data_c25200_2mu6 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID c25200_2mu6 _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 2014-09-04 _Entry.Accession_date 2014-09-04 _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 . . . c25200_2mu6 2 Alba Martha . . . c25200_2mu6 3 Vanegas Magnolia . . . c25200_2mu6 4 Patarroyo 'Manuel E.' . . . c25200_2mu6 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' . c25200_2mu6 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Structure . c25200_2mu6 Peptide . c25200_2mu6 STARP . c25200_2mu6 Sporozoite . c25200_2mu6 'Malaria Vaccine' . c25200_2mu6 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 c25200_2mu6 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 153 c25200_2mu6 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 2014-09-04 original author . c25200_2mu6 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MU6 'BMRB Entry Tracking System' c25200_2mu6 BMRB 25191 'STARP peptide 20546' c25200_2mu6 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID c25200_2mu6 _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 31 _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. . . c25200_2mu6 1 2 'Martha Patricia' Alba M. P. . c25200_2mu6 1 3 Magnolia Vanegas M. . . c25200_2mu6 1 4 'Manuel Elkin' Patarroyo M. E. . c25200_2mu6 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID c25200_2mu6 _Assembly.ID 1 _Assembly.Name 'STARP peptide 20570' _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 . . . c25200_2mu6 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID c25200_2mu6 _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 KSMINAYLDKLDLETVRKIH _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 2392.855 _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 3.23e-04 . . . . c25200_2mu6 1 2 no EMBL CAA82996 . 'STARP antigen [Plasmodium reichenowi]' . . . . . 100.00 655 100.00 100.00 2.88e-04 . . . . c25200_2mu6 1 3 no EMBL CAD50796 . 'STARP antigen [Plasmodium falciparum 3D7]' . . . . . 100.00 594 100.00 100.00 3.33e-04 . . . . c25200_2mu6 1 4 no EMBL CDO63500 . 'sporozoite threonine and asparagine-rich protein [Plasmodium reichenowi]' . . . . . 100.00 564 100.00 100.00 4.30e-04 . . . . c25200_2mu6 1 5 no GB AAF21035 . 'STARP antigen [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 4.41e-04 . . . . c25200_2mu6 1 6 no GB ABZ79507 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 4.04e-04 . . . . c25200_2mu6 1 7 no GB ABZ79508 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 4.04e-04 . . . . c25200_2mu6 1 8 no GB ABZ79509 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 4.04e-04 . . . . c25200_2mu6 1 9 no GB ABZ79510 . 'sporozoite threonine-asparagine-rich protein [Plasmodium falciparum]' . . . . . 100.00 559 100.00 100.00 4.04e-04 . . . . c25200_2mu6 1 10 no REF XP_001348958 . 'STARP antigen [Plasmodium falciparum 3D7]' . . . . . 100.00 594 100.00 100.00 3.33e-04 . . . . c25200_2mu6 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 LYS . c25200_2mu6 1 2 2 SER . c25200_2mu6 1 3 3 MET . c25200_2mu6 1 4 4 ILE . c25200_2mu6 1 5 5 ASN . c25200_2mu6 1 6 6 ALA . c25200_2mu6 1 7 7 TYR . c25200_2mu6 1 8 8 LEU . c25200_2mu6 1 9 9 ASP . c25200_2mu6 1 10 10 LYS . c25200_2mu6 1 11 11 LEU . c25200_2mu6 1 12 12 ASP . c25200_2mu6 1 13 13 LEU . c25200_2mu6 1 14 14 GLU . c25200_2mu6 1 15 15 THR . c25200_2mu6 1 16 16 VAL . c25200_2mu6 1 17 17 ARG . c25200_2mu6 1 18 18 LYS . c25200_2mu6 1 19 19 ILE . c25200_2mu6 1 20 20 HIS . c25200_2mu6 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 . LYS 1 1 c25200_2mu6 1 . SER 2 2 c25200_2mu6 1 . MET 3 3 c25200_2mu6 1 . ILE 4 4 c25200_2mu6 1 . ASN 5 5 c25200_2mu6 1 . ALA 6 6 c25200_2mu6 1 . TYR 7 7 c25200_2mu6 1 . LEU 8 8 c25200_2mu6 1 . ASP 9 9 c25200_2mu6 1 . LYS 10 10 c25200_2mu6 1 . LEU 11 11 c25200_2mu6 1 . ASP 12 12 c25200_2mu6 1 . LEU 13 13 c25200_2mu6 1 . GLU 14 14 c25200_2mu6 1 . THR 15 15 c25200_2mu6 1 . VAL 16 16 c25200_2mu6 1 . ARG 17 17 c25200_2mu6 1 . LYS 18 18 c25200_2mu6 1 . ILE 19 