . . . . 10 GLU HB3 . c25191_2mty 1 77 . 1 1 10 10 GLU HG2 H 1 2.050 0.02 . 1 . . . . 10 GLU HG2 . c25191_2mty 1 78 . 1 1 10 10 GLU HG3 H 1 2.050 0.02 . 1 . . . . 10 GLU HG3 . c25191_2mty 1 79 . 1 1 11 11 TYR H H 1 7.970 0.02 . 1 . . . . 11 TYR H . c25191_2mty 1 80 . 1 1 11 11 TYR HA H 1 4.390 0.02 . 1 . . . . 11 TYR HA . c25191_2mty 1 81 . 1 1 11 11 TYR HB2 H 1 3.030 0.02 . 2 . . . . 11 TYR HB2 . c25191_2mty 1 82 . 1 1 11 11 TYR HB3 H 1 2.880 0.02 . 2 . . . . 11 TYR HB3 . c25191_2mty 1 83 . 1 1 11 11 TYR HD1 H 1 7.200 0.02 . 1 . . . . 11 TYR HD1 . c25191_2mty 1 84 . 1 1 11 11 TYR HD2 H 1 7.200 0.02 . 1 . . . . 11 TYR HD2 . c25191_2mty 1 85 . 1 1 11 11 TYR HE1 H 1 7.300 0.02 . 1 . . . . 11 TYR HE1 . c25191_2mty 1 86 . 1 1 11 11 TYR HE2 H 1 7.300 0.02 . 1 . . . . 11 TYR HE2 . c25191_2mty 1 87 . 1 1 12 12 GLN H H 1 8.180 0.02 . 1 . . . . 12 GLN H . c25191_2mty 1 88 . 1 1 12 12 GLN HA H 1 4.060 0.02 . 1 . . . . 12 GLN HA . c25191_2mty 1 89 . 1 1 12 12 GLN HB2 H 1 2.380 0.02 . 2 . . . . 12 GLN HB2 . c25191_2mty 1 90 . 1 1 12 12 GLN HB3 H 1 2.290 0.02 . 2 . . . . 12 GLN HB3 . c25191_2mty 1 91 . 1 1 12 12 GLN HG2 H 1 2.070 0.02 . 1 . . . . 12 GLN HG2 . c25191_2mty 1 92 . 1 1 12 12 GLN HG3 H 1 2.070 0.02 . 1 . . . . 12 GLN HG3 . c25191_2mty 1 93 . 1 1 12 12 GLN HE21 H 1 7.480 0.02 . 2 . . . . 12 GLN HE21 . c25191_2mty 1 94 . 1 1 12 12 GLN HE22 H 1 6.650 0.02 . 2 . . . . 12 GLN HE22 . c25191_2mty 1 95 . 1 1 13 13 SER H H 1 8.040 0.02 . 1 . . . . 13 SER H . c25191_2mty 1 96 . 1 1 13 13 SER HA H 1 4.180 0.02 . 1 . . . . 13 SER HA . c25191_2mty 1 97 . 1 1 13 13 SER HB2 H 1 3.950 0.02 . 2 . . . . 13 SER HB2 . c25191_2mty 1 98 . 1 1 13 13 SER HB3 H 1 3.890 0.02 . 2 . . . . 13 SER HB3 . c25191_2mty 1 99 . 1 1 14 14 ASN H H 1 8.350 0.02 . 1 . . . . 14 ASN H . c25191_2mty 1 100 . 1 1 14 14 ASN HA H 1 4.550 0.02 . 1 . . . . 14 ASN HA . c25191_2mty 1 101 . 1 1 14 14 ASN HB2 H 1 2.770 0.02 . 1 . . . . 14 ASN HB2 . c25191_2mty 1 102 . 1 1 14 14 ASN HB3 H 1 2.770 0.02 . 1 . . . . 14 ASN HB3 . c25191_2mty 1 103 . 1 1 14 14 ASN HD21 H 1 7.510 0.02 . 2 . . . . 14 ASN HD21 . c25191_2mty 1 104 . 1 1 14 14 ASN HD22 H 1 6.920 0.02 . 2 . . . . 14 ASN HD22 . c25191_2mty 1 105 . 1 1 15 15 PHE H H 1 8.090 0.02 . 1 . . . . 15 PHE H . c25191_2mty 1 106 . 1 1 15 15 PHE HA H 1 4.380 0.02 . 1 . . . . 15 PHE HA . c25191_2mty 1 107 . 1 1 15 15 PHE HB2 H 1 3.120 0.02 . 2 . . . . 15 PHE HB2 . c25191_2mty 1 108 . 1 1 15 15 PHE HB3 H 1 3.070 0.02 . 2 . . . . 15 PHE HB3 . c25191_2mty 1 109 . 1 1 15 15 PHE HD1 H 1 7.300 0.02 . 3 . . . . 15 PHE HD1 . c25191_2mty 1 110 . 1 1 15 15 PHE HD2 H 1 7.120 0.02 . 3 . . . . 15 PHE HD2 . c25191_2mty 1 111 . 1 1 15 15 PHE HE1 H 1 7.300 0.02 . 1 . . . . 15 PHE HE1 . c25191_2mty 1 112 . 1 1 15 15 PHE HE2 H 1 7.300 0.02 . 1 . . . . 15 PHE HE2 . c25191_2mty 1 113 . 1 1 16 16 LEU H H 1 8.010 0.02 . 1 . . . . 16 LEU H . c25191_2mty 1 114 . 1 1 16 16 LEU HA H 1 3.900 0.02 . 1 . . . . 16 LEU HA . c25191_2mty 1 115 . 1 1 16 16 LEU HB2 H 1 1.750 0.02 . 1 . . . . 16 LEU HB2 . c25191_2mty 1 116 . 1 1 16 16 LEU HB3 H 1 1.750 0.02 . 1 . . . . 16 LEU HB3 . c25191_2mty 1 117 . 1 1 16 16 LEU HG H 1 1.640 0.02 . 1 . . . . 16 LEU HG . c25191_2mty 1 118 . 1 1 16 16 LEU HD11 H 1 0.720 0.02 . 1 . . . . 16 LEU MD1 . c25191_2mty 1 119 . 1 1 16 16 LEU HD12 H 1 0.720 0.02 . 1 . . . . 16 LEU MD1 . c25191_2mty 1 120 . 1 1 16 16 LEU HD13 H 1 0.720 0.02 . 1 . . . . 16 LEU MD1 . c25191_2mty 1 121 . 1 1 16 16 LEU HD21 H 1 0.720 0.02 . 1 . . . . 16 LEU MD2 . c25191_2mty 1 122 . 1 1 16 16 LEU HD22 H 1 0.720 0.02 . 1 . . . . 16 LEU MD2 . c25191_2mty 1 123 . 1 1 16 16 LEU HD23 H 1 0.720 0.02 . 1 . . . . 16 LEU MD2 . c25191_2mty 1 124 . 1 1 17 17 GLY H H 1 8.130 0.02 . 1 . . . . 17 GLY H . c25191_2mty 1 125 . 1 1 17 17 GLY HA2 H 1 3.800 0.02 . 1 . . . . 17 GLY HA2 . c25191_2mty 1 126 . 1 1 17 17 GLY HA3 H 1 3.800 0.02 . 1 . . . . 17 GLY HA3 . c25191_2mty 1 127 . 1 1 18 18 GLY H H 1 8.130 0.02 . 1 . . . . 18 GLY H . c25191_2mty 1 128 . 1 1 18 18 GLY HA2 H 1 3.760 0.02 . 1 . . . . 18 GLY HA2 . c25191_2mty 1 129 . 1 1 18 18 GLY HA3 H 1 3.760 0.02 . 1 . . . . 18 GLY HA3 . c25191_2mty 1 130 . 1 1 19 19 GLY H H 1 7.900 0.02 . 1 . . . . 19 GLY H . c25191_2mty 1 131 . 1 1 19 19 GLY HA2 H 1 3.850 0.02 . 1 . . . . 19 GLY HA2 . c25191_2mty 1 132 . 1 1 19 19 GLY HA3 H 1 3.850 0.02 . 1 . . . . 19 GLY HA3 . c25191_2mty 1 133 . 1 1 20 20 TYR H H 1 7.840 0.02 . 1 . . . . 20 TYR H . c25191_2mty 1 134 . 1 1 20 20 TYR HA H 1 4.500 0.02 . 1 . . . . 20 TYR HA . c25191_2mty 1 135 . 1 1 20 20 TYR HB2 H 1 2.990 0.02 . 2 . . . . 20 TYR HB2 . c25191_2mty 1 136 . 1 1 20 20 TYR HB3 H 1 2.810 0.02 . 2 . . . . 20 TYR HB3 . c25191_2mty 1 137 . 1 1 20 20 TYR HD1 H 1 7.230 0.02 . 1 . . . . 20 TYR HD1 . c25191_2mty 1 138 . 1 1 20 20 TYR HD2 H 1 7.230 0.02 . 1 . . . . 20 TYR HD2 . c25191_2mty 1 139 . 1 1 20 20 TYR HE1 H 1 7.330 0.02 . 1 . . . . 20 TYR HE1 . c25191_2mty 1 140 . 1 1 20 20 TYR HE2 H 1 7.330 0.02 . 1 . . . . 20 TYR HE2 . c25191_2mty 1 stop_ save_ ############################## # Structure determinations # ############################## ########################## # Conformer statistics # ########################## save_conformer_statistics _Conformer_stat_list.Sf_category conformer_statistics _Conformer_stat_list.Sf_framecode conformer_statistics _Conformer_stat_list.Entry_ID c25191_2mty _Conformer_stat_list.ID 1 _Conformer_stat_list.Conf_family_coord_set_ID 1 _Conformer_stat_list.Conf_family_coord_set_label $Original_constraints_and_structures _Conformer_stat_list.Conformer_submitted_total_num 1 save_ ##################################### # Conformer family coordinate set # ##################################### save_ensemble_of_conformers _Conformer_family_coord_set.Sf_category conformer_family_coord_set _Conformer_family_coord_set.Sf_framecode ensemble_of_conformers _Conformer_family_coord_set.Entry_ID c25191_2mty _Conformer_family_coord_set.ID 1 loop_ _Conformer_family_refinement.Refine_method _Conformer_family_refinement.Refine_details _Conformer_family_refinement.Software_ID _Conformer_family_refinement.Software_label _Conformer_family_refinement.Entry_ID _Conformer_family_refinement.Conformer_family_coord_set_ID 1 . . . c25191_2mty 1 stop_ loop_ _Conformer_family_software.Software_ID _Conformer_family_software.Software_label _Conformer_family_software.Method_ID _Conformer_family_software.Method_label _Conformer_family_software.Entry_ID _Conformer_family_software.Conformer_family_coord_set_ID . . . . c25191_2mty 1 stop_ loop_ _Atom_site.Assembly_ID _Atom_site.Model_ID _Atom_site.Model_site_ID _Atom_site.ID _Atom_site.Assembly_atom_ID _Atom_site.Label_entity_assembly_ID _Atom_site.Label_entity_ID _Atom_site.Label_comp_index_ID _Atom_site.Label_comp_ID _Atom_site.Label_atom_ID _Atom_site.Type_symbol _Atom_site.Cartn_x _Atom_site.Cartn_y _Atom_site.Cartn_z _Atom_site.Cartn_x_esd _Atom_site.Cartn_y_esd _Atom_site.Cartn_z_esd _Atom_site.Occupancy _Atom_site.Occupancy_esd _Atom_site.Uncertainty _Atom_site.Ordered_flag _Atom_site.Footnote_ID _Atom_site.PDBX_label_asym_ID _Atom_site.PDBX_label_seq_ID _Atom_site.PDBX_label_comp_ID _Atom_site.PDBX_label_atom_ID _Atom_site.PDBX_formal_charge _Atom_site.PDBX_label_entity_ID _Atom_site.PDB_record_ID _Atom_site.PDB_model_num _Atom_site.PDB_strand_ID _Atom_site.PDB_ins_code _Atom_site.PDB_residue_no _Atom_site.PDB_residue_name _Atom_site.PDB_atom_name _Atom_site.Auth_entity_assembly_ID _Atom_site.Auth_asym_ID _Atom_site.Auth_chain_ID _Atom_site.Auth_seq_ID _Atom_site.Auth_comp_ID _Atom_site.Auth_atom_ID _Atom_site.Auth_alt_ID _Atom_site.Auth_atom_name _Atom_site.Details _Atom_site.Entry_ID _Atom_site.Conformer_family_coord_set_ID . 1 . 1 . 1 1 1 VAL C C -9.325 2.246 -7.380 . . . 1.0 . . . . . . . . . . . . A . 1 VAL C . . . . . . . . . c25191_2mty 1 . 1 . 2 . 1 1 1 VAL CA C -8.764 2.507 -8.808 . . . 1.0 . . . . . . . . . . . . A . 1 VAL CA . . . . . . . . . c25191_2mty 1 . 1 . 3 . 1 1 1 VAL CB C -7.340 3.156 -8.798 . . . 1.0 . . . . . . . . . . . . A . 1 VAL CB . . . . . . . . . c25191_2mty 1 . 1 . 4 . 1 1 1 VAL CG1 C -6.651 3.102 -10.181 . . . 1.0 . . . . . . . . . . . . A . 1 VAL CG1 . . . . . . . . . c25191_2mty 1 . 1 . 5 . 1 1 1 VAL CG2 C -7.284 4.594 -8.243 . . . 1.0 . . . . . . . . . . . . A . 1 VAL CG2 . . . . . . . . . c25191_2mty 1 . 1 . 6 . 1 1 1 VAL H1 H -9.442 3.337 -10.585 . . . 1.0 . . . . . . . . . . . . A . 1 VAL H1 . . . . . . . . . c25191_2mty 1 . 1 . 7 . 1 1 1 VAL H2 H -10.642 2.717 -9.664 . . . 1.0 . . . . . . . . . . . . A . 1 VAL H2 . . . . . . . . . c25191_2mty 1 . 1 . 8 . 1 1 1 VAL HA H -8.639 1.535 -9.311 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HA . . . . . . . . . c25191_2mty 1 . 1 . 9 . 1 1 1 VAL HB H -6.711 2.538 -8.128 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HB . . . . . . . . . c25191_2mty 1 . 1 . 10 . 1 1 1 VAL HG11 H -7.180 3.714 -10.935 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG11 . . . . . . . . . c25191_2mty 1 . 1 . 11 . 1 1 1 VAL HG12 H -6.606 2.068 -10.572 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG12 . . . . . . . . . c25191_2mty 1 . 1 . 12 . 1 1 1 VAL HG13 H -5.608 3.468 -10.134 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG13 . . . . . . . . . c25191_2mty 1 . 1 . 13 . 1 1 1 VAL HG21 H -7.870 5.294 -8.867 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG21 . . . . . . . . . c25191_2mty 1 . 1 . 14 . 1 1 1 VAL HG22 H -6.246 4.968 -8.196 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG22 . . . . . . . . . c25191_2mty 1 . 1 . 15 . 1 1 1 VAL HG23 H -7.692 4.642 -7.218 . . . 1.0 . . . . . . . . . . . . A . 1 VAL HG23 . . . . . . . . . c25191_2mty 1 . 1 . 16 . 1 1 1 VAL N N -9.767 3.249 -9.616 . . . 1.0 . . . . . . . . . . . . A . 1 VAL N . . . . . . . . . c25191_2mty 1 . 1 . 17 . 1 1 1 VAL O O -9.836 3.156 -6.716 . . . 1.0 . . . . . . . . . . . . A . 1 VAL O . . . . . . . . . c25191_2mty 1 . 1 . 18 . 1 1 2 ILE C C -9.005 1.099 -4.373 . . . 1.0 . . . . . . . . . . . . A . 2 ILE C . . . . . . . . . c25191_2mty 1 . 1 . 19 . 1 1 2 ILE CA C -9.753 0.537 -5.607 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CA . . . . . . . . . c25191_2mty 1 . 1 . 20 . 1 1 2 ILE CB C -9.948 -1.000 -5.684 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CB . . . . . . . . . c25191_2mty 1 . 1 . 21 . 1 1 2 ILE CD1 C -11.224 -2.670 -7.138 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CD1 . . . . . . . . . c25191_2mty 1 . 1 . 22 . 1 1 2 ILE CG1 C -10.904 -1.260 -6.877 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG1 . . . . . . . . . c25191_2mty 1 . 1 . 23 . 1 1 2 ILE CG2 C -10.440 -1.630 -4.347 . . . 1.0 . . . . . . . . . . . . A . 2 ILE CG2 . . . . . . . . . c25191_2mty 1 . 1 . 24 . 1 1 2 ILE H H -9.134 0.205 -7.548 . . . 1.0 . . . . . . . . . . . . A . 2 ILE H . . . . . . . . . c25191_2mty 1 . 1 . 25 . 1 1 2 ILE HA H -10.815 0.756 -5.549 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HA . . . . . . . . . c25191_2mty 1 . 1 . 26 . 1 1 2 ILE HB H -9.020 -1.485 -5.962 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HB . . . . . . . . . c25191_2mty 1 . 1 . 27 . 1 1 2 ILE HD11 H -11.804 -2.660 -8.070 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD11 . . . . . . . . . c25191_2mty 1 . 1 . 28 . 1 1 2 ILE HD12 H -10.250 -3.175 -7.239 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD12 . . . . . . . . . c25191_2mty 1 . 1 . 29 . 1 1 2 ILE HD13 H -11.808 -3.013 -6.273 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HD13 . . . . . . . . . c25191_2mty 1 . 1 . 30 . 1 1 2 ILE HG12 H -11.813 -0.680 -6.729 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG12 . . . . . . . . . c25191_2mty 1 . 1 . 31 . 1 1 2 ILE HG13 H -10.479 -0.893 -7.832 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG13 . . . . . . . . . c25191_2mty 1 . 1 . 32 . 1 1 2 ILE HG21 H -11.426 -1.234 -4.039 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG21 . . . . . . . . . c25191_2mty 1 . 1 . 33 . 1 1 2 ILE HG22 H -9.738 -1.437 -3.517 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG22 . . . . . . . . . c25191_2mty 1 . 1 . 34 . 1 1 2 ILE HG23 H -10.528 -2.730 -4.411 . . . 1.0 . . . . . . . . . . . . A . 2 ILE HG23 . . . . . . . . . c25191_2mty 1 . 1 . 35 . 1 1 2 ILE N N -9.177 1.000 -6.894 . . . 1.0 . . . . . . . . . . . . A . 2 ILE N . . . . . . . . . c25191_2mty 1 . 1 . 36 . 1 1 2 ILE O O -9.641 1.646 -3.468 . . . 1.0 . . . . . . . . . . . . A . 2 ILE O . . . . . . . . . c25191_2mty 1 . 1 . 37 . 1 1 3 LYS C C -7.097 0.777 -1.860 . . . 1.0 . . . . . . . . . . . . A . 3 LYS C . . . . . . . . . c25191_2mty 1 . 1 . 38 . 1 1 3 LYS CA C -6.780 1.431 -3.253 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CA . . . . . . . . . c25191_2mty 1 . 1 . 39 . 1 1 3 LYS CB C -6.590 2.960 -3.238 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CB . . . . . . . . . c25191_2mty 1 . 1 . 40 . 1 1 3 LYS CD C -5.120 4.825 -4.245 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CD . . . . . . . . . c25191_2mty 1 . 1 . 41 . 1 1 3 LYS CE C -6.108 5.996 -4.401 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CE . . . . . . . . . c25191_2mty 1 . 1 . 42 . 1 1 3 LYS CG C -5.729 3.437 -4.413 . . . 1.0 . . . . . . . . . . . . A . 3 LYS CG . . . . . . . . . c25191_2mty 1 . 1 . 43 . 1 1 3 LYS H H -7.317 0.509 -5.221 . . . 1.0 . . . . . . . . . . . . A . 3 LYS H . . . . . . . . . c25191_2mty 1 . 1 . 44 . 1 1 3 LYS HA H -5.771 1.115 -3.513 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HA . . . . . . . . . c25191_2mty 1 . 1 . 45 . 1 1 3 LYS HB2 H -7.551 3.453 -3.311 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB2 . . . . . . . . . c25191_2mty 1 . 1 . 46 . 1 1 3 LYS HB3 H -6.121 3.280 -2.285 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HB3 . . . . . . . . . c25191_2mty 1 . 1 . 47 . 1 1 3 LYS HD2 H -4.623 4.841 -3.255 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD2 . . . . . . . . . c25191_2mty 1 . 1 . 48 . 1 1 3 LYS HD3 H -4.313 4.892 -4.994 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HD3 . . . . . . . . . c25191_2mty 1 . 1 . 49 . 1 1 3 LYS HE2 H -6.596 5.960 -5.392 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE2 . . . . . . . . . c25191_2mty 1 . 1 . 50 . 1 1 3 LYS HE3 H -6.918 5.923 -3.652 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HE3 . . . . . . . . . c25191_2mty 1 . 1 . 51 . 1 1 3 LYS HG2 H -4.883 2.747 -4.489 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG2 . . . . . . . . . c25191_2mty 1 . 1 . 52 . 1 1 3 LYS HG3 H -6.291 3.322 -5.357 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HG3 . . . . . . . . . c25191_2mty 1 . 