19 c25200_2mu6 1 . HIS 20 20 c25200_2mu6 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 c25200_2mu6 _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 . . . . . . . . . . . . . . . . . . . . . c25200_2mu6 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 c25200_2mu6 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . c25200_2mu6 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID c25200_2mu6 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/trifluoroethanol _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 9 mM . . . . c25200_2mu6 1 2 trifluoroethanol 'natural abundance' . . . . . . 30 . . % . . . . c25200_2mu6 1 3 trifluoroethanol 'natural abundance' . . . . . . 70 . . % . . . . c25200_2mu6 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 c25200_2mu6 _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 c25200_2mu6 1 pH 3.7 . pH c25200_2mu6 1 pressure 1 . atm c25200_2mu6 1 stop_ save_ ############################ # Computer software used # ############################ save_InsightII _Software.Sf_category software _Software.Sf_framecode InsightII _Software.Entry_ID c25200_2mu6 _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.' . . c25200_2mu6 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' c25200_2mu6 1 refinement c25200_2mu6 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 c25200_2mu6 _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 c25200_2mu6 _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 . . . c25200_2mu6 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 c25200_2mu6 _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 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25200_2mu6 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25200_2mu6 1 3 '2D DQF-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . c25200_2mu6 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 c25200_2mu6 _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 . . . . . . . . . c25200_2mu6 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . c25200_2mu6 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . c25200_2mu6 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . c25200_2mu6 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 c25200_2mu6 _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 2 '2D 1H-1H TOCSY' . . . c25200_2mu6 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 LYS H H 1 7.750 0.02 . 1 . . . . 1 LYS H . c25200_2mu6 1 2 . 1 1 1 1 LYS HA H 1 3.960 0.02 . 1 . . . . 1 LYS HA . c25200_2mu6 1 3 . 1 1 1 1 LYS HB2 H 1 1.890 0.02 . 1 . . . . 1 LYS HB2 . c25200_2mu6 1 4 . 1 1 1 1 LYS HB3 H 1 1.890 0.02 . 1 . . . . 1 LYS HB3 . c25200_2mu6 1 5 . 1 1 1 1 LYS HG2 H 1 1.340 0.02 . 1 . . . . 1 LYS HG2 . c25200_2mu6 1 6 . 1 1 1 1 LYS HG3 H 1 1.340 0.02 . 1 . . . . 1 LYS HG3 . c25200_2mu6 1 7 . 1 1 1 1 LYS HD2 H 1 1.620 0.02 . 1 . . . . 1 LYS HD2 . c25200_2mu6 1 8 . 1 1 1 1 LYS HD3 H 1 1.620 0.02 . 1 . . . . 1 LYS HD3 . c25200_2mu6 1 9 . 1 1 1 1 LYS HE2 H 1 3.100 0.02 . 1 . . . . 1 LYS HE2 . c25200_2mu6 1 10 . 1 1 1 1 LYS HE3 H 1 3.100 0.02 . 1 . . . . 1 LYS HE3 . c25200_2mu6 1 11 . 1 1 2 2 SER H H 1 8.290 0.02 . 1 . . . . 2 SER H . c25200_2mu6 1 12 . 1 1 2 2 SER HA H 1 4.330 0.02 . 1 . . . . 2 SER HA . c25200_2mu6 1 13 . 1 1 2 2 SER HB2 H 1 3.900 0.02 . 2 . . . . 2 SER HB2 . c25200_2mu6 1 14 . 1 1 2 2 SER HB3 H 1 3.860 0.02 . 2 . . . . 2 SER HB3 . c25200_2mu6 1 15 . 1 1 3 3 MET H H 1 8.050 0.02 . 1 . . . . 3 MET H . c25200_2mu6 1 16 . 1 1 3 3 MET HA H 1 4.350 0.02 . 1 . . . . 3 MET HA . c25200_2mu6 1 17 . 1 1 3 3 MET HB2 H 1 2.080 0.02 . 1 . . . . 3 MET HB2 . c25200_2mu6 1 18 . 1 1 3 3 MET HB3 H 1 2.080 0.02 . 1 . . . . 3 MET HB3 . c25200_2mu6 1 19 . 1 1 3 3 MET HG2 H 1 2.550 0.02 . 1 . . . . 3 MET HG2 . c25200_2mu6 1 20 . 1 1 3 3 MET HG3 H 1 2.550 0.02 . 1 . . . . 3 MET HG3 . c25200_2mu6 1 21 . 1 1 4 4 ILE H H 1 7.820 0.02 . 1 . . . . 4 ILE H . c25200_2mu6 1 22 . 1 1 4 4 ILE HA H 1 3.880 0.02 . 1 . . . . 4 ILE HA . c25200_2mu6 1 23 . 1 1 4 4 ILE HB H 1 1.820 0.02 . 1 . . . . 4 ILE HB . c25200_2mu6 1 24 . 1 1 4 4 ILE HG12 H 1 0.890 0.02 . 1 . . . . 4 ILE HG12 . c25200_2mu6 1 25 . 1 1 4 4 ILE HG13 H 1 0.890 0.02 . 1 . . . . 4 ILE HG13 . c25200_2mu6 1 26 . 1 1 4 4 ILE HG21 H 1 0.890 0.02 . 1 . . . . 4 ILE HG2 . c25200_2mu6 1 27 . 1 1 4 4 ILE HG22 H 1 0.890 0.02 . 1 . . . . 4 ILE HG2 . c25200_2mu6 1 28 . 1 1 4 4 ILE HG23 H 1 0.890 0.02 . 1 . . . . 4 ILE HG2 . c25200_2mu6 1 29 . 1 1 5 5 ASN H H 1 8.510 0.02 . 1 . . . . 5 ASN H . c25200_2mu6 1 30 . 1 1 5 5 ASN HA H 1 4.370 0.02 . 1 . . . . 5 ASN HA . c25200_2mu6 1 31 . 1 1 5 5 ASN HB2 H 1 3.040 0.02 . 2 . . . . 5 ASN HB2 . c25200_2mu6 1 32 . 1 1 5 5 ASN HB3 H 1 2.820 0.02 . 2 . . . . 5 ASN HB3 . c25200_2mu6 1 33 . 1 1 5 5 ASN HD21 H 1 7.520 0.02 . 2 . . . . 5 ASN HD21 . c25200_2mu6 1 34 . 1 1 5 5 ASN HD22 H 1 6.830 0.02 . 2 . . . . 5 ASN HD22 . c25200_2mu6 1 35 . 1 1 6 6 ALA H H 1 7.780 0.02 . 1 . . . . 6 ALA H . c25200_2mu6 1 36 . 1 1 6 6 ALA HA H 1 4.090 0.02 . 1 . . . . 6 ALA HA . c25200_2mu6 1 37 . 1 1 6 6 ALA HB1 H 1 1.440 0.02 . 1 . . . . 6 ALA HB . c25200_2mu6 1 38 . 1 1 6 6 ALA HB2 H 1 1.440 0.02 . 1 . . . . 6 ALA HB . c25200_2mu6 1 39 . 1 1 6 6 ALA HB3 H 1 1.440 0.02 . 1 . . . . 6 ALA HB . c25200_2mu6 1 40 . 1 1 7 7 TYR H H 1 7.970 0.02 . 1 . . . . 7 TYR H . c25200_2mu6 1 41 . 1 1 7 7 TYR HA H 1 4.210 0.02 . 1 . . . . 7 TYR HA . c25200_2mu6 1 42 . 1 1 7 7 TYR HB2 H 1 3.290 0.02 . 2 . . . . 7 TYR HB2 . c25200_2mu6 1 43 . 1 1 7 7 TYR HB3 H 1 3.130 0.02 . 2 . . . . 7 TYR HB3 . c25200_2mu6 1 44 . 1 1 7 7 TYR HD1 H 1 7.300 0.02 . 1 . . . . 7 TYR HD1 . c25200_2mu6 1 45 . 1 1 7 7 TYR HD2 H 1 7.300 0.02 . 1 . . . . 7 TYR HD2 . c25200_2mu6 1 46 . 1 1 7 7 TYR HE1 H 1 7.400 0.02 . 1 . . . . 7 TYR HE1 . c25200_2mu6 1 47 . 1 1 7 7 TYR HE2 H 1 7.400 0.02 . 1 . . . . 7 TYR HE2 . c25200_2mu6 1 48 . 1 1 8 8 LEU H H 1 8.030 0.02 . 1 . . . . 8 LEU H . c25200_2mu6 1 49 . 1 1 8 8 LEU HA H 1 3.850 0.02 . 1 . . . . 8 LEU HA . c25200_2mu6 1 50 . 1 1 8 8 LEU HB2 H 1 1.700 0.02 . 1 . . . . 8 LEU HB2 . c25200_2mu6 1 51 . 1 1 8 8 LEU HB3 H 1 1.700 0.02 . 1 . . . . 8 LEU HB3 . c25200_2mu6 1 52 . 1 1 8 8 LEU HG H 1 1.540 0.02 . 1 . . . . 8 LEU HG . c25200_2mu6 1 53 . 1 1 8 8 LEU HD11 H 1 0.700 0.02 . 1 . . . . 8 LEU HD1 . c25200_2mu6 1 54 . 1 1 8 8 LEU HD12 H 1 0.700 0.02 . 1 . . . . 8 LEU HD1 . c25200_2mu6 1 55 . 1 1 8 8 LEU HD13 H 1 0.700 0.02 . 1 . . . . 8 LEU HD1 . c25200_2mu6 1 56 . 1 1 8 8 LEU HD21 H 1 0.700 0.02 . 1 . . . . 8 LEU HD2 . c25200_2mu6 1 57 . 1 1 8 8 LEU HD22 H 1 0.700 0.02 . 1 . . . . 8 LEU HD2 . c25200_2mu6 1 58 . 1 1 8 8 LEU HD23 H 1 0.700 0.02 . 1 . . . . 8 LEU HD2 . c25200_2mu6 1 59 . 1 1 9 9 ASP H H 1 8.220 0.02 . 1 . . . . 9 ASP H . c25200_2mu6 1 60 . 1 1 9 9 ASP HA H 1 4.410 0.02 . 1 . . . . 9 ASP HA . c25200_2mu6 1 61 . 1 1 9 9 ASP HB2 H 1 2.990 0.02 . 2 . . . . 9 ASP HB2 . c25200_2mu6 1 62 . 1 1 9 9 ASP HB3 H 1 2.750 0.02 . 2 . . . . 9 ASP HB3 . c25200_2mu6 1 63 . 1 1 10 10 LYS H H 1 8.110 0.02 . 1 . . . . 10 LYS H . c25200_2mu6 1 64 . 1 1 10 10 LYS HA H 1 3.990 0.02 . 1 . . . . 10 LYS HA . c25200_2mu6 1 65 . 1 1 10 10 LYS HB2 H 1 1.880 0.02 . 2 . . . . 10 LYS HB2 . c25200_2mu6 1 66 . 1 1 10 10 LYS HB3 H 1 1.750 0.02 . 2 . . . . 10 LYS HB3 . c25200_2mu6 1 67 . 1 1 10 10 LYS HG2 H 1 1.580 0.02 . 1 . . . . 10 LYS HG2 . c25200_2mu6 1 68 . 1 1 10 10 LYS HG3 H 1 1.580 0.02 . 1 . . . . 10 LYS HG3 . c25200_2mu6 1 69 . 1 1 10 10 LYS HD2 H 1 1.710 0.02 . 1 . . . . 10 LYS HD2 . c25200_2mu6 1 70 . 1 1 10 10 LYS HD3 H 1 1.710 0.02 . 1 . . . . 10 LYS HD3 . c25200_2mu6 1 71 . 1 1 10 10 LYS HE2 H 1 3.100 0.02 . 1 . . . . 10 LYS HE2 . c25200_2mu6 1 72 . 1 1 10 10 LYS HE3 H 1 3.100 0.02 . 1 . . . . 10 LYS HE3 . c25200_2mu6 1 73 . 1 1 11 11 LEU H H 1 8.220 0.02 . 1 . . . . 11 LEU H . c25200_2mu6 1 74 . 1 1 11 11 LEU HA H 1 4.110 0.02 . 1 . . . . 11 LEU HA . c25200_2mu6 1 75 . 1 1 11 11 LEU HB2 H 1 1.590 0.02 . 2 . . . . 11 LEU HB2 . c25200_2mu6 1 76 . 1 1 11 11 LEU HB3 H 1 1.530 0.02 . 2 . . . . 11 LEU HB3 . c25200_2mu6 1 77 . 1 1 11 11 LEU HG H 1 1.580 0.02 . 