1 . 53 . 1 1 3 LYS HZ1 H -5.026 7.369 -3.305 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ1 . . . . . . . . . c25191_2mty 1 . 1 . 54 . 1 1 3 LYS HZ2 H -6.106 8.058 -4.321 . . . 1.0 . . . . . . . . . . . . A . 3 LYS HZ2 . . . . . . . . . c25191_2mty 1 . 1 . 55 . 1 1 3 LYS N N -7.665 0.961 -4.367 . . . 1.0 . . . . . . . . . . . . A . 3 LYS N . . . . . . . . . c25191_2mty 1 . 1 . 56 . 1 1 3 LYS NZ N -5.426 7.292 -4.246 . . . 1.0 . . . . . . . . . . . . A . 3 LYS NZ . . . . . . . . . c25191_2mty 1 . 1 . 57 . 1 1 3 LYS O O -6.888 1.372 -0.799 . . . 1.0 . . . . . . . . . . . . A . 3 LYS O . . . . . . . . . c25191_2mty 1 . 1 . 58 . 1 1 4 HIS C C -8.928 -0.730 0.298 . . . 1.0 . . . . . . . . . . . . A . 4 HIS C . . . . . . . . . c25191_2mty 1 . 1 . 59 . 1 1 4 HIS CA C -7.992 -1.326 -0.773 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CA . . . . . . . . . c25191_2mty 1 . 1 . 60 . 1 1 4 HIS CB C -6.723 -2.120 -0.396 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CB . . . . . . . . . c25191_2mty 1 . 1 . 61 . 1 1 4 HIS CD2 C -7.354 -4.272 -1.543 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CD2 . . . . . . . . . c25191_2mty 1 . 1 . 62 . 1 1 4 HIS CE1 C -6.724 -3.562 -3.407 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CE1 . . . . . . . . . c25191_2mty 1 . 1 . 63 . 1 1 4 HIS CG C -6.369 -3.277 -1.368 . . . 1.0 . . . . . . . . . . . . A . 4 HIS CG . . . . . . . . . c25191_2mty 1 . 1 . 64 . 1 1 4 HIS H H -7.569 -0.989 -2.768 . . . 1.0 . . . . . . . . . . . . A . 4 HIS H . . . . . . . . . c25191_2mty 1 . 1 . 65 . 1 1 4 HIS HA H -8.634 -2.092 -1.203 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HA . . . . . . . . . c25191_2mty 1 . 1 . 66 . 1 1 4 HIS HB2 H -5.894 -1.412 -0.339 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB2 . . . . . . . . . c25191_2mty 1 . 1 . 67 . 1 1 4 HIS HB3 H -6.886 -2.525 0.592 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HB3 . . . . . . . . . c25191_2mty 1 . 1 . 68 . 1 1 4 HIS HD2 H -8.150 -4.351 -0.822 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HD2 . . . . . . . . . c25191_2mty 1 . 1 . 69 . 1 1 4 HIS HE1 H -7.002 -2.998 -4.283 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE1 . . . . . . . . . c25191_2mty 1 . 1 . 70 . 1 1 4 HIS HE2 H -8.661 -4.330 -3.116 . . . 1.0 . . . . . . . . . . . . A . 4 HIS HE2 . . . . . . . . . c25191_2mty 1 . 1 . 71 . 1 1 4 HIS N N -7.604 -0.475 -1.900 . . . 1.0 . . . . . . . . . . . . A . 4 HIS N . . . . . . . . . c25191_2mty 1 . 1 . 72 . 1 1 4 HIS ND1 N -5.808 -2.950 -2.597 . . . 1.0 . . . . . . . . . . . . A . 4 HIS ND1 . . . . . . . . . c25191_2mty 1 . 1 . 73 . 1 1 4 HIS NE2 N -7.666 -4.404 -2.876 . . . 1.0 . . . . . . . . . . . . A . 4 HIS NE2 . . . . . . . . . c25191_2mty 1 . 1 . 74 . 1 1 4 HIS O O -8.819 -1.080 1.481 . . . 1.0 . . . . . . . . . . . . A . 4 HIS O . . . . . . . . . c25191_2mty 1 . 1 . 75 . 1 1 5 ASN C C -10.438 1.430 1.933 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c25191_2mty 1 . 1 . 76 . 1 1 5 ASN CA C -10.924 0.851 0.567 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c25191_2mty 1 . 1 . 77 . 1 1 5 ASN CB C -12.216 -0.017 0.685 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c25191_2mty 1 . 1 . 78 . 1 1 5 ASN CG C -12.914 -0.386 -0.643 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c25191_2mty 1 . 1 . 79 . 1 1 5 ASN H H -9.633 0.403 -1.180 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c25191_2mty 1 . 1 . 80 . 1 1 5 ASN HA H -11.193 1.736 -0.040 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c25191_2mty 1 . 1 . 81 . 1 1 5 ASN HB2 H -11.985 -0.950 1.235 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c25191_2mty 1 . 1 . 82 . 1 1 5 ASN HB3 H -12.952 0.500 1.333 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c25191_2mty 1 . 1 . 83 . 1 1 5 ASN HD21 H -13.935 1.340 -0.626 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c25191_2mty 1 . 1 . 84 . 1 1 5 ASN HD22 H -14.230 0.204 -2.037 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c25191_2mty 1 . 1 . 85 . 1 1 5 ASN N N -9.874 0.116 -0.213 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c25191_2mty 1 . 1 . 86 . 1 1 5 ASN ND2 N -13.782 0.474 -1.154 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c25191_2mty 1 . 1 . 87 . 1 1 5 ASN O O -11.150 1.391 2.942 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c25191_2mty 1 . 1 . 88 . 1 1 5 ASN OD1 O -12.673 -1.449 -1.216 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c25191_2mty 1 . 1 . 89 . 1 1 6 ARG C C -8.432 1.587 4.314 . . . 1.0 . . . . . . . . . . . . A . 6 ARG C . . . . . . . . . c25191_2mty 1 . 1 . 90 . 1 1 6 ARG CA C -8.548 2.599 3.119 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CA . . . . . . . . . c25191_2mty 1 . 1 . 91 . 1 1 6 ARG CB C -9.167 3.975 3.524 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CB . . . . . . . . . c25191_2mty 1 . 1 . 92 . 1 1 6 ARG CD C -10.276 5.347 1.606 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CD . . . . . . . . . c25191_2mty 1 . 1 . 93 . 1 1 6 ARG CG C -8.988 5.108 2.451 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CG . . . . . . . . . c25191_2mty 1 . 1 . 94 . 1 1 6 ARG CZ C -10.343 7.726 0.788 . . . 1.0 . . . . . . . . . . . . A . 6 ARG CZ . . . . . . . . . c25191_2mty 1 . 1 . 95 . 1 1 6 ARG H H -8.725 1.904 1.025 . . . 1.0 . . . . . . . . . . . . A . 6 ARG H . . . . . . . . . c25191_2mty 1 . 1 . 96 . 1 1 6 ARG HA H -7.497 2.772 2.806 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HA . . . . . . . . . c25191_2mty 1 . 1 . 97 . 1 1 6 ARG HB2 H -10.233 3.833 3.826 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB2 . . . . . . . . . c25191_2mty 1 . 1 . 98 . 1 1 6 ARG HB3 H -8.721 4.291 4.490 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HB3 . . . . . . . . . c25191_2mty 1 . 1 . 99 . 1 1 6 ARG HD2 H -10.575 4.424 1.067 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD2 . . . . . . . . . c25191_2mty 1 . 1 . 100 . 1 1 6 ARG HD3 H -11.161 5.557 2.244 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HD3 . . . . . . . . . c25191_2mty 1 . 1 . 101 . 1 1 6 ARG HG2 H -8.660 6.058 2.927 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG2 . . . . . . . . . c25191_2mty 1 . 1 . 102 . 1 1 6 ARG HG3 H -8.115 4.907 1.780 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HG3 . . . . . . . . . c25191_2mty 1 . 1 . 103 . 1 1 6 ARG HH11 H -10.957 7.572 2.698 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH11 . . . . . . . . . c25191_2mty 1 . 1 . 104 . 1 1 6 ARG HH12 H -10.952 9.249 1.954 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH12 . . . . . . . . . c25191_2mty 1 . 1 . 105 . 1 1 6 ARG HH21 H -9.776 8.141 -1.087 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH21 . . . . . . . . . c25191_2mty 1 . 1 . 106 . 1 1 6 ARG HH22 H -10.328 9.547 -0.045 . . . 1.0 . . . . . . . . . . . . A . 6 ARG HH22 . . . . . . . . . c25191_2mty 1 . 1 . 107 . 1 1 6 ARG N N -9.213 2.006 1.924 . . . 1.0 . . . . . . . . . . . . A . 6 ARG N . . . . . . . . . c25191_2mty 1 . 1 . 108 . 1 1 6 ARG NE N -10.087 6.416 0.593 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NE . . . . . . . . . c25191_2mty 1 . 1 . 109 . 1 1 6 ARG NH1 N -10.797 8.235 1.932 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH1 . . . . . . . . . c25191_2mty 1 . 1 . 110 . 1 1 6 ARG NH2 N -10.127 8.555 -0.217 . . . 1.0 . . . . . . . . . . . . A . 6 ARG NH2 . . . . . . . . . c25191_2mty 1 . 1 . 111 . 1 1 6 ARG O O -8.583 1.988 5.472 . . . 1.0 . . . . . . . . . . . . A . 6 ARG O . . . . . . . . . c25191_2mty 1 . 1 . 112 . 1 1 7 PHE C C -6.609 -1.438 5.004 . . . 1.0 . . . . . . . . . . . . A . 7 PHE C . . . . . . . . . c25191_2mty 1 . 1 . 113 . 1 1 7 PHE CA C -8.008 -0.777 5.030 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CA . . . . . . . . . c25191_2mty 1 . 1 . 114 . 1 1 7 PHE CB C -9.201 -1.759 4.936 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CB . . . . . . . . . c25191_2mty 1 . 1 . 115 . 1 1 7 PHE CD1 C -8.859 -3.727 6.542 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD1 . . . . . . . . . c25191_2mty 1 . 1 . 116 . 1 1 7 PHE CD2 C -10.465 -2.022 7.131 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CD2 . . . . . . . . . c25191_2mty 1 . 1 . 117 . 1 1 7 PHE CE1 C -9.150 -4.407 7.723 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE1 . . . . . . . . . c25191_2mty 1 . 1 . 118 . 1 1 7 PHE CE2 C -10.755 -2.704 8.311 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CE2 . . . . . . . . . c25191_2mty 1 . 1 . 119 . 1 1 7 PHE CG C -9.516 -2.529 6.235 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CG . . . . . . . . . c25191_2mty 1 . 1 . 120 . 1 1 7 PHE CZ C -10.098 -3.896 8.605 . . . 1.0 . . . . . . . . . . . . A . 7 PHE CZ . . . . . . . . . c25191_2mty 1 . 1 . 121 . 1 1 7 PHE H H -8.178 0.026 3.026 . . . 1.0 . . . . . . . . . . . . A . 7 PHE H . . . . . . . . . c25191_2mty 1 . 1 . 122 . 1 1 7 PHE HA H -8.105 -0.320 5.995 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HA . . . . . . . . . c25191_2mty 1 . 1 . 123 . 1 1 7 PHE HB2 H -10.122 -1.220 4.621 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB2 . . . . . . . . . c25191_2mty 1 . 1 . 124 . 1 1 7 PHE HB3 H -8.984 -2.454 4.116 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HB3 . . . . . . . . . c25191_2mty 1 . 1 . 125 . 1 1 7 PHE HD1 H -8.113 -4.132 5.878 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD1 . . . . . . . . . c25191_2mty 1 . 1 . 126 . 1 1 7 PHE HD2 H -10.982 -1.096 6.919 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HD2 . . . . . . . . . c25191_2mty 1 . 1 . 127 . 1 1 7 PHE HE1 H -8.638 -5.329 7.955 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE1 . . . . . . . . . c25191_2mty 1 . 1 . 128 . 1 1 7 PHE HE2 H -11.489 -2.308 8.998 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HE2 . . . . . . . . . c25191_2mty 1 . 1 . 129 . 1 1 7 PHE HZ H -10.323 -4.424 9.521 . . . 1.0 . . . . . . . . . . . . A . 7 PHE HZ . . . . . . . . . c25191_2mty 1 . 1 . 130 . 1 1 7 PHE N N -8.142 0.292 4.020 . . . 1.0 . . . . . . . . . . . . A . 7 PHE N . . . . . . . . . c25191_2mty 1 . 1 . 131 . 1 1 7 PHE O O -5.940 -1.466 6.042 . . . 1.0 . . . . . . . . . . . . A . 7 PHE O . . . . . . . . . c25191_2mty 1 . 1 . 132 . 1 1 8 LEU C C -3.595 -1.637 3.770 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c25191_2mty 1 . 1 . 133 . 1 1 8 LEU CA C -4.833 -2.593 3.702 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c25191_2mty 1 . 1 . 134 . 1 1 8 LEU CB C -4.795 -3.417 2.400 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c25191_2mty 1 . 1 . 135 . 1 1 8 LEU CD1 C -5.027 -5.843 3.192 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c25191_2mty 1 . 1 . 136 . 1 1 8 LEU CD2 C -7.183 -4.644 2.768 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c25191_2mty 1 . 1 . 137 . 1 1 8 LEU CG C -5.692 -4.725 2.370 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c25191_2mty 1 . 1 . 138 . 1 1 8 LEU H H -6.835 -1.997 3.064 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c25191_2mty 1 . 1 . 139 . 1 1 8 LEU HA H -4.750 -3.358 4.480 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c25191_2mty 1 . 1 . 140 . 1 1 8 LEU HB2 H -4.968 -2.711 1.567 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c25191_2mty 1 . 1 . 141 . 1 1 8 LEU HB3 H -3.727 -3.683 2.221 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c25191_2mty 1 . 1 . 142 . 1 1 8 LEU HD11 H -5.015 -5.603 4.272 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c25191_2mty 1 . 1 . 143 . 1 1 8 LEU HD12 H -3.981 -6.006 2.876 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c25191_2mty 1 . 1 . 144 . 1 1 8 LEU HD13 H -5.560 -6.803 3.075 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c25191_2mty 1 . 1 . 145 . 1 1 8 LEU HD21 H -7.724 -3.857 2.215 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c25191_2mty 1 . 1 . 146 . 1 1 8 LEU HD22 H -7.319 -4.451 3.845 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c25191_2mty 1 . 1 . 147 . 1 1 8 LEU HD23 H -7.710 -5.594 2.553 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c25191_2mty 1 . 1 . 148 . 1 1 8 LEU HG H -5.774 -5.083 1.342 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c25191_2mty 1 . 1 . 149 . 1 1 8 LEU N N -6.163 -1.951 3.841 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c25191_2mty 1 . 1 . 150 . 1 1 8 LEU O O -2.512 -2.089 4.151 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c25191_2mty 1 . 1 . 151 . 1 1 9 SER C C -1.630 0.461 2.283 . . . 1.0 . . . . . . . . . . . . A . 9 SER C . . . . . . . . . c25191_2mty 1 . 1 . 152 . 1 1 9 SER CA C -2.692 0.694 3.385 . . . 1.0 . . . . . . . . . . . . A . 9 SER CA . . . . . . . . . c25191_2mty 1 . 1 . 153 . 1 1 9 SER CB C -2.197 0.957 4.811 . . . 1.0 . . . . . . . . . . . . A . 9 SER CB . . . . . . . . . c25191_2mty 1 . 1 . 154 . 1 1 9 SER H H -4.715 -0.077 3.191 . . . 1.0 . . . . . . . . . . . . A . 9 SER H . . . . . . . . . c25191_2mty 1 . 1 . 155 . 1 1 9 SER HA H -3.174 1.628 3.137 . . . 1.0 . . . . . . . . . . . . A . 9 SER HA . . . . . . . . . c25191_2mty 1 . 1 . 156 . 1 1 9 SER HB2 H -3.087 0.977 5.469 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB2 . . . . . . . . . c25191_2mty 1 . 1 . 157 . 1 1 9 SER HB3 H -1.557 0.130 5.132 . . . 1.0 . . . . . . . . . . . . A . 9 SER HB3 . . . . . . . . . c25191_2mty 1 . 1 . 158 . 1 1 9 SER HG H -1.226 2.270 5.827 . . . 1.0 . . . . . . . . . . . . A . 9 SER HG . . . . . . . . . c25191_2mty 1 . 1 . 159 . 1 1 9 SER N N -3.754 -0.347 3.389 . . . 1.0 . . . . . . . . . . . . A . 9 SER N . . . . . . . . . c25191_2mty 1 . 1 . 160 . 1 1 9 SER O O -0.431 0.550 2.550 . . . 1.0 . . . . . . . . . . . . A . 9 SER O . . . . . . . . . c25191_2mty 1 . 1 . 161 . 1 1 9 SER OG O -1.483 2.185 4.906 . . . 1.0 . . . . . . . . . . . . A . 9 SER OG . . . . . . . . . c25191_2mty 1 . 1 . 162 . 1 1 10 GLU C C -0.206 -1.188 0.092 . . . 1.0 . . . . . . . . . . . . A . 10 GLU C . . . . . . . . . c25191_2mty 1 . 1 . 163 . 1 1 10 GLU CA C -1.241 -0.055 -0.160 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CA . . . . . . . . . c25191_2mty 1 . 1 . 164 . 1 1 10 GLU CB C -0.714 1.306 -0.704 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CB . . . . . . . . . c25191_2mty 1 . 1 . 165 . 1 1 10 GLU CD C -2.664 1.932 -2.302 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CD . . . . . . . . . c25191_2mty 1 . 1 . 166 . 1 1 10 GLU CG C -1.749 2.369 -1.152 . . . 1.0 . . . . . . . . . . . . A . 10 GLU CG . . . . . . . . . c25191_2mty 1 . 1 . 167 . 1 1 10 GLU H H -3.062 0.338 0.802 . . . 1.0 . . . . . . . . . . . . A . 10 GLU H . . . . . . . . . c25191_2mty 1 . 1 . 