1 . . . . 11 LEU HG . c25200_2mu6 1 78 . 1 1 11 11 LEU HD11 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . c25200_2mu6 1 79 . 1 1 11 11 LEU HD12 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . c25200_2mu6 1 80 . 1 1 11 11 LEU HD13 H 1 0.850 0.02 . 1 . . . . 11 LEU HD1 . c25200_2mu6 1 81 . 1 1 11 11 LEU HD21 H 1 0.850 0.02 . 1 . . . . 11 LEU HD2 . c25200_2mu6 1 82 . 1 1 11 11 LEU HD22 H 1 0.850 0.02 . 1 . . . . 11 LEU HD2 . c25200_2mu6 1 83 . 1 1 11 11 LEU HD23 H 1 0.850 0.02 . 1 . . . . 11 LEU HD2 . c25200_2mu6 1 84 . 1 1 12 12 ASP H H 1 8.030 0.02 . 1 . . . . 12 ASP H . c25200_2mu6 1 85 . 1 1 12 12 ASP HA H 1 4.400 0.02 . 1 . . . . 12 ASP HA . c25200_2mu6 1 86 . 1 1 12 12 ASP HB2 H 1 2.780 0.02 . 1 . . . . 12 ASP HB2 . c25200_2mu6 1 87 . 1 1 12 12 ASP HB3 H 1 2.780 0.02 . 1 . . . . 12 ASP HB3 . c25200_2mu6 1 88 . 1 1 13 13 LEU H H 1 8.150 0.02 . 1 . . . . 13 LEU H . c25200_2mu6 1 89 . 1 1 13 13 LEU HA H 1 4.280 0.02 . 1 . . . . 13 LEU HA . c25200_2mu6 1 90 . 1 1 13 13 LEU HB2 H 1 1.520 0.02 . 2 . . . . 13 LEU HB2 . c25200_2mu6 1 91 . 1 1 13 13 LEU HB3 H 1 1.580 0.02 . 2 . . . . 13 LEU HB3 . c25200_2mu6 1 92 . 1 1 13 13 LEU HG H 1 1.600 0.02 . 1 . . . . 13 LEU HG . c25200_2mu6 1 93 . 1 1 13 13 LEU HD11 H 1 0.880 0.02 . 1 . . . . 13 LEU HD1 . c25200_2mu6 1 94 . 1 1 13 13 LEU HD12 H 1 0.880 0.02 . 1 . . . . 13 LEU HD1 . c25200_2mu6 1 95 . 1 1 13 13 LEU HD13 H 1 0.880 0.02 . 1 . . . . 13 LEU HD1 . c25200_2mu6 1 96 . 1 1 13 13 LEU HD21 H 1 0.880 0.02 . 1 . . . . 13 LEU HD2 . c25200_2mu6 1 97 . 1 1 13 13 LEU HD22 H 1 0.880 0.02 . 1 . . . . 13 LEU HD2 . c25200_2mu6 1 98 . 1 1 13 13 LEU HD23 H 1 0.880 0.02 . 1 . . . . 13 LEU HD2 . c25200_2mu6 1 99 . 1 1 14 14 GLU H H 1 8.200 0.02 . 1 . . . . 14 GLU H . c25200_2mu6 1 100 . 1 1 14 14 GLU HA H 1 4.090 0.02 . 1 . . . . 14 GLU HA . c25200_2mu6 1 101 . 1 1 14 14 GLU HB2 H 1 1.790 0.02 . 1 . . . . 14 GLU HB2 . c25200_2mu6 1 102 . 1 1 14 14 GLU HB3 H 1 1.790 0.02 . 1 . . . . 14 GLU HB3 . c25200_2mu6 1 103 . 1 1 14 14 GLU HG2 H 1 2.330 0.02 . 1 . . . . 14 GLU HG2 . c25200_2mu6 1 104 . 1 1 14 14 GLU HG3 H 1 2.330 0.02 . 1 . . . . 14 GLU HG3 . c25200_2mu6 1 105 . 1 1 15 15 THR H H 1 8.020 0.02 . 1 . . . . 15 THR H . c25200_2mu6 1 106 . 1 1 15 15 THR HA H 1 4.070 0.02 . 1 . . . . 15 THR HA . c25200_2mu6 1 107 . 1 1 15 15 THR HB H 1 3.850 0.02 . 1 . . . . 15 THR HB . c25200_2mu6 1 108 . 1 1 15 15 THR HG21 H 1 1.170 0.02 . 1 . . . . 15 THR HG . c25200_2mu6 1 109 . 1 1 15 15 THR HG22 H 1 1.170 0.02 . 1 . . . . 15 THR HG . c25200_2mu6 1 110 . 1 1 15 15 THR HG23 H 1 1.170 0.02 . 1 . . . . 15 THR HG . c25200_2mu6 1 111 . 1 1 16 16 VAL H H 1 8.150 0.02 . 1 . . . . 16 VAL H . c25200_2mu6 1 112 . 1 1 16 16 VAL HA H 1 4.200 0.02 . 1 . . . . 16 VAL HA . c25200_2mu6 1 113 . 1 1 16 16 VAL HB H 1 2.130 0.02 . 1 . . . . 16 VAL HB . c25200_2mu6 1 114 . 1 1 16 16 VAL HG11 H 1 0.900 0.02 . 2 . . . . 16 VAL HG1 . c25200_2mu6 1 115 . 1 1 16 16 VAL HG12 H 1 0.900 0.02 . 2 . . . . 16 VAL HG1 . c25200_2mu6 1 116 . 1 1 16 16 VAL HG13 H 1 0.900 0.02 . 2 . . . . 16 VAL HG1 . c25200_2mu6 1 117 . 1 1 16 16 VAL HG21 H 1 0.850 0.02 . 2 . . . . 16 VAL HG2 . c25200_2mu6 1 118 . 1 1 16 16 VAL HG22 H 1 0.850 0.02 . 2 . . . . 16 VAL HG2 . c25200_2mu6 1 119 . 1 1 16 16 VAL HG23 H 1 0.850 0.02 . 2 . . . . 16 VAL HG2 . c25200_2mu6 1 120 . 1 1 17 17 ARG H H 1 8.290 0.02 . 1 . . . . 17 ARG H . c25200_2mu6 1 121 . 1 1 17 17 ARG HA H 1 4.320 0.02 . 1 . . . . 17 ARG HA . c25200_2mu6 1 122 . 1 1 17 17 ARG HB2 H 1 1.850 0.02 . 1 . . . . 17 ARG HB2 . c25200_2mu6 1 123 . 1 1 17 17 ARG HB3 H 1 1.850 0.02 . 1 . . . . 17 ARG HB3 . c25200_2mu6 1 124 . 1 1 17 17 ARG HG2 H 1 1.620 0.02 . 1 . . . . 17 ARG HG2 . c25200_2mu6 1 125 . 1 1 17 17 ARG HG3 H 1 1.620 0.02 . 1 . . . . 17 ARG HG3 . c25200_2mu6 1 126 . 1 1 17 17 ARG HD2 H 1 3.250 0.02 . 1 . . . . 17 ARG HD2 . c25200_2mu6 1 127 . 1 1 17 17 ARG HD3 H 1 3.250 0.02 . 1 . . . . 17 ARG HD3 . c25200_2mu6 1 128 . 1 1 17 17 ARG HH11 H 1 7.250 0.02 . 1 . . . . 17 ARG HH11 . c25200_2mu6 1 129 . 1 1 17 17 ARG HH12 H 1 7.250 0.02 . 1 . . . . 17 ARG HH12 . c25200_2mu6 1 130 . 1 1 18 18 LYS H H 1 8.950 0.02 . 1 . . . . 18 LYS H . c25200_2mu6 1 131 . 1 1 18 18 LYS HA H 1 3.950 0.02 . 1 . . . . 18 LYS HA . c25200_2mu6 1 132 . 1 1 18 18 LYS HB2 H 1 1.820 0.02 . 1 . . . . 18 LYS HB2 . c25200_2mu6 1 133 . 1 1 18 18 LYS HB3 H 1 1.820 0.02 . 1 . . . . 18 LYS HB3 . c25200_2mu6 1 134 . 1 1 18 18 LYS HG2 H 1 1.470 0.02 . 1 . . . . 18 LYS HG2 . c25200_2mu6 1 135 . 1 1 18 18 LYS HG3 H 1 1.470 0.02 . 1 . . . . 18 LYS HG3 . c25200_2mu6 1 136 . 1 1 18 18 LYS HD2 H 1 1.750 0.02 . 1 . . . . 18 LYS HD2 . c25200_2mu6 1 137 . 1 1 18 18 LYS HD3 H 1 1.750 0.02 . 1 . . . . 18 LYS HD3 . c25200_2mu6 1 138 . 1 1 18 18 LYS HE2 H 1 3.080 0.02 . 1 . . . . 18 LYS HE2 . c25200_2mu6 1 139 . 1 1 18 18 LYS HE3 H 1 3.080 0.02 . 1 . . . . 18 LYS HE3 . c25200_2mu6 1 140 . 1 1 19 19 ILE H H 1 8.220 0.02 . 1 . . . . 19 ILE H . c25200_2mu6 1 141 . 1 1 19 19 ILE HA H 1 4.050 0.02 . 1 . . . . 19 ILE HA . c25200_2mu6 1 142 . 1 1 19 19 ILE HB H 1 1.870 0.02 . 1 . . . . 19 ILE HB . c25200_2mu6 1 143 . 1 1 19 19 ILE HG12 H 1 0.850 0.02 . 1 . . . . 19 ILE HG12 . c25200_2mu6 1 144 . 1 1 19 19 ILE HG13 H 1 0.850 0.02 . 1 . . . . 19 ILE HG13 . c25200_2mu6 1 145 . 1 1 19 19 ILE HG21 H 1 0.850 0.02 . 1 . . . . 19 ILE HG2 . c25200_2mu6 1 146 . 1 1 19 19 ILE HG22 H 1 0.850 0.02 . 1 . . . . 19 ILE HG2 . c25200_2mu6 1 147 . 1 1 19 19 ILE HG23 H 1 0.850 0.02 . 1 . . . . 19 ILE HG2 . c25200_2mu6 1 148 . 1 1 20 20 HIS H H 1 8.000 0.02 . 1 . . . . 20 HIS H . c25200_2mu6 1 149 . 1 1 20 20 HIS HA H 1 4.490 0.02 . 1 . . . . 20 HIS HA . c25200_2mu6 1 150 . 1 1 20 20 HIS HB2 H 1 3.330 0.02 . 2 . . . . 20 HIS HB2 . c25200_2mu6 1 151 . 1 1 20 20 HIS HB3 H 1 3.070 0.02 . 2 . . . . 20 HIS HB3 . c25200_2mu6 1 152 . 1 1 20 20 HIS HD2 H 1 7.000 0.02 . 1 . . . . 20 HIS HD2 . c25200_2mu6 1 153 . 1 1 20 20 HIS HE2 H 1 8.200 0.02 . 1 . . . . 20 HIS HE2 . c25200_2mu6 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 c25200_2mu6 _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 c25200_2mu6 _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 . . . c25200_2mu6 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 . . . . c25200_2mu6 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 LYS C C -13.465 0.392 -2.605 . . . 1.0 . . . . . . . . . . . . A . 1 LYS C . . . . . . . . . c25200_2mu6 1 . 1 . 2 . 1 1 1 LYS CA C -13.234 -0.963 -3.333 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CA . . . . . . . . . c25200_2mu6 1 . 1 . 3 . 1 1 1 LYS CB C -12.534 -0.860 -4.723 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CB . . . . . . . . . c25200_2mu6 1 . 1 . 4 . 1 1 1 LYS CD C -11.164 -2.010 -6.546 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CD . . . . . . . . . c25200_2mu6 1 . 1 . 5 . 1 1 1 LYS CE C -10.236 -3.180 -6.914 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CE . . . . . . . . . c25200_2mu6 1 . 1 . 6 . 1 1 1 LYS CG C -11.730 -2.117 -5.122 . . . 1.0 . . . . . . . . . . . . A . 1 LYS CG . . . . . . . . . c25200_2mu6 1 . 1 . 7 . 1 1 1 LYS H1 H -14.529 -1.546 -4.762 . . . 1.0 . . . . . . . . . . . . A . 1 LYS H1 . . . . . . . . . c25200_2mu6 1 . 1 . 8 . 1 1 1 LYS HA H -12.653 -1.622 -2.651 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HA . . . . . . . . . c25200_2mu6 1 . 1 . 9 . 1 1 1 LYS HB2 H -13.231 -0.579 -5.543 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 10 . 1 1 1 LYS HB3 H -11.868 -0.001 -4.726 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 11 . 1 1 1 LYS HD2 H -12.018 -1.964 -7.251 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 12 . 1 1 1 LYS HD3 H -10.629 -1.048 -6.650 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HD3 . . . . . . . . . c25200_2mu6 1 . 1 . 13 . 1 1 1 LYS HE2 H -9.381 -3.230 -6.215 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 14 . 1 1 1 LYS HE3 H -10.771 -4.144 -6.821 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HE3 . . . . . . . . . c25200_2mu6 1 . 1 . 15 . 