168 . 1 1 10 GLU HA H -1.950 -0.512 -0.865 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HA . . . . . . . . . c25191_2mty 1 . 1 . 169 . 1 1 10 GLU HB2 H -0.043 1.763 0.048 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB2 . . . . . . . . . c25191_2mty 1 . 1 . 170 . 1 1 10 GLU HB3 H -0.065 1.111 -1.553 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HB3 . . . . . . . . . c25191_2mty 1 . 1 . 171 . 1 1 10 GLU HE2 H -2.724 1.977 -4.247 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HE2 . . . . . . . . . c25191_2mty 1 . 1 . 172 . 1 1 10 GLU HG2 H -2.373 2.674 -0.292 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG2 . . . . . . . . . c25191_2mty 1 . 1 . 173 . 1 1 10 GLU HG3 H -1.212 3.291 -1.447 . . . 1.0 . . . . . . . . . . . . A . 10 GLU HG3 . . . . . . . . . c25191_2mty 1 . 1 . 174 . 1 1 10 GLU N N -2.081 0.209 1.024 . . . 1.0 . . . . . . . . . . . . A . 10 GLU N . . . . . . . . . c25191_2mty 1 . 1 . 175 . 1 1 10 GLU O O 0.988 -1.059 -0.193 . . . 1.0 . . . . . . . . . . . . A . 10 GLU O . . . . . . . . . c25191_2mty 1 . 1 . 176 . 1 1 10 GLU OE1 O -3.738 1.357 -2.128 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE1 . . . . . . . . . c25191_2mty 1 . 1 . 177 . 1 1 10 GLU OE2 O -2.148 2.253 -3.531 . . . 1.0 . . . . . . . . . . . . A . 10 GLU OE2 . . . . . . . . . c25191_2mty 1 . 1 . 178 . 1 1 11 TYR C C 1.017 -3.170 2.115 . . . 1.0 . . . . . . . . . . . . A . 11 TYR C . . . . . . . . . c25191_2mty 1 . 1 . 179 . 1 1 11 TYR CA C 0.014 -3.551 0.973 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CA . . . . . . . . . c25191_2mty 1 . 1 . 180 . 1 1 11 TYR CB C 0.608 -4.277 -0.277 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CB . . . . . . . . . c25191_2mty 1 . 1 . 181 . 1 1 11 TYR CD1 C 0.229 -6.770 0.108 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD1 . . . . . . . . . c25191_2mty 1 . 1 . 182 . 1 1 11 TYR CD2 C 2.503 -5.957 0.067 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CD2 . . . . . . . . . c25191_2mty 1 . 1 . 183 . 1 1 11 TYR CE1 C 0.697 -8.062 0.341 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE1 . . . . . . . . . c25191_2mty 1 . 1 . 184 . 1 1 11 TYR CE2 C 2.969 -7.248 0.305 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CE2 . . . . . . . . . c25191_2mty 1 . 1 . 185 . 1 1 11 TYR CG C 1.128 -5.706 -0.026 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CG . . . . . . . . . c25191_2mty 1 . 1 . 186 . 1 1 11 TYR CZ C 2.066 -8.300 0.441 . . . 1.0 . . . . . . . . . . . . A . 11 TYR CZ . . . . . . . . . c25191_2mty 1 . 1 . 187 . 1 1 11 TYR H H -1.703 -2.144 0.958 . . . 1.0 . . . . . . . . . . . . A . 11 TYR H . . . . . . . . . c25191_2mty 1 . 1 . 188 . 1 1 11 TYR HA H -0.707 -4.235 1.432 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HA . . . . . . . . . c25191_2mty 1 . 1 . 189 . 1 1 11 TYR HB2 H -0.165 -4.329 -1.069 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB2 . . . . . . . . . c25191_2mty 1 . 1 . 190 . 1 1 11 TYR HB3 H 1.405 -3.652 -0.724 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HB3 . . . . . . . . . c25191_2mty 1 . 1 . 191 . 1 1 11 TYR HD1 H -0.836 -6.601 0.037 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD1 . . . . . . . . . c25191_2mty 1 . 1 . 192 . 1 1 11 TYR HD2 H 3.217 -5.153 -0.034 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HD2 . . . . . . . . . c25191_2mty 1 . 1 . 193 . 1 1 11 TYR HE1 H -0.006 -8.876 0.446 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE1 . . . . . . . . . c25191_2mty 1 . 1 . 194 . 1 1 11 TYR HE2 H 4.031 -7.429 0.382 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HE2 . . . . . . . . . c25191_2mty 1 . 1 . 195 . 1 1 11 TYR HH H 1.776 -10.168 0.739 . . . 1.0 . . . . . . . . . . . . A . 11 TYR HH . . . . . . . . . c25191_2mty 1 . 1 . 196 . 1 1 11 TYR N N -0.751 -2.323 0.605 . . . 1.0 . . . . . . . . . . . . A . 11 TYR N . . . . . . . . . c25191_2mty 1 . 1 . 197 . 1 1 11 TYR O O 2.170 -3.605 2.092 . . . 1.0 . . . . . . . . . . . . A . 11 TYR O . . . . . . . . . c25191_2mty 1 . 1 . 198 . 1 1 11 TYR OH O 2.526 -9.572 0.673 . . . 1.0 . . . . . . . . . . . . A . 11 TYR OH . . . . . . . . . c25191_2mty 1 . 1 . 199 . 1 1 12 GLN C C 2.652 -1.128 3.710 . . . 1.0 . . . . . . . . . . . . A . 12 GLN C . . . . . . . . . c25191_2mty 1 . 1 . 200 . 1 1 12 GLN CA C 1.415 -1.912 4.277 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CA . . . . . . . . . c25191_2mty 1 . 1 . 201 . 1 1 12 GLN CB C 1.653 -3.085 5.246 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CB . . . . . . . . . c25191_2mty 1 . 1 . 202 . 1 1 12 GLN CD C 3.245 -2.158 7.104 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CD . . . . . . . . . c25191_2mty 1 . 1 . 203 . 1 1 12 GLN CG C 1.875 -2.750 6.736 . . . 1.0 . . . . . . . . . . . . A . 12 GLN CG . . . . . . . . . c25191_2mty 1 . 1 . 204 . 1 1 12 GLN H H -0.421 -2.091 3.103 . . . 1.0 . . . . . . . . . . . . A . 12 GLN H . . . . . . . . . c25191_2mty 1 . 1 . 205 . 1 1 12 GLN HA H 0.828 -1.201 4.850 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HA . . . . . . . . . c25191_2mty 1 . 1 . 206 . 1 1 12 GLN HB2 H 0.744 -3.714 5.200 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB2 . . . . . . . . . c25191_2mty 1 . 1 . 207 . 1 1 12 GLN HB3 H 2.477 -3.692 4.855 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HB3 . . . . . . . . . c25191_2mty 1 . 1 . 208 . 1 1 12 GLN HE21 H 4.096 -3.974 7.009 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE21 . . . . . . . . . c25191_2mty 1 . 1 . 209 . 1 1 12 GLN HE22 H 5.182 -2.561 7.445 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HE22 . . . . . . . . . c25191_2mty 1 . 1 . 210 . 1 1 12 GLN HG2 H 1.077 -2.061 7.071 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG2 . . . . . . . . . c25191_2mty 1 . 1 . 211 . 1 1 12 GLN HG3 H 1.707 -3.671 7.326 . . . 1.0 . . . . . . . . . . . . A . 12 GLN HG3 . . . . . . . . . c25191_2mty 1 . 1 . 212 . 1 1 12 GLN N N 0.566 -2.379 3.141 . . . 1.0 . . . . . . . . . . . . A . 12 GLN N . . . . . . . . . c25191_2mty 1 . 1 . 213 . 1 1 12 GLN NE2 N 4.280 -2.982 7.195 . . . 1.0 . . . . . . . . . . . . A . 12 GLN NE2 . . . . . . . . . c25191_2mty 1 . 1 . 214 . 1 1 12 GLN O O 3.777 -1.311 4.179 . . . 1.0 . . . . . . . . . . . . A . 12 GLN O . . . . . . . . . c25191_2mty 1 . 1 . 215 . 1 1 12 GLN OE1 O 3.380 -0.954 7.315 . . . 1.0 . . . . . . . . . . . . A . 12 GLN OE1 . . . . . . . . . c25191_2mty 1 . 1 . 216 . 1 1 13 SER C C 4.554 -0.384 1.386 . . . 1.0 . . . . . . . . . . . . A . 13 SER C . . . . . . . . . c25191_2mty 1 . 1 . 217 . 1 1 13 SER CA C 3.474 0.557 2.006 . . . 1.0 . . . . . . . . . . . . A . 13 SER CA . . . . . . . . . c25191_2mty 1 . 1 . 218 . 1 1 13 SER CB C 3.917 1.702 2.915 . . . 1.0 . . . . . . . . . . . . A . 13 SER CB . . . . . . . . . c25191_2mty 1 . 1 . 219 . 1 1 13 SER H H 1.443 -0.158 2.378 . . . 1.0 . . . . . . . . . . . . A . 13 SER H . . . . . . . . . c25191_2mty 1 . 1 . 220 . 1 1 13 SER HA H 3.010 1.065 1.172 . . . 1.0 . . . . . . . . . . . . A . 13 SER HA . . . . . . . . . c25191_2mty 1 . 1 . 221 . 1 1 13 SER HB2 H 3.005 2.178 3.326 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB2 . . . . . . . . . c25191_2mty 1 . 1 . 222 . 1 1 13 SER HB3 H 4.484 1.295 3.754 . . . 1.0 . . . . . . . . . . . . A . 13 SER HB3 . . . . . . . . . c25191_2mty 1 . 1 . 223 . 1 1 13 SER HG H 4.924 3.339 2.854 . . . 1.0 . . . . . . . . . . . . A . 13 SER HG . . . . . . . . . c25191_2mty 1 . 1 . 224 . 1 1 13 SER N N 2.423 -0.247 2.686 . . . 1.0 . . . . . . . . . . . . A . 13 SER N . . . . . . . . . c25191_2mty 1 . 1 . 225 . 1 1 13 SER O O 5.753 -0.138 1.547 . . . 1.0 . . . . . . . . . . . . A . 13 SER O . . . . . . . . . c25191_2mty 1 . 1 . 226 . 1 1 13 SER OG O 4.701 2.660 2.214 . . . 1.0 . . . . . . . . . . . . A . 13 SER OG . . . . . . . . . c25191_2mty 1 . 1 . 227 . 1 1 14 ASN C C 5.851 -3.194 1.128 . . . 1.0 . . . . . . . . . . . . A . 14 ASN C . . . . . . . . . c25191_2mty 1 . 1 . 228 . 1 1 14 ASN CA C 5.016 -2.461 0.016 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CA . . . . . . . . . c25191_2mty 1 . 1 . 229 . 1 1 14 ASN CB C 5.853 -1.890 -1.172 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CB . . . . . . . . . c25191_2mty 1 . 1 . 230 . 1 1 14 ASN CG C 5.005 -1.619 -2.427 . . . 1.0 . . . . . . . . . . . . A . 14 ASN CG . . . . . . . . . c25191_2mty 1 . 1 . 231 . 1 1 14 ASN H H 3.099 -1.665 0.738 . . . 1.0 . . . . . . . . . . . . A . 14 ASN H . . . . . . . . . c25191_2mty 1 . 1 . 232 . 1 1 14 ASN HA H 4.379 -3.244 -0.410 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HA . . . . . . . . . c25191_2mty 1 . 1 . 233 . 1 1 14 ASN HB2 H 6.379 -0.964 -0.876 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB2 . . . . . . . . . c25191_2mty 1 . 1 . 234 . 1 1 14 ASN HB3 H 6.665 -2.597 -1.428 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HB3 . . . . . . . . . c25191_2mty 1 . 1 . 235 . 1 1 14 ASN HD21 H 5.896 -3.109 -3.469 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD21 . . . . . . . . . c25191_2mty 1 . 1 . 236 . 1 1 14 ASN HD22 H 4.223 -2.565 -3.964 . . . 1.0 . . . . . . . . . . . . A . 14 ASN HD22 . . . . . . . . . c25191_2mty 1 . 1 . 237 . 1 1 14 ASN N N 4.107 -1.450 0.646 . . . 1.0 . . . . . . . . . . . . A . 14 ASN N . . . . . . . . . c25191_2mty 1 . 1 . 238 . 1 1 14 ASN ND2 N 5.095 -2.465 -3.441 . . . 1.0 . . . . . . . . . . . . A . 14 ASN ND2 . . . . . . . . . c25191_2mty 1 . 1 . 239 . 1 1 14 ASN O O 6.992 -3.594 0.878 . . . 1.0 . . . . . . . . . . . . A . 14 ASN O . . . . . . . . . c25191_2mty 1 . 1 . 240 . 1 1 14 ASN OD1 O 4.208 -0.682 -2.471 . . . 1.0 . . . . . . . . . . . . A . 14 ASN OD1 . . . . . . . . . c25191_2mty 1 . 1 . 241 . 1 1 15 PHE C C 7.285 -3.380 3.814 . . . 1.0 . . . . . . . . . . . . A . 15 PHE C . . . . . . . . . c25191_2mty 1 . 1 . 242 . 1 1 15 PHE CA C 5.909 -4.070 3.519 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CA . . . . . . . . . c25191_2mty 1 . 1 . 243 . 1 1 15 PHE CB C 5.856 -5.597 3.386 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CB . . . . . . . . . c25191_2mty 1 . 1 . 244 . 1 1 15 PHE CD1 C 5.171 -6.488 5.676 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD1 . . . . . . . . . c25191_2mty 1 . 1 . 245 . 1 1 15 PHE CD2 C 7.375 -7.034 4.850 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CD2 . . . . . . . . . c25191_2mty 1 . 1 . 246 . 1 1 15 PHE CE1 C 5.432 -7.204 6.842 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE1 . . . . . . . . . c25191_2mty 1 . 1 . 247 . 1 1 15 PHE CE2 C 7.633 -7.750 6.017 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CE2 . . . . . . . . . c25191_2mty 1 . 1 . 248 . 1 1 15 PHE CG C 6.143 -6.394 4.672 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CG . . . . . . . . . c25191_2mty 1 . 1 . 249 . 1 1 15 PHE CZ C 6.662 -7.835 7.011 . . . 1.0 . . . . . . . . . . . . A . 15 PHE CZ . . . . . . . . . c25191_2mty 1 . 1 . 250 . 1 1 15 PHE H H 4.281 -3.089 2.433 . . . 1.0 . . . . . . . . . . . . A . 15 PHE H . . . . . . . . . c25191_2mty 1 . 1 . 251 . 1 1 15 PHE HA H 5.265 -3.858 4.377 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HA . . . . . . . . . c25191_2mty 1 . 1 . 252 . 1 1 15 PHE HB2 H 4.843 -5.849 3.023 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB2 . . . . . . . . . c25191_2mty 1 . 1 . 253 . 1 1 15 PHE HB3 H 6.539 -5.876 2.580 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HB3 . . . . . . . . . c25191_2mty 1 . 1 . 254 . 1 1 15 PHE HD1 H 4.213 -6.002 5.559 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD1 . . . . . . . . . c25191_2mty 1 . 1 . 255 . 1 1 15 PHE HD2 H 8.140 -6.976 4.088 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HD2 . . . . . . . . . c25191_2mty 1 . 1 . 256 . 1 1 15 PHE HE1 H 4.680 -7.270 7.614 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE1 . . . . . . . . . c25191_2mty 1 . 1 . 257 . 1 1 15 PHE HE2 H 8.586 -8.240 6.150 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HE2 . . . . . . . . . c25191_2mty 1 . 1 . 258 . 1 1 15 PHE HZ H 6.863 -8.390 7.916 . . . 1.0 . . . . . . . . . . . . A . 15 PHE HZ . . . . . . . . . c25191_2mty 1 . 1 . 259 . 1 1 15 PHE N N 5.254 -3.420 2.345 . . . 1.0 . . . . . . . . . . . . A . 15 PHE N . . . . . . . . . c25191_2mty 1 . 1 . 260 . 1 1 15 PHE O O 8.329 -4.031 3.917 . . . 1.0 . . . . . . . . . . . . A . 15 PHE O . . . . . . . . . c25191_2mty 1 . 1 . 261 . 1 1 16 LEU C C 9.558 -1.321 3.105 . . . 1.0 . . . . . . . . . . . . A . 16 LEU C . . . . . . . . . c25191_2mty 1 . 1 . 262 . 1 1 16 LEU CA C 8.391 -1.136 4.137 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CA . . . . . . . . . c25191_2mty 1 . 1 . 263 . 1 1 16 LEU CB C 8.719 -1.139 5.644 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CB . . . . . . . . . c25191_2mty 1 . 1 . 264 . 1 1 16 LEU CD1 C 8.388 0.930 7.039 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD1 . . . . . . . . . c25191_2mty 1 . 1 . 265 . 1 1 16 LEU CD2 C 6.305 0.110 6.057 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CD2 . . . . . . . . . c25191_2mty 1 . 1 . 266 . 1 1 16 LEU CG C 7.696 -0.349 6.572 . . . 1.0 . . . . . . . . . . . . A . 16 LEU CG . . . . . . . . . c25191_2mty 1 . 1 . 267 . 1 1 16 LEU H H 6.309 -1.628 4.065 . . . 1.0 . . . . . . . . . . . . A . 16 LEU H . . . . . . . . . c25191_2mty 1 . 1 . 268 . 1 1 16 LEU HA H 8.029 -0.111 3.958 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HA . . . . . . . . . c25191_2mty 1 . 1 . 269 . 1 1 16 LEU HB2 H 8.876 -2.184 5.976 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB2 . . . . . . . . . c25191_2mty 1 . 1 . 270 . 1 1 16 LEU HB3 H 9.755 -0.738 5.737 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HB3 . . . . . . . . . c25191_2mty 1 . 1 . 271 . 1 1 16 LEU HD11 H 9.341 0.694 7.538 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD11 . . . . . . . . . c25191_2mty 1 . 1 . 272 . 1 1 16 LEU HD12 H 8.602 1.578 6.167 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD12 . . . . . . . . . c25191_2mty 1 . 1 . 273 . 1 1 16 LEU HD13 H 7.754 1.495 7.743 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD13 . . . . . . . . . c25191_2mty 1 . 1 . 274 . 1 1 16 LEU HD21 H 5.680 -0.741 5.750 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD21 . . . . . . . . . c25191_2mty 1 . 1 . 275 . 1 1 16 LEU HD22 H 6.364 0.822 5.213 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD22 . . . . . . . . . c25191_2mty 1 . 1 . 276 . 1 1 16 LEU HD23 H 5.731 0.628 6.854 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HD23 . . . . . . . . . c25191_2mty 1 . 1 . 277 . 1 1 16 LEU HG H 7.411 -0.970 7.438 . . . 1.0 . . . . . . . . . . . . A . 