1 1 1 LYS HG2 H -10.938 -2.233 -4.375 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 16 . 1 1 1 LYS HG3 H -12.316 -3.052 -5.039 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 17 . 1 1 1 LYS HZ1 H -10.505 -3.003 -8.953 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ1 . . . . . . . . . c25200_2mu6 1 . 1 . 18 . 1 1 1 LYS HZ2 H -9.221 -2.159 -8.394 . . . 1.0 . . . . . . . . . . . . A . 1 LYS HZ2 . . . . . . . . . c25200_2mu6 1 . 1 . 19 . 1 1 1 LYS N N -14.487 -1.598 -3.745 . . . 1.0 . . . . . . . . . . . . A . 1 LYS N . . . . . . . . . c25200_2mu6 1 . 1 . 20 . 1 1 1 LYS NZ N -9.723 -3.048 -8.290 . . . 1.0 . . . . . . . . . . . . A . 1 LYS NZ . . . . . . . . . c25200_2mu6 1 . 1 . 21 . 1 1 1 LYS O O -13.093 1.470 -3.078 . . . 1.0 . . . . . . . . . . . . A . 1 LYS O . . . . . . . . . c25200_2mu6 1 . 1 . 22 . 1 1 2 SER C C -13.259 1.498 0.581 . . . 1.0 . . . . . . . . . . . . A . 2 SER C . . . . . . . . . c25200_2mu6 1 . 1 . 23 . 1 1 2 SER CA C -14.365 1.417 -0.509 . . . 1.0 . . . . . . . . . . . . A . 2 SER CA . . . . . . . . . c25200_2mu6 1 . 1 . 24 . 1 1 2 SER CB C -15.805 1.329 0.052 . . . 1.0 . . . . . . . . . . . . A . 2 SER CB . . . . . . . . . c25200_2mu6 1 . 1 . 25 . 1 1 2 SER H H -14.531 -0.618 -1.289 . . . 1.0 . . . . . . . . . . . . A . 2 SER H . . . . . . . . . c25200_2mu6 1 . 1 . 26 . 1 1 2 SER HA H -14.322 2.335 -1.097 . . . 1.0 . . . . . . . . . . . . A . 2 SER HA . . . . . . . . . c25200_2mu6 1 . 1 . 27 . 1 1 2 SER HB2 H -15.964 0.387 0.609 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 28 . 1 1 2 SER HB3 H -15.983 2.146 0.776 . . . 1.0 . . . . . . . . . . . . A . 2 SER HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 29 . 1 1 2 SER HG H -16.618 2.278 -1.413 . . . 1.0 . . . . . . . . . . . . A . 2 SER HG . . . . . . . . . c25200_2mu6 1 . 1 . 30 . 1 1 2 SER N N -14.075 0.283 -1.416 . . . 1.0 . . . . . . . . . . . . A . 2 SER N . . . . . . . . . c25200_2mu6 1 . 1 . 31 . 1 1 2 SER O O -12.517 2.483 0.634 . . . 1.0 . . . . . . . . . . . . A . 2 SER O . . . . . . . . . c25200_2mu6 1 . 1 . 32 . 1 1 2 SER OG O -16.771 1.429 -0.991 . . . 1.0 . . . . . . . . . . . . A . 2 SER OG . . . . . . . . . c25200_2mu6 1 . 1 . 33 . 1 1 3 MET C C -10.853 -0.441 2.056 . . . 1.0 . . . . . . . . . . . . A . 3 MET C . . . . . . . . . c25200_2mu6 1 . 1 . 34 . 1 1 3 MET CA C -12.140 0.334 2.494 . . . 1.0 . . . . . . . . . . . . A . 3 MET CA . . . . . . . . . c25200_2mu6 1 . 1 . 35 . 1 1 3 MET CB C -12.751 -0.318 3.764 . . . 1.0 . . . . . . . . . . . . A . 3 MET CB . . . . . . . . . c25200_2mu6 1 . 1 . 36 . 1 1 3 MET CE C -15.630 0.829 6.560 . . . 1.0 . . . . . . . . . . . . A . 3 MET CE . . . . . . . . . c25200_2mu6 1 . 1 . 37 . 1 1 3 MET CG C -13.916 0.454 4.404 . . . 1.0 . . . . . . . . . . . . A . 3 MET CG . . . . . . . . . c25200_2mu6 1 . 1 . 38 . 1 1 3 MET H H -13.972 -0.154 1.419 . . . 1.0 . . . . . . . . . . . . A . 3 MET H . . . . . . . . . c25200_2mu6 1 . 1 . 39 . 1 1 3 MET HA H -11.841 1.348 2.777 . . . 1.0 . . . . . . . . . . . . A . 3 MET HA . . . . . . . . . c25200_2mu6 1 . 1 . 40 . 1 1 3 MET HB2 H -13.074 -1.356 3.555 . . . 1.0 . . . . . . . . . . . . A . 3 MET HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 41 . 1 1 3 MET HB3 H -11.962 -0.411 4.531 . . . 1.0 . . . . . . . . . . . . A . 3 MET HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 42 . 1 1 3 MET HE1 H -15.990 0.533 7.562 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE1 . . . . . . . . . c25200_2mu6 1 . 1 . 43 . 1 1 3 MET HE2 H -16.483 0.771 5.859 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 44 . 1 1 3 MET HE3 H -15.295 1.881 6.613 . . . 1.0 . . . . . . . . . . . . A . 3 MET HE3 . . . . . . . . . c25200_2mu6 1 . 1 . 45 . 1 1 3 MET HG2 H -13.656 1.522 4.511 . . . 1.0 . . . . . . . . . . . . A . 3 MET HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 46 . 1 1 3 MET HG3 H -14.817 0.408 3.764 . . . 1.0 . . . . . . . . . . . . A . 3 MET HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 47 . 1 1 3 MET N N -13.160 0.457 1.428 . . . 