16 LEU HG . . . . . . . . . c25191_2mty 1 . 1 . 278 . 1 1 16 LEU N N 7.238 -2.025 3.892 . . . 1.0 . . . . . . . . . . . . A . 16 LEU N . . . . . . . . . c25191_2mty 1 . 1 . 279 . 1 1 16 LEU O O 10.726 -1.408 3.497 . . . 1.0 . . . . . . . . . . . . A . 16 LEU O . . . . . . . . . c25191_2mty 1 . 1 . 280 . 1 1 17 GLY C C 9.649 -1.468 -0.669 . . . 1.0 . . . . . . . . . . . . A . 17 GLY C . . . . . . . . . c25191_2mty 1 . 1 . 281 . 1 1 17 GLY CA C 10.264 -1.504 0.738 . . . 1.0 . . . . . . . . . . . . A . 17 GLY CA . . . . . . . . . c25191_2mty 1 . 1 . 282 . 1 1 17 GLY H H 8.227 -1.470 1.568 . . . 1.0 . . . . . . . . . . . . A . 17 GLY H . . . . . . . . . c25191_2mty 1 . 1 . 283 . 1 1 17 GLY HA2 H 11.043 -0.724 0.852 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA2 . . . . . . . . . c25191_2mty 1 . 1 . 284 . 1 1 17 GLY HA3 H 10.792 -2.468 0.873 . . . 1.0 . . . . . . . . . . . . A . 17 GLY HA3 . . . . . . . . . c25191_2mty 1 . 1 . 285 . 1 1 17 GLY N N 9.234 -1.356 1.787 . . . 1.0 . . . . . . . . . . . . A . 17 GLY N . . . . . . . . . c25191_2mty 1 . 1 . 286 . 1 1 17 GLY O O 9.248 -2.512 -1.191 . . . 1.0 . . . . . . . . . . . . A . 17 GLY O . . . . . . . . . c25191_2mty 1 . 1 . 287 . 1 1 18 GLY C C 9.427 1.301 -3.185 . . . 1.0 . . . . . . . . . . . . A . 18 GLY C . . . . . . . . . c25191_2mty 1 . 1 . 288 . 1 1 18 GLY CA C 9.061 -0.088 -2.635 . . . 1.0 . . . . . . . . . . . . A . 18 GLY CA . . . . . . . . . c25191_2mty 1 . 1 . 289 . 1 1 18 GLY H H 9.983 0.511 -0.726 . . . 1.0 . . . . . . . . . . . . A . 18 GLY H . . . . . . . . . c25191_2mty 1 . 1 . 290 . 1 1 18 GLY HA2 H 9.407 -0.898 -3.308 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA2 . . . . . . . . . c25191_2mty 1 . 1 . 291 . 1 1 18 GLY HA3 H 7.959 -0.180 -2.604 . . . 1.0 . . . . . . . . . . . . A . 18 GLY HA3 . . . . . . . . . c25191_2mty 1 . 1 . 292 . 1 1 18 GLY N N 9.607 -0.270 -1.274 . . . 1.0 . . . . . . . . . . . . A . 18 GLY N . . . . . . . . . c25191_2mty 1 . 1 . 293 . 1 1 18 GLY O O 8.865 2.309 -2.746 . . . 1.0 . . . . . . . . . . . . A . 18 GLY O . . . . . . . . . c25191_2mty 1 . 1 . 294 . 1 1 19 GLY C C 9.872 3.059 -5.920 . . . 1.0 . . . . . . . . . . . . A . 19 GLY C . . . . . . . . . c25191_2mty 1 . 1 . 295 . 1 1 19 GLY CA C 10.811 2.594 -4.790 . . . 1.0 . . . . . . . . . . . . A . 19 GLY CA . . . . . . . . . c25191_2mty 1 . 1 . 296 . 1 1 19 GLY H H 10.725 0.422 -4.439 . . . 1.0 . . . . . . . . . . . . A . 19 GLY H . . . . . . . . . c25191_2mty 1 . 1 . 297 . 1 1 19 GLY HA2 H 10.972 3.378 -4.023 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA2 . . . . . . . . . c25191_2mty 1 . 1 . 298 . 1 1 19 GLY HA3 H 11.813 2.418 -5.223 . . . 1.0 . . . . . . . . . . . . A . 19 GLY HA3 . . . . . . . . . c25191_2mty 1 . 1 . 299 . 1 1 19 GLY N N 10.353 1.335 -4.159 . . . 1.0 . . . . . . . . . . . . A . 19 GLY N . . . . . . . . . c25191_2mty 1 . 1 . 300 . 1 1 19 GLY O O 9.741 2.374 -6.939 . . . 1.0 . . . . . . . . . . . . A . 19 GLY O . . . . . . . . . c25191_2mty 1 . 1 . 301 . 1 1 20 TYR C C 8.496 6.352 -6.687 . . . 1.0 . . . . . . . . . . . . A . 20 TYR C . . . . . . . . . c25191_2mty 1 . 1 . 302 . 1 1 20 TYR CA C 8.282 4.817 -6.688 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CA . . . . . . . . . c25191_2mty 1 . 1 . 303 . 1 1 20 TYR CB C 6.793 4.463 -6.389 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CB . . . . . . . . . c25191_2mty 1 . 1 . 304 . 1 1 20 TYR CD1 C 6.189 2.345 -7.687 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CD1 . . . . . . . . . c25191_2mty 1 . 1 . 305 . 1 1 20 TYR CD2 C 6.362 2.209 -5.282 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CD2 . . . . . . . . . c25191_2mty 1 . 1 . 306 . 1 1 20 TYR CE1 C 5.901 0.983 -7.741 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CE1 . . . . . . . . . c25191_2mty 1 . 1 . 307 . 1 1 20 TYR CE2 C 6.081 0.847 -5.339 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CE2 . . . . . . . . . c25191_2mty 1 . 1 . 308 . 1 1 20 TYR CG C 6.425 2.968 -6.456 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CG . . . . . . . . . c25191_2mty 1 . 1 . 309 . 1 1 20 TYR CZ C 5.847 0.234 -6.567 . . . 1.0 . . . . . . . . . . . . A . 20 TYR CZ . . . . . . . . . c25191_2mty 1 . 1 . 310 . 1 1 20 TYR H H 9.516 4.746 -4.896 . . . 1.0 . . . . . . . . . . . . A . 20 TYR H . . . . . . . . . c25191_2mty 1 . 1 . 311 . 1 1 20 TYR HA H 8.539 4.426 -7.682 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HA . . . . . . . . . c25191_2mty 1 . 1 . 312 . 1 1 20 TYR HB2 H 6.504 4.876 -5.402 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HB2 . . . . . . . . . c25191_2mty 1 . 1 . 313 . 1 1 20 TYR HB3 H 6.146 5.011 -7.102 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HB3 . . . . . . . . . c25191_2mty 1 . 1 . 314 . 1 1 20 TYR HD1 H 6.240 2.912 -8.606 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HD1 . . . . . . . . . c25191_2mty 1 . 1 . 315 . 1 1 20 TYR HD2 H 6.550 2.667 -4.321 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HD2 . . . . . . . . . c25191_2mty 1 . 1 . 316 . 1 1 20 TYR HE1 H 5.723 0.510 -8.697 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HE1 . . . . . . . . . c25191_2mty 1 . 1 . 317 . 1 1 20 TYR HE2 H 6.053 0.270 -4.427 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HE2 . . . . . . . . . c25191_2mty 1 . 1 . 318 . 1 1 20 TYR HH H 5.574 -1.465 -5.729 . . . 1.0 . . . . . . . . . . . . A . 20 TYR HH . . . . . . . . . c25191_2mty 1 . 1 . 319 . 1 1 20 TYR N N 9.224 4.219 -5.714 . . . 1.0 . . . . . . . . . . . . A . 20 TYR N . . . . . . . . . c25191_2mty 1 . 1 . 320 . 1 1 20 TYR O O 8.235 7.049 -5.703 . . . 1.0 . . . . . . . . . . . . A . 20 TYR O . . . . . . . . . c25191_2mty 1 . 1 . 321 . 1 1 20 TYR OH O 5.569 -1.109 -6.621 . . . 1.0 . . . . . . . . . . . . A . 20 TYR OH . . . . . . . . . c25191_2mty 1 stop_ save_ ########################### # Constraint Statistics # ########################### save_constraint_statistics _Constraint_stat_list.Sf_framecode constraint_statistics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID c25191_2mty _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 2mty.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25191_2mty 1 1 2mty.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25191_2mty 1 1 2mty.mr . . DISCOVER 3 stereochemistry chirality 'Not applicable' 0 c25191_2mty 1 1 2mty.mr . . DISCOVER 4 distance 'hydrogen bond' simple 2 c25191_2mty 1 1 2mty.mr . . DISCOVER 5 distance NOE simple 210 c25191_2mty 1 1 2mty.mr . . DISCOVER 6 'dihedral angle' 'Not applicable' 'Not applicable' 18 c25191_2mty 1 1 2mty.mr . . 'MR format' 7 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25191_2mty 1 stop_ save_ save_Discover_distance_constraints_5 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_5 _Gen_dist_constraint_list.Entry_ID c25191_2mty _Gen_dist_constraint_list.ID 2 _Gen_dist_constraint_list.Constraint_type NOE _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 5 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25191_2mty 1 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HA . 1 . 2 ILE HN . . . 1 . 2 ILE HA . . c25191_2mty 1 2 1 . . 1 1 3 3 LYS H H . . . 1 1 3 3 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 3 LYS HA . 1 . 3 LYS HN . . . 1 . 3 LYS HA . . c25191_2mty 1 3 1 . . 1 1 4 4 HIS H H . . . 1 1 4 4 HIS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 HIS H . . A . 4 HIS HA . 1 . 4 HIS HN . . . 1 . 4 HIS HA . . c25191_2mty 1 4 1 . . 1 1 5 5 ASN H H . . . 1 1 5 5 ASN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN H . . A . 5 ASN HA . 1 . 5 ASN HN . . . 1 . 5 ASN HA . . c25191_2mty 1 5 1 . . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ARG H . . A . 6 ARG HA . 1 . 6 ARG HN . . . 1 . 6 ARG HA . . c25191_2mty 1 6 1 . . 1 1 7 7 PHE H H . . . 1 1 7 7 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE H . . A . 7 PHE HA . 1 . 7 PHE HN . . . 1 . 7 PHE HA . . c25191_2mty 1 7 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 8 LEU H . . A . 8 LEU HA . 1 . 8 LEU HN . . . 1 . 8 LEU HA . . c25191_2mty 1 8 1 . . 1 1 9 9 SER H H . . . 1 1 9 9 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER H . . A . 9 SER HA . 1 . 9 SER HN . . . 1 . 9 SER HA . . c25191_2mty 1 9 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 GLU H . . A . 10 GLU HA . 1 . 10 GLU HN . . . 1 . 10 GLU HA . . c25191_2mty 1 10 1 . . 1 1 11 11 TYR H H . . . 1 1 11 11 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 11 TYR H . . A . 11 TYR HA . 1 . 11 TYR HN . . . 1 . 11 TYR HA . . c25191_2mty 1 11 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN H . . A . 12 GLN HA . 1 . 12 GLN HN . . . 1 . 12 GLN HA . . c25191_2mty 1 12 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 SER H . . A . 13 SER HA . 1 . 13 SER HN . . . 1 . 13 SER HA . . c25191_2mty 1 13 1 . . 1 1 14 14 ASN H H . . . 1 1 14 14 ASN HA H . . . . . 2.8 1.8 2.8 . . . . . A . 14 ASN H . . A . 14 ASN HA . 1 . 14 ASN HN . . . 1 . 14 ASN HA . . c25191_2mty 1 14 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 15 PHE H . . A . 15 PHE HA . 1 . 15 PHE HN . . . 1 . 15 PHE HA . . c25191_2mty 1 15 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 LEU H . . A . 16 LEU HA . 1 . 16 LEU HN . . . 1 . 16 LEU HA . . c25191_2mty 1 16 1 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLY H . . A . 17 GLY HA2 . 1 . 17 GLY HN . . . 1 . 17 GLY HA* . . c25191_2mty 1 16 2 OR . 1 1 17 17 GLY H H . . . 1 1 17 17 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLY H . . A . 17 GLY HA3 . 1 . 17 GLY HN . . . 1 . 17 GLY HA* . . c25191_2mty 1 17 1 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 GLY H . . A . 18 GLY HA2 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . c25191_2mty 1 17 2 OR . 1 1 18 18 GLY H H . . . 1 1 18 18 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 GLY H . . A . 18 GLY HA3 . 1 . 18 GLY HN . . . 1 . 18 GLY HA* . . c25191_2mty 1 18 1 OR . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 19 GLY H . . A . 19 GLY HA2 . 1 . 19 GLY HN . . . 1 . 19 GLY HA* . . c25191_2mty 1 18 2 OR . 1 1 19 19 GLY H H . . . 1 1 19 19 GLY HA3 H . . . . . 2.8 1.8 3.8 . . . . . A . 19 GLY H . . A . 19 GLY HA3 . 1 . 19 GLY HN . . . 1 . 19 GLY HA* . . c25191_2mty 1 19 1 . . 1 1 20 20 TYR H H . . . 1 1 20 20 TYR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 20 TYR H . . A . 20 TYR HA . 1 . 20 TYR HN . . . 1 . 20 TYR HA . . c25191_2mty 1 20 1 . . 1 1 2 2 ILE H H . . . 1 1 1 1 VAL HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 1 VAL HA . 1 . 2 ILE HN . . . 1 . 1 VALn HA . . c25191_2mty 1 21 1 . . 1 1 2 2 ILE HA H . . . 1 1 3 3 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 ILE HA . . A . 3 LYS H . 1 . 2 ILE HA . . . 1 . 3 LYS HN . . c25191_2mty 1 22 1 . . 1 1 3 3 LYS HA H . . . 1 1 4 4 HIS H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 LYS HA . . A . 4 HIS H . 1 . 3 LYS HA . . . 1 . 4 HIS HN . . c25191_2mty 1 23 1 . . 1 1 4 4 HIS HA H . . . 1 1 5 5 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 4 HIS HA . . A . 5 ASN H . 1 . 4 HIS HA . . . 1 . 5 ASN HN . . c25191_2mty 1 24 1 . . 1 1 5 5 ASN HA H . . . 1 1 6 6 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN HA . . A . 6 ARG H . 1 . 5 ASN HA . . . 1 . 6 ARG HN . . c25191_2mty 1 25 1 . . 1 1 6 6 ARG HA H . . . 1 1 7 7 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ARG HA . . A . 7 PHE H . 1 . 6 ARG HA . . . 1 . 7 PHE HN . . c25191_2mty 1 26 1 . . 1 1 7 7 PHE HA H . . . 1 1 8 8 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 7 PHE HA . . A . 8 LEU H . 1 . 7 PHE HA . . . 1 . 8 LEU HN . . c25191_2mty 1 27 1 . . 1 1 8 8 LEU HA H . . . 1 1 9 9 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU HA . . A . 9 SER H . 1 . 8 LEU HA . . . 1 . 9 SER HN . . c25191_2mty 1 28 1 . . 1 1 9 9 SER HA H . . . 1 1 10 10 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 SER HA . . A . 10 GLU H . 1 . 9 SER HA . . . 1 . 10 GLU HN . . c25191_2mty 1 29 1 . . 1 1 10 10 GLU HA H . . . 1 1 11 11 TYR H H . . . . . 2.8 1.8 2.8 . . . . . A . 10 GLU HA . . A . 11 TYR H . 1 . 10 GLU HA . . . 1 . 11 TYR HN . . c25191_2mty 1 30 1 . . 1 1 11 11 TYR HA H . . . 1 1 12 12 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 11 TYR HA . . A . 12 GLN H . 1 . 11 TYR HA . . . 1 . 12 GLN HN . . c25191_2mty 1 31 1 . . 1 1 12 12 GLN HA H . . . 1 1 13 13 SER H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 GLN HA . . A . 13 SER H . 1 . 12 GLN HA . . . 1 . 13 SER HN . . c25191_2mty 1 32 1 . . 1 1 13 13 SER HA H . . . 1 1 14 14 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 SER HA . . A . 14 ASN H . 1 . 13 SER HA . . . 1 . 14 ASN HN . . c25191_2mty 1 33 1 . . 1 1 14 14 ASN HA H . . . 1 1 15 15 PHE H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 ASN HA . . A . 15 PHE H . 1 . 14 ASN HA . . . 1 . 15 PHE HN . . c25191_2mty 1 34 1 . . 1 1 15 15 PHE HA H . . . 1 1 16 16 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 PHE HA . . A . 16 LEU H . 1 . 15 PHE HA . . . 1 . 16 LEU HN . . c25191_2mty 1 35 1 . . 1 1 16 16 LEU HA H . . . 1 1 17 17 GLY H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 LEU HA . . A . 17 GLY H . 1 . 16 LEU HA . . . 1 . 17 GLY HN . . c25191_2mty 1 36 1 OR . 1 1 18 18 GLY H H . . . 1 1 17 17 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 GLY H . . A . 17 GLY HA2 . 1 . 18 GLY HN . . . 1 . 17 GLY HA* . . c25191_2mty 1 36 2 OR . 1 1 17 17 GLY HA3 H . . . 1 1 18 18 GLY H H . . . . . 2.8 1.8 3.8 . . . . . A . 17 GLY HA3 . . A . 18 GLY H . 1 . 17 GLY HA* . . . 1 . 18 GLY HN . . c25191_2mty 1 37 1 OR . 1 1 19 19 GLY H H . . . 1 1 18 18 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 19 GLY H . . A . 18 GLY HA2 . 1 . 19 GLY HN . . . 1 . 18 GLY HA* . . c25191_2mty 1 37 2 OR . 1 1 18 18 GLY HA3 H . . . 1 1 19 19 GLY H H . . . . . 2.8 1.8 3.8 . . . . . A . 18 GLY HA3 . . A . 19 GLY H . 1 . 18 GLY HA* . . . 1 . 19 GLY HN . . c25191_2mty 1 38 1 OR . 1 1 20 20 TYR H H . . . 1 1 19 19 GLY HA2 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 TYR H . . A . 19 GLY HA2 . 1 . 20 TYR HN . . . 1 . 19 GLY HA* . . c25191_2mty 1 38 2 OR . 1 1 19 19 GLY HA3 H . . . 1 1 20 20 TYR H H . . . . . 2.8 1.8 3.8 . . . . . A . 19 GLY HA3 . . A . 20 TYR H . 1 . 19 GLY HA* . . . 1 . 20 TYR HN . . c25191_2mty 1 39 1 . . 1 1 1 1 VAL HA H . . . 1 1 1 1 VAL HB H . . . . . 2.8 1.8 2.8 . . . . . A . 1 VAL HA . . A . 1 VAL HB . 1 . 1 VALn HA . . . 1 . 1 VALn HB . . c25191_2mty 1 40 1 . . 1 1 1 1 VAL HA H . . . 1 1 1 1 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 VAL HA . . A . 1 VAL MG1 . 1 . 1 VALn HA . . . 1 . 1 VALn HGR* . . c25191_2mty 1 41 1 . . 1 1 1 1 VAL HA H . . . 