1.0 . . . . . . . . . . . . A . 3 MET N . . . . . . . . . c25200_2mu6 1 . 1 . 48 . 1 1 3 MET O O -9.756 -0.046 2.457 . . . 1.0 . . . . . . . . . . . . A . 3 MET O . . . . . . . . . c25200_2mu6 1 . 1 . 49 . 1 1 3 MET SD S -14.286 -0.249 6.028 . . . 1.0 . . . . . . . . . . . . A . 3 MET SD . . . . . . . . . c25200_2mu6 1 . 1 . 50 . 1 1 4 ILE C C -8.798 -1.644 -0.161 . . . 1.0 . . . . . . . . . . . . A . 4 ILE C . . . . . . . . . c25200_2mu6 1 . 1 . 51 . 1 1 4 ILE CA C -9.844 -2.355 0.761 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CA . . . . . . . . . c25200_2mu6 1 . 1 . 52 . 1 1 4 ILE CB C -10.351 -3.745 0.227 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CB . . . . . . . . . c25200_2mu6 1 . 1 . 53 . 1 1 4 ILE CD1 C -9.609 -6.240 -0.105 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 54 . 1 1 4 ILE CG1 C -9.192 -4.765 0.013 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG1 . . . . . . . . . c25200_2mu6 1 . 1 . 55 . 1 1 4 ILE CG2 C -11.240 -3.624 -1.035 . . . 1.0 . . . . . . . . . . . . A . 4 ILE CG2 . . . . . . . . . c25200_2mu6 1 . 1 . 56 . 1 1 4 ILE H H -11.911 -1.607 0.829 . . . 1.0 . . . . . . . . . . . . A . 4 ILE H . . . . . . . . . c25200_2mu6 1 . 1 . 57 . 1 1 4 ILE HA H -9.299 -2.592 1.676 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HA . . . . . . . . . c25200_2mu6 1 . 1 . 58 . 1 1 4 ILE HB H -10.982 -4.189 1.023 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HB . . . . . . . . . c25200_2mu6 1 . 1 . 59 . 1 1 4 ILE HD11 H -10.173 -6.577 0.784 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD11 . . . . . . . . . c25200_2mu6 1 . 1 . 60 . 1 1 4 ILE HD12 H -10.241 -6.424 -0.993 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD12 . . . . . . . . . c25200_2mu6 1 . 1 . 61 . 1 1 4 ILE HD13 H -8.723 -6.894 -0.198 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HD13 . . . . . . . . . c25200_2mu6 1 . 1 . 62 . 1 1 4 ILE HG12 H -8.602 -4.486 -0.880 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG12 . . . . . . . . . c25200_2mu6 1 . 1 . 63 . 1 1 4 ILE HG13 H -8.482 -4.694 0.858 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG13 . . . . . . . . . c25200_2mu6 1 . 1 . 64 . 1 1 4 ILE HG21 H -10.675 -3.222 -1.896 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG21 . . . . . . . . . c25200_2mu6 1 . 1 . 65 . 1 1 4 ILE HG22 H -11.663 -4.598 -1.335 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG22 . . . . . . . . . c25200_2mu6 1 . 1 . 66 . 1 1 4 ILE HG23 H -12.096 -2.950 -0.855 . . . 1.0 . . . . . . . . . . . . A . 4 ILE HG23 . . . . . . . . . c25200_2mu6 1 . 1 . 67 . 1 1 4 ILE N N -10.983 -1.522 1.249 . . . 1.0 . . . . . . . . . . . . A . 4 ILE N . . . . . . . . . c25200_2mu6 1 . 1 . 68 . 1 1 4 ILE O O -7.605 -1.939 -0.034 . . . 1.0 . . . . . . . . . . . . A . 4 ILE O . . . . . . . . . c25200_2mu6 1 . 1 . 69 . 1 1 5 ASN C C -7.216 0.857 -1.221 . . . 1.0 . . . . . . . . . . . . A . 5 ASN C . . . . . . . . . c25200_2mu6 1 . 1 . 70 . 1 1 5 ASN CA C -8.317 0.035 -1.960 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CA . . . . . . . . . c25200_2mu6 1 . 1 . 71 . 1 1 5 ASN CB C -9.189 0.877 -2.932 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CB . . . . . . . . . c25200_2mu6 1 . 1 . 72 . 1 1 5 ASN CG C -9.970 2.112 -2.421 . . . 1.0 . . . . . . . . . . . . A . 5 ASN CG . . . . . . . . . c25200_2mu6 1 . 1 . 73 . 1 1 5 ASN H H -10.221 -0.542 -1.078 . . . 1.0 . . . . . . . . . . . . A . 5 ASN H . . . . . . . . . c25200_2mu6 1 . 1 . 74 . 1 1 5 ASN HA H -7.801 -0.716 -2.583 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HA . . . . . . . . . c25200_2mu6 1 . 1 . 75 . 1 1 5 ASN HB2 H -8.544 1.163 -3.771 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 76 . 1 1 5 ASN HB3 H -9.943 0.211 -3.367 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 77 . 1 1 5 ASN HD21 H -9.342 3.199 -3.984 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD21 . . . . . . . . . c25200_2mu6 1 . 1 . 78 . 1 1 5 ASN HD22 H -10.445 4.028 -2.774 . . . 1.0 . . . . . . . . . . . . A . 