1 1 1 1 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 VAL HA . . A . 1 VAL MG2 . 1 . 1 VALn HA . . . 1 . 1 VALn HGS* . . c25191_2mty 1 42 1 . . 1 1 1 1 VAL HB H . . . 1 1 1 1 VAL MG1 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 VAL HB . . A . 1 VAL MG1 . 1 . 1 VALn HB . . . 1 . 1 VALn HGR* . . c25191_2mty 1 43 1 . . 1 1 1 1 VAL HB H . . . 1 1 1 1 VAL MG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 1 VAL HB . . A . 1 VAL MG2 . 1 . 1 VALn HB . . . 1 . 1 VALn HGS* . . c25191_2mty 1 44 1 . . 1 1 1 1 VAL MG1 H . . . 1 1 1 1 VAL MG2 H . . . . . 2.8 1.8 4.8 . . . . . A . 1 VAL MG1 . . A . 1 VAL MG2 . 1 . 1 VALn HGR* . . . 1 . 1 VALn HGS* . . c25191_2mty 1 45 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HB . 1 . 2 ILE HN . . . 1 . 2 ILE HB . . c25191_2mty 1 46 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HG12 . 1 . 2 ILE HN . . . 1 . 2 ILE HG1R . . c25191_2mty 1 47 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE HG13 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 2 ILE HG13 . 1 . 2 ILE HN . . . 1 . 2 ILE HG1S . . c25191_2mty 1 48 1 . . 1 1 2 2 ILE H H . . . 1 1 2 2 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 2 ILE H . . A . 2 ILE MD . 1 . 2 ILE HN . . . 1 . 2 ILE HD1* . . c25191_2mty 1 49 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 2 ILE HB . 1 . 2 ILE HA . . . 1 . 2 ILE HB . . c25191_2mty 1 50 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 2 ILE HG12 . 1 . 2 ILE HA . . . 1 . 2 ILE HG1R . . c25191_2mty 1 51 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE HG13 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HA . . A . 2 ILE HG13 . 1 . 2 ILE HA . . . 1 . 2 ILE HG1S . . c25191_2mty 1 52 1 . . 1 1 2 2 ILE HA H . . . 1 1 2 2 ILE MD H . . . . . 3.5 2.8 4.5 . . . . . A . 2 ILE HA . . A . 2 ILE MD . 1 . 2 ILE HA . . . 1 . 2 ILE HD1* . . c25191_2mty 1 53 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE HG12 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HB . . A . 2 ILE HG12 . 1 . 2 ILE HB . . . 1 . 2 ILE HG1R . . c25191_2mty 1 54 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE HG13 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HB . . A . 2 ILE HG13 . 1 . 2 ILE HB . . . 1 . 2 ILE HG1S . . c25191_2mty 1 55 1 . . 1 1 2 2 ILE HB H . . . 1 1 2 2 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ILE HB . . A . 2 ILE MD . 1 . 2 ILE HB . . . 1 . 2 ILE HD1* . . c25191_2mty 1 56 1 . . 1 1 2 2 ILE HG12 H . . . 1 1 2 2 ILE HG13 H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE HG12 . . A . 2 ILE HG13 . 1 . 2 ILE HG1R . . . 1 . 2 ILE HG1S . . c25191_2mty 1 57 1 . . 1 1 2 2 ILE HG12 H . . . 1 1 2 2 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ILE HG12 . . A . 2 ILE MD . 1 . 2 ILE HG1R . . . 1 . 2 ILE HD1* . . c25191_2mty 1 58 1 . . 1 1 2 2 ILE HG13 H . . . 1 1 2 2 ILE MD H . . . . . 2.8 1.8 3.8 . . . . . A . 2 ILE HG13 . . A . 2 ILE MD . 1 . 2 ILE HG1S . . . 1 . 2 ILE HD1* . . c25191_2mty 1 59 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HA . . A . 3 LYS HB2 . 1 . 3 LYS HA . . . 1 . 3 LYS HBR . . c25191_2mty 1 60 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HA . . A . 3 LYS HB3 . 1 . 3 LYS HA . . . 1 . 3 LYS HBS . . c25191_2mty 1 61 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HB2 . . A . 3 LYS HB3 . 1 . 3 LYS HBR . . . 1 . 3 LYS HBS . . c25191_2mty 1 62 1 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HA . . A . 3 LYS HD2 . 1 . 3 LYS HA . . . 1 . 3 LYS HD* . . c25191_2mty 1 62 2 OR . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HA . . A . 3 LYS HD3 . 1 . 3 LYS HA . . . 1 . 3 LYS HD* . . c25191_2mty 1 63 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HA . . A . 3 LYS HG2 . 1 . 3 LYS HA . . . 1 . 3 LYS HGR . . c25191_2mty 1 64 1 . . 1 1 3 3 LYS HA H . . . 1 1 3 3 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HA . . A . 3 LYS HG3 . 1 . 3 LYS HA . . . 1 . 3 LYS HGS . . c25191_2mty 1 65 1 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HB2 . . A . 3 LYS HD2 . 1 . 3 LYS HBR . . . 1 . 3 LYS HD* . . c25191_2mty 1 65 2 OR . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HB2 . . A . 3 LYS HD3 . 1 . 3 LYS HBR . . . 1 . 3 LYS HD* . . c25191_2mty 1 66 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HB2 . . A . 3 LYS HG2 . 1 . 3 LYS HBR . . . 1 . 3 LYS HGR . . c25191_2mty 1 67 1 . . 1 1 3 3 LYS HB2 H . . . 1 1 3 3 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HB2 . . A . 3 LYS HG3 . 1 . 3 LYS HBR . . . 1 . 3 LYS HGS . . c25191_2mty 1 68 1 OR . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HG2 . . A . 3 LYS HD2 . 1 . 3 LYS HGR . . . 1 . 3 LYS HD* . . c25191_2mty 1 68 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HD3 . . A . 3 LYS HG2 . 1 . 3 LYS HD* . . . 1 . 3 LYS HGR . . c25191_2mty 1 69 1 OR . 1 1 3 3 LYS HG3 H . . . 1 1 3 3 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HG3 . . A . 3 LYS HD2 . 1 . 3 LYS HGS . . . 1 . 3 LYS HD* . . c25191_2mty 1 69 2 OR . 1 1 3 3 LYS HD3 H . . . 1 1 3 3 LYS HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 LYS HD3 . . A . 3 LYS HG3 . 1 . 3 LYS HD* . . . 1 . 3 LYS HGS . . c25191_2mty 1 70 1 . . 1 1 3 3 LYS HG2 H . . . 1 1 3 3 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS HG2 . . A . 3 LYS HG3 . 1 . 3 LYS HGR . . . 1 . 3 LYS HGS . . c25191_2mty 1 71 1 . . 1 1 4 4 HIS H H . . . 1 1 4 4 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 HIS H . . A . 4 HIS HB2 . 1 . 4 HIS HN . . . 1 . 4 HIS HBS . . c25191_2mty 1 72 1 . . 1 1 4 4 HIS H H . . . 1 1 4 4 HIS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 4 HIS H . . A . 4 HIS HB3 . 1 . 4 HIS HN . . . 1 . 4 HIS HBR . . c25191_2mty 1 73 1 . . 1 1 4 4 HIS H H . . . 1 1 4 4 HIS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 HIS H . . A . 4 HIS HD2 . 1 . 4 HIS HN . . . 1 . 4 HIS HD2 . . c25191_2mty 1 74 1 . . 1 1 4 4 HIS HA H . . . 1 1 4 4 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 HIS HA . . A . 4 HIS HB2 . 1 . 4 HIS HA . . . 1 . 4 HIS HBS . . c25191_2mty 1 75 1 . . 1 1 4 4 HIS HA H . . . 1 1 4 4 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 4 HIS HA . . A . 4 HIS HB3 . 1 . 4 HIS HA . . . 1 . 4 HIS HBR . . c25191_2mty 1 76 1 . . 1 1 4 4 HIS HA H . . . 1 1 4 4 HIS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 HIS HA . . A . 4 HIS HD2 . 1 . 4 HIS HA . . . 1 . 4 HIS HD2 . . c25191_2mty 1 77 1 . . 1 1 5 5 ASN HA H . . . 1 1 5 5 ASN HD21 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ASN HA . . A . 5 ASN HD21 . 1 . 5 ASN HA . . . 1 . 5 ASN HD21 . . c25191_2mty 1 78 1 . . 1 1 5 5 ASN HA H . . . 1 1 5 5 ASN HD22 H . . . . . 5.0 3.5 5.0 . . . . . A . 5 ASN HA . . A . 5 ASN HD22 . 1 . 5 ASN HA . . . 1 . 5 ASN HD22 . . c25191_2mty 1 79 1 OR . 1 1 5 5 ASN HD21 H . . . 1 1 5 5 ASN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ASN HD21 . . A . 5 ASN HB2 . 1 . 5 ASN HD21 . . . 1 . 5 ASN HB* . . c25191_2mty 1 79 2 OR . 1 1 5 5 ASN HD21 H . . . 1 1 5 5 ASN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ASN HD21 . . A . 5 ASN HB3 . 1 . 5 ASN HD21 . . . 1 . 5 ASN HB* . . c25191_2mty 1 80 1 OR . 1 1 5 5 ASN HD22 H . . . 1 1 5 5 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ASN HD22 . . A . 5 ASN HB2 . 1 . 5 ASN HD22 . . . 1 . 5 ASN HB* . . c25191_2mty 1 80 2 OR . 1 1 5 5 ASN HD22 H . . . 1 1 5 5 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 5 ASN HD22 . . A . 5 ASN HB3 . 1 . 5 ASN HD22 . . . 1 . 5 ASN HB* . . c25191_2mty 1 81 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG H . . A . 6 ARG HB2 . 1 . 6 ARG HN . . . 1 . 6 ARG HB* . . c25191_2mty 1 81 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG H . . A . 6 ARG HB3 . 1 . 6 ARG HN . . . 1 . 6 ARG HB* . . c25191_2mty 1 82 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ARG H . . A . 6 ARG HG2 . 1 . 6 ARG HN . . . 1 . 6 ARG HG* . . c25191_2mty 1 82 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ARG H . . A . 6 ARG HG3 . 1 . 6 ARG HN . . . 1 . 6 ARG HG* . . c25191_2mty 1 83 1 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ARG H . . A . 6 ARG HD2 . 1 . 6 ARG HN . . . 1 . 6 ARG HD* . . c25191_2mty 1 83 2 OR . 1 1 6 6 ARG H H . . . 1 1 6 6 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ARG H . . A . 6 ARG HD3 . 1 . 6 ARG HN . . . 1 . 6 ARG HD* . . c25191_2mty 1 84 1 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HD2 . 1 . 6 ARG HA . . . 1 . 6 ARG HD* . . c25191_2mty 1 84 2 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HD3 . 1 . 6 ARG HA . . . 1 . 6 ARG HD* . . c25191_2mty 1 85 1 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HB2 . 1 . 6 ARG HA . . . 1 . 6 ARG HB* . . c25191_2mty 1 85 2 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HB3 . 1 . 6 ARG HA . . . 1 . 6 ARG HB* . . c25191_2mty 1 86 1 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HG2 . 1 . 6 ARG HA . . . 1 . 6 ARG HG* . . c25191_2mty 1 86 2 OR . 1 1 6 6 ARG HA H . . . 1 1 6 6 ARG HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG HA . . A . 6 ARG HG3 . 1 . 6 ARG HA . . . 1 . 6 ARG HG* . . c25191_2mty 1 87 1 OR . 1 1 6 6 ARG HB2 H . . . 1 1 6 6 ARG HD2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB2 . . A . 6 ARG HD2 . 1 . 6 ARG HB* . . . 1 . 6 ARG HD* . . c25191_2mty 1 87 2 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HD2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB3 . . A . 6 ARG HD2 . 1 . 6 ARG HB* . . . 1 . 6 ARG HD* . . c25191_2mty 1 87 3 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HB2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HD3 . . A . 6 ARG HB2 . 1 . 6 ARG HD* . . . 1 . 6 ARG HB* . . c25191_2mty 1 87 4 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HD3 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB3 . . A . 6 ARG HD3 . 1 . 6 ARG HB* . . . 1 . 6 ARG HD* . . c25191_2mty 1 88 1 OR . 1 1 6 6 ARG HD2 H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HD2 . . A . 6 ARG HG2 . 1 . 6 ARG HD* . . . 1 . 6 ARG HG* . . c25191_2mty 1 88 2 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HD3 . . A . 6 ARG HG2 . 1 . 6 ARG HD* . . . 1 . 6 ARG HG* . . c25191_2mty 1 88 3 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG HD2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HG3 . . A . 6 ARG HD2 . 1 . 6 ARG HG* . . . 1 . 6 ARG HD* . . c25191_2mty 1 88 4 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG HD3 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HG3 . . A . 6 ARG HD3 . 1 . 6 ARG HG* . . . 1 . 6 ARG HD* . . c25191_2mty 1 89 1 OR . 1 1 6 6 ARG HB2 H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB2 . . A . 6 ARG HG2 . 1 . 6 ARG HB* . . . 1 . 6 ARG HG* . . c25191_2mty 1 89 2 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HG2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB3 . . A . 6 ARG HG2 . 1 . 6 ARG HB* . . . 1 . 6 ARG HG* . . c25191_2mty 1 89 3 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG HB2 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HG3 . . A . 6 ARG HB2 . 1 . 6 ARG HG* . . . 1 . 6 ARG HB* . . c25191_2mty 1 89 4 OR . 1 1 6 6 ARG HB3 H . . . 1 1 6 6 ARG HG3 H . . . . . 3.5 2.8 5.5 . . . . . A . 6 ARG HB3 . . A . 6 ARG HG3 . 1 . 6 ARG HB* . . . 1 . 6 ARG HG* . . c25191_2mty 1 90 1 OR . 1 1 6 6 ARG HG2 H . . . 1 1 6 6 ARG QH1 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HG2 . . A . 6 ARG QH1 . 1 . 6 ARG HG* . . . 1 . 6 ARG HH* . . c25191_2mty 1 90 2 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG QH1 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HG3 . . A . 6 ARG QH1 . 1 . 6 ARG HG* . . . 1 . 6 ARG HH* . . c25191_2mty 1 90 3 OR . 1 1 6 6 ARG QH2 H . . . 1 1 6 6 ARG HG2 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG QH2 . . A . 6 ARG HG2 . 1 . 6 ARG HH* . . . 1 . 6 ARG HG* . . c25191_2mty 1 90 4 OR . 1 1 6 6 ARG HG3 H . . . 1 1 6 6 ARG QH2 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HG3 . . A . 6 ARG QH2 . 1 . 6 ARG HG* . . . 1 . 6 ARG HH* . . c25191_2mty 1 91 1 OR . 1 1 6 6 ARG HD2 H . . . 1 1 6 6 ARG QH1 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HD2 . . A . 6 ARG QH1 . 1 . 6 ARG HD* . . . 1 . 6 ARG HH* . . c25191_2mty 1 91 2 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG QH1 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HD3 . . A . 6 ARG QH1 . 1 . 6 ARG HD* . . . 1 . 6 ARG HH* . . c25191_2mty 1 91 3 OR . 1 1 6 6 ARG QH2 H . . . 1 1 6 6 ARG HD2 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG QH2 . . A . 6 ARG HD2 . 1 . 6 ARG HH* . . . 1 . 6 ARG HD* . . c25191_2mty 1 91 4 OR . 1 1 6 6 ARG HD3 H . . . 1 1 6 6 ARG QH2 H . . . . . 2.8 1.8 6.2 . . . . . A . 6 ARG HD3 . . A . 6 ARG QH2 . 1 . 6 ARG HD* . . . 1 . 6 ARG HH* . . c25191_2mty 1 92 1 . . 1 1 7 7 PHE H H . . . 1 1 7 7 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE H . . A . 7 PHE HB2 . 1 . 7 PHE HN . . . 1 . 7 PHE HBR . . c25191_2mty 1 93 1 . . 1 1 7 7 PHE H H . . . 1 1 7 7 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE H . . A . 7 PHE HB3 . 1 . 7 PHE HN . . . 1 . 7 PHE HBS . . c25191_2mty 1 94 1 . . 1 1 7 7 PHE HA H . . . 1 1 7 7 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE HA . . A . 7 PHE HB2 . 1 . 7 PHE HA . . . 1 . 7 PHE HBR . . c25191_2mty 1 95 1 . . 1 1 7 7 PHE HA H . . . 1 1 7 7 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE HA . . A . 7 PHE HB3 . 1 . 7 PHE HA . . . 1 . 7 PHE HBS . . c25191_2mty 1 96 1 . . 1 1 7 7 PHE HB2 H . . . 1 1 7 7 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE HB2 . . A . 7 PHE HB3 . 1 . 7 PHE HBR . . . 1 . 7 PHE HBS . . c25191_2mty 1 97 1 . . 1 1 7 7 PHE HB2 H . . . 1 1 7 7 PHE QE H . . . . . 2.8 1.8 4.8 . . . . . A . 7 PHE HB2 . . A . 7 PHE QE . 1 . 7 PHE HBR . . . 1 . 7 PHE HE* . . c25191_2mty 1 98 1 . . 1 1 7 7 PHE HB3 H . . . 1 1 7 7 PHE QE H . . . . . 2.8 1.8 4.8 . . . . . A . 7 PHE HB3 . . A . 7 PHE QE . 1 . 7 PHE HBS . . . 1 . 7 PHE HE* . . c25191_2mty 1 99 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU H . . A . 8 LEU HB2 . 1 . 8 LEU HN . . . 1 . 8 LEU HB* . . c25191_2mty 1 99 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU H . . A . 8 LEU HB3 . 1 . 8 LEU HN . . . 1 . 8 LEU HB* . . c25191_2mty 1 100 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU H . . A . 8 LEU HG . 1 . 8 LEU HN . . . 1 . 8 LEU HG . . c25191_2mty 1 101 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . 1 . 8 LEU HN . . . 1 . 8 LEU HDR* . . c25191_2mty 1 102 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . 1 . 8 LEU HN . . . 1 . 8 LEU HDS* . . c25191_2mty 1 103 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU HA . . A . 8 LEU HB2 . 1 . 8 LEU HA . . . 1 . 8 LEU HB* . . c25191_2mty 1 103 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU HA . . A . 8 LEU HB3 . 1 . 8 LEU HA . . . 1 . 8 LEU HB* . . c25191_2mty 1 104 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HG H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU HA . . A . 8 LEU HG . 1 . 8 LEU HA . . . 1 . 8 LEU HG . . c25191_2mty 1 105 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . 1 . 8 LEU HA . . . 1 . 8 LEU HDR* . . c25191_2mty 1 106 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . 1 . 8 LEU HA . . . 1 . 8 LEU HDS* . . c25191_2mty 1 107 1 OR . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU HG . . A . 8 LEU HB2 . 1 . 8 LEU HG . . . 1 . 8 LEU HB* . . c25191_2mty 1 107 2 OR . 1 1 8 8 LEU HB3 H . . . 1 1 8 8 LEU HG H . . . . . 3.5 2.8 4.5 . . . . . A . 8 LEU HB3 . . A . 8 LEU HG . 1 . 8 LEU HB* . . . 1 . 8 LEU HG . . c25191_2mty 1 108 1 OR . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU HB2 H . . . . . 3.5 2.8 5.5 . . . . . A . 8 LEU MD1 . . A . 8 LEU HB2 . 1 . 8 LEU HDR* . . . 1 . 8 LEU HB* . . c25191_2mty 1 108 2 OR . 1 1 8 8 LEU HB3 H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 2.8 5.5 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD1 . 1 . 8 LEU HB* . . . 1 . 8 LEU HDR* . . c25191_2mty 1 109 1 OR . 1 1 8 8 LEU MD2 H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 4.8 . . . . . A . 8 LEU MD2 . . A . 8 LEU HB2 . 1 . 8 LEU HDS* . . . 1 . 8 LEU HB* . . c25191_2mty 1 109 2 OR . 1 1 8 8 LEU HB3 H . . . 1 1 8 8 LEU MD2 H . . . . . 2.8 1.8 4.8 . . . . . A . 8 LEU HB3 . . A . 8 LEU MD2 . 1 . 8 LEU HB* . . . 1 . 8 LEU HDS* . . c25191_2mty 1 110 1 . . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU MD1 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU HG . . A . 8 LEU MD1 . 1 . 8 LEU HG . . . 1 . 8 LEU HDR* . . c25191_2mty 1 111 1 . . 1 1 8 8 LEU HG H . . . 1 1 8 8 LEU MD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 8 LEU HG . . A . 8 LEU MD2 . 1 . 8 LEU HG . . . 1 . 8 LEU HDS* . . c25191_2mty 1 112 1 . . 1 1 8 8 LEU MD1 H . . . 1 1 8 8 LEU MD2 H . . . . . 2.8 1.8 4.8 . . . . . A . 8 LEU MD1 . . A . 8 LEU MD2 . 1 . 8 LEU HDR* . . . 1 . 8 LEU HDS* . . c25191_2mty 1 113 1 . . 1 1 9 9 SER HA H . . . 1 1 9 9 SER HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER HA . . A . 9 SER HB2 . 1 . 9 SER HA . . . 1 . 9 SER HBS . . c25191_2mty 1 114 1 . . 1 1 9 9 SER HA H . . . 1 1 9 9 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER HA . . A . 9 SER HB3 . 1 . 9 SER HA . . . 1 . 9 SER HBR . . c25191_2mty 1 115 1 . . 1 1 9 9 SER HB2 H . . . 1 1 9 9 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER HB2 . . A . 9 SER HB3 . 1 . 9 SER HBS . . . 1 . 9 SER HBR . . c25191_2mty 1 116 1 . . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER H . . A . 9 SER HB2 . 1 . 9 SER HN . . . 1 . 9 SER HBS . . c25191_2mty 1 117 1 . . 1 1 9 9 SER H H . . . 1 1 9 9 SER HB3 H . . . . . 2.8 2.8 3.8 . . . . . A . 9 SER H . . A . 9 SER HB3 . 1 . 9 SER HN . . . 1 . 9 SER HBR . . c25191_2mty 1 118 1 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG2 H . . . . . 2.8 2.8 3.8 . . . . . A . 10 GLU H . . A . 10 GLU HG2 . 1 . 10 GLU HN . . . 1 . 10 GLU HG* . . c25191_2mty 1 118 2 OR . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HG3 H . . . . . 2.8 2.8 3.8 . . . . . A . 10 GLU H . . A . 10 GLU HG3 . 1 . 10 GLU HN . . . 1 . 10 GLU HG* . . c25191_2mty 1 119 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB2 H . . . . . 2.8 2.8 3.5 . . . . . A . 10 GLU H . . A . 10 GLU HB2 . 1 . 10 GLU HN . . . 1 . 10 GLU HBR . . c25191_2mty 1 120 1 . . 1 1 10 10 GLU H H . . . 1 1 10 10 GLU HB3 H . . . . . 2.8 2.8 3.5 . . . . . A . 10 GLU H . . A . 10 GLU HB3 . 1 . 10 GLU HN . . . 1 . 10 GLU HBS . . c25191_2mty 1 121 1 . . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HB2 H . . . . . 2.8 2.8 3.5 . . . . . A . 10 GLU HA . . A . 10 GLU HB2 . 1 . 10 GLU HA . . . 1 . 10 GLU HBR . . c25191_2mty 1 122 1 . . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HB3 H . . . . . 2.8 2.8 3.5 . . . . . A . 10 GLU HA . . A . 10 GLU HB3 . 1 . 10 GLU HA . . . 1 . 10 GLU HBS . . c25191_2mty 1 123 1 OR . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HG2 H . . . . . 3.5 3.5 4.5 . . . . . A . 10 GLU HA . . A . 10 GLU HG2 . 1 . 10 GLU HA . . . 1 . 10 GLU HG* . . c25191_2mty 1 123 2 OR . 1 1 10 10 GLU HA H . . . 1 1 10 10 GLU HG3 H . . . . . 3.5 3.5 4.5 . . . . . A . 10 GLU HA . . A . 10 GLU HG3 . 1 . 10 GLU HA . . . 1 . 10 GLU HG* . . c25191_2mty 1 124 1 . . 1 1 11 11 TYR HA H . . . 1 1 11 11 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 11 TYR HA . . A . 11 TYR QD . 1 . 11 TYR HA . . . 1 . 11 TYR HD* . . c25191_2mty 1 125 1 . . 1 1 11 11 TYR HA H . . . 1 1 11 11 TYR QE H . . . . . 3.5 2.8 5.5 . . . . . A . 11 TYR HA . . A . 11 TYR QE . 1 . 11 TYR HA . . . 1 . 11 TYR HE* . . c25191_2mty 1 126 1 OR . 1 1 11 11 TYR HA H . . . 1 1 11 11 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 TYR HA . . A . 11 TYR HB2 . 1 . 11 TYR HA . . . 1 . 11 TYR HB* . . c25191_2mty 1 126 2 OR . 1 1 11 11 TYR HA H . . . 1 1 11 11 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 TYR HA . . A . 11 TYR HB3 . 1 . 11 TYR HA . . . 1 . 11 TYR HB* . . c25191_2mty 1 127 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN H . . A . 12 GLN HB2 . 1 . 12 GLN HN . . . 1 . 12 GLN HBR . . c25191_2mty 1 128 1 . . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLN H . . A . 12 GLN HB3 . 1 . 12 GLN HN . . . 1 . 12 GLN HBS . . c25191_2mty 1 129 1 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG2 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLN H . . A . 12 GLN HG2 . 1 . 12 GLN HN . . . 1 . 12 GLN HG* . . c25191_2mty 1 129 2 OR . 1 1 12 12 GLN H H . . . 1 1 12 12 GLN HG3 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLN H . . A . 12 GLN HG3 . 1 . 12 GLN HN . . . 1 . 12 GLN HG* . . c25191_2mty 1 130 1 . . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN HA . . A . 12 GLN HB2 . 1 . 12 GLN HA . . . 1 . 12 GLN HBR . . c25191_2mty 1 131 1 . . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN HA . . A . 12 GLN HB3 . 1 . 12 GLN HA . . . 1 . 12 GLN HBS . . c25191_2mty 1 132 1 OR . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HA . . A . 12 GLN HG2 . 1 . 12 GLN HA . . . 1 . 12 GLN HG* . . c25191_2mty 1 132 2 OR . 1 1 12 12 GLN HA H . . . 1 1 12 12 GLN HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HA . . A . 12 GLN HG3 . 1 . 12 GLN HA . . . 1 . 12 GLN HG* . . c25191_2mty 1 133 1 . . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN HB2 . . A . 12 GLN HB3 . 1 . 12 GLN HBR . . . 1 . 12 GLN HBS . . c25191_2mty 1 134 1 OR . 1 1 12 12 GLN HB3 H . . . 1 1 12 12 GLN HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HB3 . . A . 12 GLN HG2 . 1 . 12 GLN HBS . . . 1 . 12 GLN HG* . . c25191_2mty 1 134 2 OR . 1 1 12 12 GLN HB3 H . . . 1 1 12 12 GLN HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HB3 . . A . 12 GLN HG3 . 1 . 12 GLN HBS . . . 1 . 12 GLN HG* . . c25191_2mty 1 135 1 OR . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HB2 . . A . 12 GLN HG2 . 1 . 12 GLN HBR . . . 1 . 12 GLN HG* . . c25191_2mty 1 135 2 OR . 1 1 12 12 GLN HB2 H . . . 1 1 12 12 GLN HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 12 GLN HB2 . . A . 12 GLN HG3 . 1 . 12 GLN HBR . . . 1 . 12 GLN HG* . . c25191_2mty 1 136 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 SER H . . A . 13 SER HB2 . 1 . 13 SER HN . . . 1 . 13 SER HBS . . c25191_2mty 1 137 1 . . 1 1 13 13 SER H H . . . 1 1 13 13 SER HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 SER H . . A . 13 SER HB3 . 1 . 13 SER HN . . . 1 . 13 SER HBR . . c25191_2mty 1 138 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 SER HA . . A . 13 SER HB2 . 1 . 13 SER HA . . . 1 . 13 SER HBS . . c25191_2mty 1 139 1 . . 1 1 13 13 SER HA H . . . 1 1 13 13 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 13 SER HA . . A . 13 SER HB3 . 1 . 13 SER HA . . . 1 . 13 SER HBR . . c25191_2mty 1 140 1 . . 1 1 14 14 ASN HA H . . . 1 1 14 14 ASN HD21 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 ASN HA . . A . 14 ASN HD21 . 1 . 14 ASN HA . . . 1 . 14 ASN HD21 . . c25191_2mty 1 141 1 . . 1 1 14 14 ASN HA H . . . 1 1 14 14 ASN HD22 H . . . . . 5.0 3.5 5.0 . . . . . A . 14 ASN HA . . A . 14 ASN HD22 . 1 . 14 ASN HA . . . 1 . 14 ASN HD22 . . c25191_2mty 1 142 1 OR . 1 1 14 14 ASN HD21 H . . . 1 1 14 14 ASN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 ASN HD21 . . A . 14 ASN HB2 . 1 . 14 ASN HD21 . . . 1 . 14 ASN HB* . . c25191_2mty 1 142 2 OR . 1 1 14 14 ASN HD21 H . . . 1 1 14 14 ASN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 14 ASN HD21 . . A . 14 ASN HB3 . 1 . 14 ASN HD21 . . . 1 . 14 ASN HB* . . c25191_2mty 1 143 1 OR . 1 1 14 14 ASN HD22 H . . . 1 1 14 14 ASN HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ASN HD22 . . A . 14 ASN HB2 . 1 . 14 ASN HD22 . . . 1 . 14 ASN HB* . . c25191_2mty 1 143 2 OR . 1 1 14 14 ASN HD22 H . . . 1 1 14 14 ASN HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 ASN HD22 . . A . 14 ASN HB3 . 1 . 14 ASN HD22 . . . 1 . 14 ASN HB* . . c25191_2mty 1 144 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 PHE H . . A . 15 PHE HB2 . 1 . 15 PHE HN . . . 1 . 15 PHE HBR . . c25191_2mty 1 145 1 . . 1 1 15 15 PHE H H . . . 1 1 15 15 PHE HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 15 PHE H . . A . 15 PHE HB3 . 1 . 15 PHE HN . . . 1 . 15 PHE HBS . . c25191_2mty 1 146 1 . . 1 1 15 15 PHE HA H . . . 1 1 15 15 PHE HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 PHE HA . . A . 15 PHE HB2 . 1 . 15 PHE HA . . . 1 . 15 PHE HBR . . c25191_2mty 1 147 1 . . 1 1 15 15 PHE HA H . . . 1 1 15 15 PHE HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 15 PHE HA . . A . 15 PHE HB3 . 1 . 15 PHE HA . . . 1 . 15 PHE HBS . . c25191_2mty 1 148 1 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU H . . A . 16 LEU HB2 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . c25191_2mty 1 148 2 OR . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU H . . A . 16 LEU HB3 . 1 . 16 LEU HN . . . 1 . 16 LEU HB* . . c25191_2mty 1 149 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU HG H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU H . . A . 16 LEU HG . 1 . 16 LEU HN . . . 1 . 16 LEU HG . . c25191_2mty 1 150 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU H . . A . 16 LEU MD1 . 1 . 16 LEU HN . . . 1 . 16 LEU HDR* . . c25191_2mty 1 151 1 . . 1 1 16 16 LEU H H . . . 1 1 16 16 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU H . . A . 16 LEU MD2 . 1 . 16 LEU HN . . . 1 . 16 LEU HDS* . . c25191_2mty 1 152 1 OR . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU HA . . A . 16 LEU HB2 . 1 . 16 LEU HA . . . 1 . 16 LEU HB* . . c25191_2mty 1 152 2 OR . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU HA . . A . 16 LEU HB3 . 1 . 16 LEU HA . . . 1 . 16 LEU HB* . . c25191_2mty 1 153 1 . . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU HG H . . . . . 3.5 2.8 3.5 . . . . . A . 16 LEU HA . . A . 16 LEU HG . 1 . 16 LEU HA . . . 1 . 16 LEU HG . . c25191_2mty 1 154 1 . . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU HA . . A . 16 LEU MD1 . 1 . 16 LEU HA . . . 1 . 16 LEU HDR* . . c25191_2mty 1 155 1 . . 1 1 16 16 LEU HA H . . . 1 1 16 16 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU HA . . A . 16 LEU MD2 . 1 . 16 LEU HA . . . 1 . 16 LEU HDS* . . c25191_2mty 1 156 1 OR . 1 1 16 16 LEU HG H . . . 1 1 16 16 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU HG . . A . 16 LEU HB2 . 1 . 16 LEU HG . . . 1 . 16 LEU HB* . . c25191_2mty 1 156 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 16 16 LEU HG H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU HB3 . . A . 16 LEU HG . 1 . 16 LEU HB* . . . 1 . 16 LEU HG . . c25191_2mty 1 157 1 OR . 1 1 16 16 LEU MD1 H . . . 1 1 16 16 LEU HB2 H . . . . . 3.5 2.8 5.5 . . . . . A . 16 LEU MD1 . . A . 16 LEU HB2 . 1 . 16 LEU HDR* . . . 1 . 16 LEU HB* . . c25191_2mty 1 157 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 16 16 LEU MD1 H . . . . . 3.5 2.8 5.5 . . . . . A . 16 LEU HB3 . . A . 16 LEU MD1 . 1 . 16 LEU HB* . . . 1 . 16 LEU HDR* . . c25191_2mty 1 158 1 OR . 1 1 16 16 LEU MD2 H . . . 1 1 16 16 LEU HB2 H . . . . . 2.8 1.8 4.8 . . . . . A . 16 LEU MD2 . . A . 16 LEU HB2 . 1 . 16 LEU HDS* . . . 1 . 16 LEU HB* . . c25191_2mty 1 158 2 OR . 1 1 16 16 LEU HB3 H . . . 1 1 16 16 LEU MD2 H . . . . . 2.8 1.8 4.8 . . . . . A . 16 LEU HB3 . . A . 16 LEU MD2 . 1 . 16 LEU HB* . . . 1 . 16 LEU HDS* . . c25191_2mty 1 159 1 . . 1 1 16 16 LEU HG H . . . 1 1 16 16 LEU MD1 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU HG . . A . 16 LEU MD1 . 1 . 16 LEU HG . . . 1 . 16 LEU HDR* . . c25191_2mty 1 160 1 . . 1 1 16 16 LEU HG H . . . 1 1 16 16 LEU MD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 16 LEU HG . . A . 16 LEU MD2 . 1 . 16 LEU HG . . . 1 . 16 LEU HDS* . . c25191_2mty 1 161 1 . . 1 1 16 16 LEU MD1 H . . . 1 1 16 16 LEU MD2 H . . . . . 2.8 1.8 4.8 . . . . . A . 16 LEU MD1 . . A . 16 LEU MD2 . 1 . 16 LEU HDR* . . . 1 . 16 LEU HDS* . . c25191_2mty 1 162 1 . . 1 1 20 20 TYR HA H . . . 1 1 20 20 TYR QD H . . . . . 2.8 1.8 4.8 . . . . . A . 20 TYR HA . . A . 20 TYR QD . 1 . 20 TYR HA . . . 1 . 20 TYR HD* . . c25191_2mty 1 163 1 . . 1 1 20 20 TYR HA H . . . 1 1 20 20 TYR QE H . . . . . 3.5 2.8 5.5 . . . . . A . 20 TYR HA . . A . 20 TYR QE . 1 . 20 TYR HA . . . 1 . 20 TYR HE* . . c25191_2mty 1 164 1 OR . 1 1 20 20 TYR HA H . . . 1 1 20 20 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 TYR HA . . A . 20 TYR HB2 . 1 . 20 TYR HA . . . 1 . 20 TYR HB* . . c25191_2mty 1 164 2 OR . 1 1 20 20 TYR HA H . . . 1 1 20 20 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 20 TYR HA . . A . 20 TYR HB3 . 1 . 20 TYR HA . . . 1 . 20 TYR HB* . . c25191_2mty 1 165 1 . . 1 1 2 2 ILE H H . . . 1 1 3 3 LYS H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 ILE H . . A . 3 LYS H . 1 . 2 ILE HN . . . 1 . 3 LYS HN . . c25191_2mty 1 166 1 . . 1 1 3 3 LYS H H . . . 1 1 4 4 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 3 LYS H . . A . 4 HIS H . 1 . 3 LYS HN . . . 1 . 4 HIS HN . . c25191_2mty 1 167 1 . . 1 1 4 4 HIS H H . . . 1 1 5 5 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 4 HIS H . . A . 5 ASN H . 1 . 4 HIS HN . . . 1 . 5 ASN HN . . c25191_2mty 1 168 1 . . 1 1 5 5 ASN H H . . . 1 1 6 6 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN H . . A . 6 ARG H . 1 . 5 ASN HN . . . 1 . 6 ARG HN . . c25191_2mty 1 169 1 . . 1 1 6 6 ARG H H . . . 1 1 7 7 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ARG H . . A . 7 PHE H . 1 . 6 ARG HN . . . 1 . 7 PHE HN . . c25191_2mty 1 170 1 . . 1 1 7 7 PHE H H . . . 1 1 8 8 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 7 PHE H . . A . 8 LEU H . 1 . 7 PHE HN . . . 1 . 8 LEU HN . . c25191_2mty 1 171 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 LEU H . . A . 9 SER H . 1 . 8 LEU HN . . . 1 . 9 SER HN . . c25191_2mty 1 172 1 . . 1 1 9 9 SER H H . . . 1 1 10 10 GLU H H . . . . . 2.8 1.8 2.8 . . . . . A . 9 SER H . . A . 10 GLU H . 1 . 9 SER HN . . . 1 . 10 GLU HN . . c25191_2mty 1 173 1 . . 1 1 10 10 GLU H H . . . 1 1 11 11 TYR H H . . . . . 2.8 1.8 2.8 . . . . . A . 10 GLU H . . A . 11 TYR H . 1 . 10 GLU HN . . . 1 . 11 TYR HN . . c25191_2mty 1 174 1 . . 1 1 11 11 TYR H H . . . 1 1 12 12 GLN H H . . . . . 2.8 1.8 2.8 . . . . . A . 11 TYR H . . A . 12 GLN H . 1 . 11 TYR HN . . . 1 . 12 GLN HN . . c25191_2mty 1 175 1 . . 1 1 12 12 GLN H H . . . 1 1 13 13 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN H . . A . 13 SER H . 1 . 12 GLN HN . . . 1 . 13 SER HN . . c25191_2mty 1 176 1 . . 1 1 13 13 SER H H . . . 1 1 14 14 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 13 SER H . . A . 14 ASN H . 1 . 13 SER HN . . . 1 . 14 ASN HN . . c25191_2mty 1 177 1 . . 1 1 14 14 ASN H H . . . 1 1 15 15 PHE H H . . . . . 2.8 1.8 2.8 . . . . . A . 14 ASN H . . A . 15 PHE H . 1 . 14 ASN HN . . . 1 . 15 PHE HN . . c25191_2mty 1 178 1 . . 1 1 15 15 PHE H H . . . 1 1 16 16 LEU H H . . . . . 3.5 2.8 4.5 . . . . . A . 15 PHE H . . A . 16 LEU H . 1 . 15 PHE HN . . . 1 . 16 LEU HN . . c25191_2mty 1 179 1 . . 1 1 16 16 LEU H H . . . 1 1 17 17 GLY H H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU H . . A . 17 GLY H . 1 . 16 LEU HN . . . 1 . 17 GLY HN . . c25191_2mty 1 180 1 . . 1 1 17 17 GLY H H . . . 1 1 18 18 GLY H H . . . . . 3.5 2.8 4.5 . . . . . A . 17 GLY H . . A . 18 GLY H . 1 . 17 GLY HN . . . 1 . 18 GLY HN . . c25191_2mty 1 181 1 . . 1 1 18 18 GLY H H . . . 1 1 19 19 GLY H H . . . . . 3.5 2.8 4.5 . . . . . A . 18 GLY H . . A . 19 GLY H . 1 . 18 GLY HN . . . 1 . 19 GLY HN . . c25191_2mty 1 182 1 . . 1 1 19 19 GLY H H . . . 1 1 20 20 TYR H H . . . . . 3.5 2.8 4.5 . . . . . A . 19 GLY H . . A . 20 TYR H . 1 . 19 GLY HN . . . 1 . 20 TYR HN . . c25191_2mty 1 183 1 . . 1 1 3 3 LYS H H . . . 1 1 2 2 ILE HB H . . . . . 3.5 2.8 4.5 . . . . . A . 3 LYS H . . A . 2 ILE HB . 1 . 3 LYS HN . . . 1 . 2 ILE HB . . c25191_2mty 1 184 1 OR . 1 1 6 6 ARG H H . . . 1 1 5 5 ASN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG H . . A . 5 ASN HB2 . 1 . 6 ARG HN . . . 1 . 5 ASN HB* . . c25191_2mty 1 184 2 OR . 1 1 6 6 ARG H H . . . 1 1 5 5 ASN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 6 ARG H . . A . 5 ASN HB3 . 1 . 6 ARG HN . . . 1 . 5 ASN HB* . . c25191_2mty 1 185 1 . . 1 1 16 16 LEU H H . . . 1 1 15 15 PHE HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU H . . A . 15 PHE HB2 . 1 . 16 LEU HN . . . 1 . 15 PHE HBR . . c25191_2mty 1 186 1 . . 1 1 16 16 LEU H H . . . 1 1 15 15 PHE HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 16 LEU H . . A . 15 PHE HB3 . 1 . 16 LEU HN . . . 1 . 15 PHE HBS . . c25191_2mty 1 187 1 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 LEU HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 17 GLY H . . A . 16 LEU HB2 . 1 . 17 GLY HN . . . 1 . 16 LEU HB* . . c25191_2mty 1 187 2 OR . 1 1 17 17 GLY H H . . . 1 1 16 16 LEU HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 17 GLY H . . A . 16 LEU HB3 . 1 . 17 GLY HN . . . 1 . 16 LEU HB* . . c25191_2mty 1 188 1 OR . 1 1 7 7 PHE H H . . . 1 1 6 6 ARG HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 7 PHE H . . A . 6 ARG HB2 . 1 . 7 PHE HN . . . 1 . 6 ARG HB* . . c25191_2mty 1 188 2 OR . 1 1 7 7 PHE H H . . . 1 1 6 6 ARG HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 7 PHE H . . A . 6 ARG HB3 . 1 . 7 PHE HN . . . 1 . 6 ARG HB* . . c25191_2mty 1 189 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 SER H . . A . 12 GLN HB2 . 1 . 13 SER HN . . . 1 . 12 GLN HBR . . c25191_2mty 1 190 1 . . 1 1 13 13 SER H H . . . 1 1 12 12 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 SER H . . A . 12 GLN HB3 . 1 . 13 SER HN . . . 1 . 12 GLN HBS . . c25191_2mty 1 191 1 . . 1 1 5 5 ASN H H . . . 1 1 4 4 HIS HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ASN H . . A . 4 HIS HB2 . 1 . 5 ASN HN . . . 1 . 4 HIS HBS . . c25191_2mty 1 192 1 . . 1 1 5 5 ASN H H . . . 1 1 4 4 HIS HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 5 ASN H . . A . 4 HIS HB3 . 1 . 5 ASN HN . . . 1 . 4 HIS HBR . . c25191_2mty 1 193 1 . . 1 1 2 2 ILE HA H . . . 1 1 5 5 ASN H H . . . . . 3.5 2.8 4.5 . . . . . A . 2 ILE HA . . A . 5 ASN H . 1 . 2 ILE HA . . . 1 . 5 ASN HN . . c25191_2mty 1 194 1 . . 1 1 9 9 SER HA H . . . 1 1 12 12 GLN H H . . . . . 3.5 2.8 4.5 . . . . . A . 9 SER HA . . A . 12 GLN H . 1 . 9 SER HA . . . 1 . 12 GLN HN . . c25191_2mty 1 195 1 . . 1 1 10 10 GLU HA H . . . 1 1 13 13 SER H H . . . . . 3.5 2.8 4.5 . . . . . A . 10 GLU HA . . A . 13 SER H . 1 . 10 GLU HA . . . 1 . 13 SER HN . . c25191_2mty 1 196 1 . . 1 1 11 11 TYR HA H . . . 1 1 14 14 ASN H H . . . . . 3.5 2.8 4.5 . . . . . A . 11 TYR HA . . A . 14 ASN H . 1 . 11 TYR HA . . . 1 . 14 ASN HN . . c25191_2mty 1 197 1 . . 1 1 12 12 GLN HA H . . . 1 1 15 15 PHE H H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLN HA . . A . 15 PHE H . 1 . 12 GLN HA . . . 1 . 15 PHE HN . . c25191_2mty 1 198 1 . . 1 1 13 13 SER HA H . . . 1 1 16 16 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 SER HA . . A . 16 LEU H . 1 . 13 SER HA . . . 1 . 16 LEU HN . . c25191_2mty 1 199 1 . . 1 1 14 14 ASN HA H . . . 1 1 17 17 GLY H H . . . . . 3.5 2.8 4.5 . . . . . A . 14 ASN HA . . A . 17 GLY H . 1 . 14 ASN HA . . . 1 . 17 GLY HN . . c25191_2mty 1 200 1 . . 1 1 9 9 SER HA H . . . 1 1 12 12 GLN HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 9 SER HA . . A . 12 GLN HB2 . 1 . 9 SER HA . . . 1 . 12 GLN HBR . . c25191_2mty 1 201 1 . . 1 1 9 9 SER HA H . . . 1 1 12 12 GLN HB3 H . . . . . 3.5 2.8 4.5 . . . . . A . 9 SER HA . . A . 12 GLN HB3 . 1 . 9 SER HA . . . 1 . 12 GLN HBS . . c25191_2mty 1 202 1 . . 1 1 7 7 PHE HA H . . . 1 1 9 9 SER H H . . . . . 3.5 2.8 4.5 . . . . . A . 7 PHE HA . . A . 9 SER H . 1 . 7 PHE HA . . . 1 . 9 SER HN . . c25191_2mty 1 203 1 . . 1 1 9 9 SER HA H . . . 1 1 11 11 TYR H H . . . . . 3.5 2.8 4.5 . . . . . A . 9 SER HA . . A . 11 TYR H . 1 . 9 SER HA . . . 1 . 11 TYR HN . . c25191_2mty 1 204 1 . . 1 1 10 10 GLU HA H . . . 1 1 12 12 GLN H H . . . . . 3.5 2.8 4.5 . . . . . A . 10 GLU HA . . A . 12 GLN H . 1 . 10 GLU HA . . . 1 . 12 GLN HN . . c25191_2mty 1 205 1 . . 1 1 13 13 SER HA H . . . 1 1 15 15 PHE H H . . . . . 3.5 2.8 4.5 . . . . . A . 13 SER HA . . A . 15 PHE H . 1 . 13 SER HA . . . 1 . 15 PHE HN . . c25191_2mty 1 206 1 . . 1 1 12 12 GLN HA H . . . 1 1 9 9 SER HB2 H . . . . . 3.5 2.8 4.5 . . . . . A . 12 GLN HA . . A . 9 SER HB2 . 1 . 12 GLN HA . . . 1 . 9 SER HBS . . c25191_2mty 1 207 1 . . 1 1 12 12 GLN HA H . . . 1 1 9 9 SER HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 GLN HA . . A . 9 SER HB3 . 1 . 12 GLN HA . . . 1 . 9 SER HBR . . c25191_2mty 1 208 1 OR . 1 1 11 11 TYR HA H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 TYR HA . . A . 8 LEU HB2 . 1 . 11 TYR HA . . . 1 . 8 LEU HB* . . c25191_2mty 1 208 2 OR . 1 1 11 11 TYR HA H . . . 1 1 8 8 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 TYR HA . . A . 8 LEU HB3 . 1 . 11 TYR HA . . . 1 . 8 LEU HB* . . c25191_2mty 1 stop_ loop_ _Gen_dist_constraint_parse_err.ID _Gen_dist_constraint_parse_err.Content _Gen_dist_constraint_parse_err.Begin_line _Gen_dist_constraint_parse_err.Begin_column _Gen_dist_constraint_parse_err.End_line _Gen_dist_constraint_parse_err.End_column _Gen_dist_constraint_parse_err.Entry_ID _Gen_dist_constraint_parse_err.Gen_dist_constraint_list_ID 1 3.000000E+02 214 1 214 12 c25191_2mty 1 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 NOE_distance 1 1 1 13 c25191_2mty 1 2 strong: 2 87 2 102 c25191_2mty 1 3 strong: 3 87 3 107 c25191_2mty 1 4 strong: 4 87 4 108 c25191_2mty 1 5 strong: 5 87 5 95 c25191_2mty 1 6 strong: 6 87 6 100 c25191_2mty 1 7 strong: 7 87 7 106 c25191_2mty 1 8 strong: 8 87 8 95 c25191_2mty 1 9 strong: 9 87 9 94 c25191_2mty 1 10 strong: 10 87 10 94 c25191_2mty 1 11 strong: 11 87 11 94 c25191_2mty 1 12 strong: 12 87 12 94 c25191_2mty 1 13 strong: 13 87 13 94 c25191_2mty 1 14 strong: 14 87 14 94 c25191_2mty 1 15 strong: 15 87 15 94 c25191_2mty 1 16 strong: 16 87 16 94 c25191_2mty 1 17 strong: 17 87 17 94 c25191_2mty 1 18 strong: 18 87 18 94 c25191_2mty 1 19 strong: 19 87 19 94 c25191_2mty 1 20 strong: 20 87 20 94 c25191_2mty 1 21 strong: 21 87 21 96 c25191_2mty 1 22 medium: 22 87 22 95 c25191_2mty 1 23 medium: 23 87 23 96 c25191_2mty 1 24 medium: 24 87 24 94 c25191_2mty 1 25 strong: 25 87 25 102 c25191_2mty 1 26 strong: 26 87 26 100 c25191_2mty 1 27 medium: 27 87 27 100 c25191_2mty 1 28 medium: 28 87 28 95 c25191_2mty 1 29 medium: 29 87 29 103 c25191_2mty 1 30 strong: 30 87 30 106 c25191_2mty 1 31 strong: 31 87 31 97 c25191_2mty 1 32 medium: 32 87 32 105 c25191_2mty 1 33 medium: 33 87 33 94 c25191_2mty 1 34 medium: 34 87 34 94 c25191_2mty 1 35 strong: 35 87 35 94 c25191_2mty 1 36 strong: 36 87 36 94 c25191_2mty 1 37 strong: 37 87 37 94 c25191_2mty 1 38 strong: 38 87 38 94 c25191_2mty 1 39 strong: 39 87 39 94 c25191_2mty 1 40 strong: 40 87 40 94 c25191_2mty 1 41 strong: 41 87 41 94 c25191_2mty 1 42 strong: 42 87 42 94 c25191_2mty 1 43 strong: 43 87 43 94 c25191_2mty 1 44 strong: 44 87 44 94 c25191_2mty 1 45 strong: 45 87 45 94 c25191_2mty 1 46 strong: 46 87 46 95 c25191_2mty 1 47 strong: 47 87 47 94 c25191_2mty 1 48 strong: 48 87 48 94 c25191_2mty 1 49 medium: 49 87 49 94 c25191_2mty 1 50 strong: 50 87 50 94 c25191_2mty 1 51 strong: 51 87 51 94 c25191_2mty 1 52 strong: 52 87 52 94 c25191_2mty 1 53 medium: 53 87 53 94 c25191_2mty 1 54 strong: 54 87 54 94 c25191_2mty 1 55 strong: 55 87 55 94 c25191_2mty 1 56 strong: 56 87 56 94 c25191_2mty 1 57 strong: 57 87 57 94 c25191_2mty 1 58 strong: 58 87 58 94 c25191_2mty 1 59 strong: 59 87 59 94 c25191_2mty 1 60 strong: 60 87 60 94 c25191_2mty 1 61 strong: 61 87 61 94 c25191_2mty 1 62 strong: 62 87 62 94 c25191_2mty 1 63 strong: 63 87 63 94 c25191_2mty 1 64 strong: 64 87 64 94 c25191_2mty 1 65 strong: 65 87 65 94 c25191_2mty 1 66 strong: 66 87 66 94 c25191_2mty 1 67 strong: 67 87 67 94 c25191_2mty 1 68 strong: 68 87 68 94 c25191_2mty 1 69 strong: 69 87 69 94 c25191_2mty 1 70 strong: 70 87 70 94 c25191_2mty 1 71 strong: 71 87 71 94 c25191_2mty 1 72 strong: 72 87 72 95 c25191_2mty 1 73 medium: 73 87 73 95 c25191_2mty 1 74 strong: 74 87 74 94 c25191_2mty 1 75 strong: 75 87 75 94 c25191_2mty 1 76 strong: 76 87 76 95 c25191_2mty 1 77 strong: 77 87 77 95 c25191_2mty 1 78 strong: 78 87 78 94 c25191_2mty 1 79 strong: 79 87 79 94 c25191_2mty 1 80 medium: 80 87 80 94 c25191_2mty 1 81 weak: 81 87 81 92 c25191_2mty 1 82 medium: 82 87 82 94 c25191_2mty 1 83 strong: 83 87 83 94 c25191_2mty 1 84 medium: 84 87 84 94 c25191_2mty 1 85 strong: 85 87 85 94 c25191_2mty 1 86 strong: 86 87 86 94 c25191_2mty 1 87 medium: 87 87 87 94 c25191_2mty 1 88 medium: 88 87 88 94 c25191_2mty 1 89 medium: 89 87 89 94 c25191_2mty 1 90 medium: 90 87 90 94 c25191_2mty 1 91 medium: 91 87 91 94 c25191_2mty 1 92 medium: 92 87 92 94 c25191_2mty 1 93 strong: 93 87 93 94 c25191_2mty 1 94 strong: 94 87 94 94 c25191_2mty 1 95 strong: 95 87 95 94 c25191_2mty 1 96 strong: 96 87 96 94 c25191_2mty 1 97 strong: 97 87 97 94 c25191_2mty 1 98 strong: 98 87 98 94 c25191_2mty 1 99 strong: 99 87 99 94 c25191_2mty 1 100 strong: 100 87 100 94 c25191_2mty 1 101 strong: 101 87 101 94 c25191_2mty 1 102 strong: 102 87 102 94 c25191_2mty 1 103 medium: 103 87 103 94 c25191_2mty 1 104 medium: 104 87 104 94 c25191_2mty 1 105 medium: 105 87 105 94 c25191_2mty 1 106 strong: 106 87 106 94 c25191_2mty 1 107 medium: 107 87 107 94 c25191_2mty 1 108 medium: 108 87 108 94 c25191_2mty 1 109 medium: 109 87 109 94 c25191_2mty 1 110 medium: 110 87 110 94 c25191_2mty 1 111 medium: 111 87 111 94 c25191_2mty 1 112 strong: 112 87 112 94 c25191_2mty 1 113 strong: 113 87 113 94 c25191_2mty 1 114 strong: 114 87 114 94 c25191_2mty 1 115 strong: 115 87 115 94 c25191_2mty 1 116 strong: 116 87 116 94 c25191_2mty 1 117 strong: 117 87 117 94 c25191_2mty 1 118 strong: 118 87 118 94 c25191_2mty 1 119 strong: 119 87 119 96 c25191_2mty 1 120 medium: 120 87 120 95 c25191_2mty 1 121 medium: 121 87 121 96 c25191_2mty 1 122 medium: 122 87 122 97 c25191_2mty 1 123 medium: 123 87 123 95 c25191_2mty 1 124 medium: 124 87 124 95 c25191_2mty 1 125 medium: 125 87 125 96 c25191_2mty 1 126 weak: 126 87 126 92 c25191_2mty 1 127 strong: 127 87 127 94 c25191_2mty 1 128 medium: 128 87 128 94 c25191_2mty 1 129 strong: 129 87 129 94 c25191_2mty 1 130 strong: 130 87 130 95 c25191_2mty 1 131 medium: 131 87 131 95 c25191_2mty 1 132 medium: 132 87 132 95 c25191_2mty 1 133 strong: 133 87 133 94 c25191_2mty 1 134 strong: 134 87 134 94 c25191_2mty 1 135 strong: 135 87 135 94 c25191_2mty 1 136 strong: 136 87 136 94 c25191_2mty 1 137 strong: 137 87 137 94 c25191_2mty 1 138 strong: 138 87 138 94 c25191_2mty 1 139 strong: 139 87 139 94 c25191_2mty 1 140 medium: 140 87 140 95 c25191_2mty 1 141 strong: 141 87 141 94 c25191_2mty 1 142 strong: 142 87 142 94 c25191_2mty 1 143 medium: 143 87 143 94 c25191_2mty 1 144 weak: 144 87 144 92 c25191_2mty 1 145 medium: 145 87 145 94 c25191_2mty 1 146 strong: 146 87 146 94 c25191_2mty 1 147 strong: 147 87 147 94 c25191_2mty 1 148 medium: 148 87 148 94 c25191_2mty 1 149 strong: 149 87 149 94 c25191_2mty 1 150 strong: 150 87 150 94 c25191_2mty 1 151 strong: 151 87 151 94 c25191_2mty 1 152 medium: 152 87 152 94 c25191_2mty 1 153 medium: 153 87 153 94 c25191_2mty 1 154 medium: 154 87 154 94 c25191_2mty 1 155 strong: 155 87 155 94 c25191_2mty 1 156 medium: 156 87 156 94 c25191_2mty 1 157 medium: 157 87 157 94 c25191_2mty 1 158 medium: 158 87 158 94 c25191_2mty 1 159 medium: 159 87 159 94 c25191_2mty 1 160 medium: 160 87 160 94 c25191_2mty 1 161 strong: 161 87 161 94 c25191_2mty 1 162 strong: 162 87 162 94 c25191_2mty 1 163 strong: 163 87 163 94 c25191_2mty 1 164 strong: 164 87 164 94 c25191_2mty 1 165 strong: 165 87 165 94 c25191_2mty 1 166 medium: 166 87 166 94 c25191_2mty 1 167 strong: 167 87 167 94 c25191_2mty 1 168 strong: 168 87 168 94 c25191_2mty 1 169 strong: 169 87 169 94 c25191_2mty 1 170 strong: 170 87 170 94 c25191_2mty 1 171 strong: 171 87 171 94 c25191_2mty 1 172 strong: 172 87 172 107 c25191_2mty 1 173 strong: 173 87 173 94 c25191_2mty 1 174 strong: 174 87 174 94 c25191_2mty 1 175 strong: 175 87 175 109 c25191_2mty 1 176 strong: 176 87 176 94 c25191_2mty 1 177 strong: 177 87 177 94 c25191_2mty 1 178 strong: 178 87 178 94 c25191_2mty 1 179 strong: 179 87 179 94 c25191_2mty 1 180 strong: 180 87 180 94 c25191_2mty 1 181 medium: 181 87 181 94 c25191_2mty 1 182 medium: 182 87 182 94 c25191_2mty 1 183 medium: 183 87 183 94 c25191_2mty 1 184 medium: 184 87 184 94 c25191_2mty 1 185 medium: 185 87 185 94 c25191_2mty 1 186 medium: 186 87 186 94 c25191_2mty 1 187 medium: 187 87 187 94 c25191_2mty 1 188 medium: 188 87 188 94 c25191_2mty 1 189 medium: 189 87 189 94 c25191_2mty 1 190 medium: 190 87 190 94 c25191_2mty 1 191 medium: 191 87 191 94 c25191_2mty 1 192 medium: 192 87 192 94 c25191_2mty 1 193 medium: 193 87 193 94 c25191_2mty 1 194 medium: 194 87 194 94 c25191_2mty 1 195 medium: 195 87 195 94 c25191_2mty 1 196 medium: 196 87 196 94 c25191_2mty 1 197 medium: 197 87 197 94 c25191_2mty 1 198 medium: 198 87 198 94 c25191_2mty 1 199 medium: 199 87 199 94 c25191_2mty 1 200 medium: 200 87 200 94 c25191_2mty 1 201 weak: 201 87 201 92 c25191_2mty 1 202 medium: 202 87 202 94 c25191_2mty 1 203 medium: 203 87 203 94 c25191_2mty 1 204 medium: 204 87 204 94 c25191_2mty 1 205 medium: 205 87 205 94 c25191_2mty 1 206 medium: 206 87 206 94 c25191_2mty 1 207 medium: 207 87 207 94 c25191_2mty 1 208 medium: 208 87 208 94 c25191_2mty 1 209 medium: 209 87 209 94 c25191_2mty 1 210 strong: 210 87 210 94 c25191_2mty 1 stop_ loop_ _Gen_dist_constraint_conv_err.ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_parse_file_ID _Gen_dist_constraint_conv_err.Parse_file_constraint_ID _Gen_dist_constraint_conv_err.Conv_error_type _Gen_dist_constraint_conv_err.Conv_error_note _Gen_dist_constraint_conv_err.Entry_ID _Gen_dist_constraint_conv_err.Gen_dist_constraint_list_ID 1 5 74 1 "Not handling restraint 74, item 1, resonance(s) '1.4.HE*' (nmrStar names) not linked" c25191_2mty 1 2 5 78 1 "Not handling restraint 78, item 1, resonance(s) '1.4.HE*' (nmrStar names) not linked" c25191_2mty 1 stop_ save_ save_Discover_distance_constraints_4 _Gen_dist_constraint_list.Sf_category general_distance_constraints _Gen_dist_constraint_list.Sf_framecode Discover_distance_constraints_4 _Gen_dist_constraint_list.Entry_ID c25191_2mty _Gen_dist_constraint_list.ID 1 _Gen_dist_constraint_list.Constraint_type 'hydrogen bond' _Gen_dist_constraint_list.Details 'Generated by Wattos' _Gen_dist_constraint_list.Constraint_file_ID 1 _Gen_dist_constraint_list.Block_ID 4 loop_ _Gen_dist_constraint_software.Software_ID _Gen_dist_constraint_software.Software_label _Gen_dist_constraint_software.Method_ID _Gen_dist_constraint_software.Method_label _Gen_dist_constraint_software.Entry_ID _Gen_dist_constraint_software.Gen_dist_constraint_list_ID . . . . c25191_2mty 2 stop_ loop_ _Gen_dist_constraint.ID _Gen_dist_constraint.Member_ID _Gen_dist_constraint.Member_logic_code _Gen_dist_constraint.Assembly_atom_ID_1 _Gen_dist_constraint.Entity_assembly_ID_1 _Gen_dist_constraint.Entity_ID_1 _Gen_dist_constraint.Comp_index_ID_1 _Gen_dist_constraint.Seq_ID_1 _Gen_dist_constraint.Comp_ID_1 _Gen_dist_constraint.Atom_ID_1 _Gen_dist_constraint.Atom_type_1 _Gen_dist_constraint.Atom_isotope_number_1 _Gen_dist_constraint.Resonance_ID_1 _Gen_dist_constraint.Assembly_atom_ID_2 _Gen_dist_constraint.Entity_assembly_ID_2 _Gen_dist_constraint.Entity_ID_2 _Gen_dist_constraint.Comp_index_ID_2 _Gen_dist_constraint.Seq_ID_2 _Gen_dist_constraint.Comp_ID_2 _Gen_dist_constraint.Atom_ID_2 _Gen_dist_constraint.Atom_type_2 _Gen_dist_constraint.Atom_isotope_number_2 _Gen_dist_constraint.Resonance_ID_2 _Gen_dist_constraint.Intensity_val _Gen_dist_constraint.Intensity_lower_val_err _Gen_dist_constraint.Intensity_upper_val_err _Gen_dist_constraint.Distance_val _Gen_dist_constraint.Distance_lower_bound_val _Gen_dist_constraint.Distance_upper_bound_val _Gen_dist_constraint.Contribution_fractional_val _Gen_dist_constraint.Spectral_peak_ID _Gen_dist_constraint.Spectral_peak_list_ID _Gen_dist_constraint.PDB_record_ID_1 _Gen_dist_constraint.PDB_model_num_1 _Gen_dist_constraint.PDB_strand_ID_1 _Gen_dist_constraint.PDB_ins_code_1 _Gen_dist_constraint.PDB_residue_no_1 _Gen_dist_constraint.PDB_residue_name_1 _Gen_dist_constraint.PDB_atom_name_1 _Gen_dist_constraint.PDB_record_ID_2 _Gen_dist_constraint.PDB_model_num_2 _Gen_dist_constraint.PDB_strand_ID_2 _Gen_dist_constraint.PDB_ins_code_2 _Gen_dist_constraint.PDB_residue_no_2 _Gen_dist_constraint.PDB_residue_name_2 _Gen_dist_constraint.PDB_atom_name_2 _Gen_dist_constraint.Auth_entity_assembly_ID_1 _Gen_dist_constraint.Auth_asym_ID_1 _Gen_dist_constraint.Auth_chain_ID_1 _Gen_dist_constraint.Auth_seq_ID_1 _Gen_dist_constraint.Auth_comp_ID_1 _Gen_dist_constraint.Auth_atom_ID_1 _Gen_dist_constraint.Auth_alt_ID_1 _Gen_dist_constraint.Auth_atom_name_1 _Gen_dist_constraint.Auth_entity_assembly_ID_2 _Gen_dist_constraint.Auth_asym_ID_2 _Gen_dist_constraint.Auth_chain_ID_2 _Gen_dist_constraint.Auth_seq_ID_2 _Gen_dist_constraint.Auth_comp_ID_2 _Gen_dist_constraint.Auth_atom_ID_2 _Gen_dist_constraint.Auth_alt_ID_2 _Gen_dist_constraint.Auth_atom_name_2 _Gen_dist_constraint.Entry_ID _Gen_dist_constraint.Gen_dist_constraint_list_ID 1 1 . . 1 1 15 15 PHE H H . . . 1 1 11 11 TYR O O . . . . . . 1.8 2.5 . . . . . A . 15 PHE H . . A . 11 TYR O . 1 . 15 PHE HN . . . 1 . 11 TYR O . . c25191_2mty 2 2 1 . . 1 1 13 13 SER H H . . . 1 1 9 9 SER O O . . . . . . 1.8 2.5 . . . . . A . 13 SER H . . A . 9 SER O . 1 . 13 SER HN . . . 1 . 9 SER O . . c25191_2mty 2 stop_ loop_ _Gen_dist_constraint_comment_org.ID _Gen_dist_constraint_comment_org.Comment_text _Gen_dist_constraint_comment_org.Comment_begin_line _Gen_dist_constraint_comment_org.Comment_begin_column _Gen_dist_constraint_comment_org.Comment_end_line _Gen_dist_constraint_comment_org.Comment_end_column _Gen_dist_constraint_comment_org.Entry_ID _Gen_dist_constraint_comment_org.Gen_dist_constraint_list_ID 1 distance 1 1 1 9 c25191_2mty 2 stop_ save_ save_Discover_dihedral_6 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_6 _Torsion_angle_constraint_list.Entry_ID c25191_2mty _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Details 'Generated by Wattos' _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 6 loop_ _Torsion_angle_constraint_software.Software_ID _Torsion_angle_constraint_software.Software_label _Torsion_angle_constraint_software.Method_ID _Torsion_angle_constraint_software.Method_label _Torsion_angle_constraint_software.Entry_ID _Torsion_angle_constraint_software.Torsion_angle_constraint_list_ID . . . . c25191_2mty 1 stop_ 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.Atom_type_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.Atom_type_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.Atom_type_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.Atom_type_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.PDB_record_ID_1 _Torsion_angle_constraint.PDB_model_num_1 _Torsion_angle_constraint.PDB_strand_ID_1 _Torsion_angle_constraint.PDB_ins_code_1 _Torsion_angle_constraint.PDB_residue_no_1 _Torsion_angle_constraint.PDB_residue_name_1 _Torsion_angle_constraint.PDB_atom_name_1 _Torsion_angle_constraint.PDB_record_ID_2 _Torsion_angle_constraint.PDB_model_num_2 _Torsion_angle_constraint.PDB_strand_ID_2 _Torsion_angle_constraint.PDB_ins_code_2 _Torsion_angle_constraint.PDB_residue_no_2 _Torsion_angle_constraint.PDB_residue_name_2 _Torsion_angle_constraint.PDB_atom_name_2 _Torsion_angle_constraint.PDB_record_ID_3 _Torsion_angle_constraint.PDB_model_num_3 _Torsion_angle_constraint.PDB_strand_ID_3 _Torsion_angle_constraint.PDB_ins_code_3 _Torsion_angle_constraint.PDB_residue_no_3 _Torsion_angle_constraint.PDB_residue_name_3 _Torsion_angle_constraint.PDB_atom_name_3 _Torsion_angle_constraint.PDB_record_ID_4 _Torsion_angle_constraint.PDB_model_num_4 _Torsion_angle_constraint.PDB_strand_ID_4 _Torsion_angle_constraint.PDB_ins_code_4 _Torsion_angle_constraint.PDB_residue_no_4 _Torsion_angle_constraint.PDB_residue_name_4 _Torsion_angle_constraint.PDB_atom_name_4 _Torsion_angle_constraint.Auth_entity_assembly_ID_1 _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_chain_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_alt_ID_1 _Torsion_angle_constraint.Auth_atom_name_1 _Torsion_angle_constraint.Auth_entity_assembly_ID_2 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_chain_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_alt_ID_2 _Torsion_angle_constraint.Auth_atom_name_2 _Torsion_angle_constraint.Auth_entity_assembly_ID_3 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_chain_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_alt_ID_3 _Torsion_angle_constraint.Auth_atom_name_3 _Torsion_angle_constraint.Auth_entity_assembly_ID_4 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_chain_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.Auth_alt_ID_4 _Torsion_angle_constraint.Auth_atom_name_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . 1 1 2 2 ILE CA C . . 1 1 2 2 ILE C C . . 1 1 3 3 LYS N N . . 1 1 3 3 LYS CA C . 178.0 180.0 . . . A . 2 ILE CA . . A . 2 ILE C . . A . 3 LYS N . . A . 3 LYS CA . 1 . 2 ILE CA . . . 1 . 2 ILE C . . . 1 . 3 LYS N . . . 1 . 3 LYS CA . . c25191_2mty 1 2 . . 1 1 3 3 LYS CA C . . 1 1 3 3 LYS C C . . 1 1 4 4 HIS N N . . 1 1 4 4 HIS CA C . 178.0 180.0 . . . A . 3 LYS CA . . A . 3 LYS C . . A . 4 HIS N . . A . 4 HIS CA . 1 . 3 LYS CA . . . 1 . 3 LYS C . . . 1 . 4 HIS N . . . 1 . 4 HIS CA . . c25191_2mty 1 3 . . 1 1 4 4 HIS CA C . . 1 1 4 4 HIS C C . . 1 1 5 5 ASN N N . . 1 1 5 5 ASN CA C . 178.0 180.0 . . . A . 4 HIS CA . . A . 4 HIS C . . A . 5 ASN N . . A . 5 ASN CA . 1 . 4 HIS CA . . . 1 . 4 HIS C . . . 1 . 5 ASN N . . . 1 . 5 ASN CA . . c25191_2mty 1 4 . . 1 1 5 5 ASN CA C . . 1 1 5 5 ASN C C . . 1 1 6 6 ARG N N . . 1 1 6 6 ARG CA C . 178.0 180.0 . . . A . 5 ASN CA . . A . 5 ASN C . . A . 6 ARG N . . A . 6 ARG CA . 1 . 5 ASN CA . . . 1 . 5 ASN C . . . 1 . 6 ARG N . . . 1 . 6 ARG CA . . c25191_2mty 1 5 . . 1 1 6 6 ARG CA C . . 1 1 6 6 ARG C C . . 1 1 7 7 PHE N N . . 1 1 7 7 PHE CA C . 178.0 180.0 . . . A . 6 ARG CA . . A . 6 ARG C . . A . 7 PHE N . . A . 7 PHE CA . 1 . 6 ARG CA . . . 1 . 6 ARG C . . . 1 . 7 PHE N . . . 1 . 7 PHE CA . . c25191_2mty 1 6 . . 1 1 7 7 PHE CA C . . 1 1 7 7 PHE C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . 178.0 180.0 . . . A . 7 PHE CA . . A . 7 PHE C . . A . 8 LEU N . . A . 8 LEU CA . 1 . 7 PHE CA . . . 1 . 7 PHE C . . . 1 . 8 LEU N . . . 1 . 8 LEU CA . . c25191_2mty 1 7 . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . . 1 1 9 9 SER N N . . 1 1 9 9 SER CA C . 178.0 180.0 . . . A . 8 LEU CA . . A . 8 LEU C . . A . 9 SER N . . A . 9 SER CA . 1 . 8 LEU CA . . . 1 . 8 LEU C . . . 1 . 9 SER N . . . 1 . 9 SER CA . . c25191_2mty 1 8 . . 1 1 9 9 SER CA C . . 1 1 9 9 SER C C . . 1 1 10 10 GLU N N . . 1 1 10 10 GLU CA C . 178.0 180.0 . . . A . 9 SER CA . . A . 9 SER C . . A . 10 GLU N . . A . 10 GLU CA . 1 . 9 SER CA . . . 1 . 9 SER C . . . 1 . 10 GLU N . . . 1 . 10 GLU CA . . c25191_2mty 1 9 . . 1 1 10 10 GLU CA C . . 1 1 10 10 GLU C C . . 1 1 11 11 TYR N N . . 1 1 11 11 TYR CA C . 178.0 180.0 . . . A . 10 GLU CA . . A . 10 GLU C . . A . 11 TYR N . . A . 11 TYR CA . 1 . 10 GLU CA . . . 1 . 10 GLU C . . . 1 . 11 TYR N . . . 1 . 11 TYR CA . . c25191_2mty 1 10 . . 1 1 11 11 TYR CA C . . 1 1 11 11 TYR C C . . 1 1 12 12 GLN N N . . 1 1 12 12 GLN CA C . 178.0 180.0 . . . A . 11 TYR CA . . A . 11 TYR C . . A . 12 GLN N . . A . 12 GLN CA . 1 . 11 TYR CA . . . 1 . 11 TYR C . . . 1 . 12 GLN N . . . 1 . 12 GLN CA . . c25191_2mty 1 11 . . 1 1 12 12 GLN CA C . . 1 1 12 12 GLN C C . . 1 1 13 13 SER N N . . 1 1 13 13 SER CA C . 178.0 180.0 . . . A . 12 GLN CA . . A . 12 GLN C . . A . 13 SER N . . A . 13 SER CA . 1 . 12 GLN CA . . . 1 . 12 GLN C . . . 1 . 13 SER N . . . 1 . 13 SER CA . . c25191_2mty 1 12 . . 1 1 13 13 SER CA C . . 1 1 13 13 SER C C . . 1 1 14 14 ASN N N . . 1 1 14 14 ASN CA C . 178.0 180.0 . . . A . 13 SER CA . . A . 13 SER C . . A . 14 ASN N . . A . 14 ASN CA . 1 . 13 SER CA . . . 1 . 13 SER C . . . 1 . 14 ASN N . . . 1 . 14 ASN CA . . c25191_2mty 1 13 . . 1 1 14 14 ASN CA C . . 1 1 14 14 ASN C C . . 1 1 15 15 PHE N N . . 1 1 15 15 PHE CA C . 178.0 180.0 . . . A . 14 ASN CA . . A . 14 ASN C . . A . 15 PHE N . . A . 15 PHE CA . 1 . 14 ASN CA . . . 1 . 14 ASN C . . . 1 . 15 PHE N . . . 1 . 15 PHE CA . . c25191_2mty 1 14 . . 1 1 15 15 PHE CA C . . 1 1 15 15 PHE C C . . 1 1 16 16 LEU N N . . 1 1 16 16 LEU CA C . 178.0 180.0 . . . A . 15 PHE CA . . A . 15 PHE C . . A . 16 LEU N . . A . 16 LEU CA . 1 . 15 PHE CA . . . 1 . 15 PHE C . . . 1 . 16 LEU N . . . 1 . 16 LEU CA . . c25191_2mty 1 15 . . 1 1 16 16 LEU CA C . . 1 1 16 16 LEU C C . . 1 1 17 17 GLY N N . . 1 1 17 17 GLY CA C . 178.0 180.0 . . . A . 16 LEU CA . . A . 16 LEU C . . A . 17 GLY N . . A . 17 GLY CA . 1 . 16 LEU CA . . . 1 . 16 LEU C . . . 1 . 17 GLY N . . . 1 . 17 GLY CA . . c25191_2mty 1 16 . . 1 1 17 17 GLY CA C . . 1 1 17 17 GLY C C . . 1 1 18 18 GLY N N . . 1 1 18 18 GLY CA C . 178.0 180.0 . . . A . 17 GLY CA . . A . 17 GLY C . . A . 18 GLY N . . A . 18 GLY CA . 1 . 17 GLY CA . . . 1 . 17 GLY C . . . 1 . 18 GLY N . . . 1 . 18 GLY CA . . c25191_2mty 1 17 . . 1 1 18 18 GLY CA C . . 1 1 18 18 GLY C C . . 1 1 19 19 GLY N N . . 1 1 19 19 GLY CA C . 178.0 180.0 . . . A . 18 GLY CA . . A . 18 GLY C . . A . 19 GLY N . . A . 19 GLY CA . 1 . 18 GLY CA . . . 1 . 18 GLY C . . . 1 . 19 GLY N . . . 1 . 19 GLY CA . . c25191_2mty 1 18 . . 1 1 19 19 GLY CA C . . 1 1 19 19 GLY C C . . 1 1 20 20 TYR N N . . 1 1 20 20 TYR CA C . 178.0 180.0 . . . A . 19 GLY CA . . A . 19 GLY C . . A . 20 TYR N . . A . 20 TYR CA . 1 . 19 GLY CA . . . 1 . 19 GLY C . . . 1 . 20 TYR N . . . 1 . 20 TYR CA . . c25191_2mty 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 NMR_dihedral 1 1 1 13 c25191_2mty 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_framecode MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID c25191_2mty _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 PEPTIDE BINDING 01-SEP-14 2MTY *TITLE 3D STRUCTURE DETERMINATION OF STARP PEPTIDES IMPLICATED IN P. *TITLE 2 FALCIPARUM INVASION OF HEPATIC CELLS *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: STARP ANTIGEN; *COMPND 3 CHAIN: A; *COMPND 4 FRAGMENT: UNP RESIDUES 41-60; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; *SOURCE 4 ORGANISM_TAXID: 5833 *KEYWDS STARP, SPOROZOITE, MALARIA VACCINE, PEPTIDE BINDING *EXPDTA SOLUTION NMR *NUMMDL 1 *AUTHOR A.BERMUDEZ, M.P.ALBA, M.VANEGAS, M.E.PATARROYO *REVDAT 1 17-DEC-14 2MTY 0' save_