5 ASN HD22 . . . . . . . . . c25200_2mu6 1 . 1 . 79 . 1 1 5 ASN N N -9.221 -0.737 -1.065 . . . 1.0 . . . . . . . . . . . . A . 5 ASN N . . . . . . . . . c25200_2mu6 1 . 1 . 80 . 1 1 5 ASN ND2 N -9.913 3.227 -3.132 . . . 1.0 . . . . . . . . . . . . A . 5 ASN ND2 . . . . . . . . . c25200_2mu6 1 . 1 . 81 . 1 1 5 ASN O O -6.024 0.723 -1.505 . . . 1.0 . . . . . . . . . . . . A . 5 ASN O . . . . . . . . . c25200_2mu6 1 . 1 . 82 . 1 1 5 ASN OD1 O -10.640 2.069 -1.392 . . . 1.0 . . . . . . . . . . . . A . 5 ASN OD1 . . . . . . . . . c25200_2mu6 1 . 1 . 83 . 1 1 6 ALA C C -5.877 1.710 1.576 . . . 1.0 . . . . . . . . . . . . A . 6 ALA C . . . . . . . . . c25200_2mu6 1 . 1 . 84 . 1 1 6 ALA CA C -6.817 2.506 0.616 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CA . . . . . . . . . c25200_2mu6 1 . 1 . 85 . 1 1 6 ALA CB C -7.717 3.477 1.403 . . . 1.0 . . . . . . . . . . . . A . 6 ALA CB . . . . . . . . . c25200_2mu6 1 . 1 . 86 . 1 1 6 ALA H H -8.696 1.702 -0.274 . . . 1.0 . . . . . . . . . . . . A . 6 ALA H . . . . . . . . . c25200_2mu6 1 . 1 . 87 . 1 1 6 ALA HA H -6.192 3.115 -0.054 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HA . . . . . . . . . c25200_2mu6 1 . 1 . 88 . 1 1 6 ALA HB1 H -8.339 4.100 0.732 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB1 . . . . . . . . . c25200_2mu6 1 . 1 . 89 . 1 1 6 ALA HB2 H -7.118 4.177 2.016 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 90 . 1 1 6 ALA HB3 H -8.405 2.948 2.091 . . . 1.0 . . . . . . . . . . . . A . 6 ALA HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 91 . 1 1 6 ALA N N -7.673 1.668 -0.256 . . . 1.0 . . . . . . . . . . . . A . 6 ALA N . . . . . . . . . c25200_2mu6 1 . 1 . 92 . 1 1 6 ALA O O -4.765 2.173 1.844 . . . 1.0 . . . . . . . . . . . . A . 6 ALA O . . . . . . . . . c25200_2mu6 1 . 1 . 93 . 1 1 7 TYR C C -4.259 -0.933 2.223 . . . 1.0 . . . . . . . . . . . . A . 7 TYR C . . . . . . . . . c25200_2mu6 1 . 1 . 94 . 1 1 7 TYR CA C -5.498 -0.347 2.965 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CA . . . . . . . . . c25200_2mu6 1 . 1 . 95 . 1 1 7 TYR CB C -6.354 -1.471 3.629 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CB . . . . . . . . . c25200_2mu6 1 . 1 . 96 . 1 1 7 TYR CD1 C -7.590 0.085 5.298 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 97 . 1 1 7 TYR CD2 C -8.550 -2.057 4.732 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CD2 . . . . . . . . . c25200_2mu6 1 . 1 . 98 . 1 1 7 TYR CE1 C -8.663 0.339 6.149 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE1 . . . . . . . . . c25200_2mu6 1 . 1 . 99 . 1 1 7 TYR CE2 C -9.619 -1.803 5.588 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CE2 . . . . . . . . . c25200_2mu6 1 . 1 . 100 . 1 1 7 TYR CG C -7.528 -1.113 4.570 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CG . . . . . . . . . c25200_2mu6 1 . 1 . 101 . 1 1 7 TYR CZ C -9.676 -0.605 6.294 . . . 1.0 . . . . . . . . . . . . A . 7 TYR CZ . . . . . . . . . c25200_2mu6 1 . 1 . 102 . 1 1 7 TYR H H -7.244 0.261 1.724 . . . 1.0 . . . . . . . . . . . . A . 7 TYR H . . . . . . . . . c25200_2mu6 1 . 1 . 103 . 1 1 7 TYR HA H -5.099 0.276 3.781 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HA . . . . . . . . . c25200_2mu6 1 . 1 . 104 . 1 1 7 TYR HB2 H -6.730 -2.133 2.823 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 105 . 1 1 7 TYR HB3 H -5.673 -2.121 4.212 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 106 . 1 1 7 TYR HD1 H -6.812 0.829 5.211 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD1 . . . . . . . . . c25200_2mu6 1 . 1 . 107 . 1 1 7 TYR HD2 H -8.526 -2.995 4.194 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 108 . 1 1 7 TYR HE1 H -8.704 1.270 6.697 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE1 . . . . . . . . . c25200_2mu6 1 . 1 . 109 . 1 1 7 TYR HE2 H -10.405 -2.537 5.697 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 110 . 1 1 7 TYR HH H -11.339 -1.098 7.103 . . . 1.0 . . . . . . . . . . . . A . 7 TYR HH . . . . . . . . . c25200_2mu6 1 . 1 . 111 . 1 1 7 TYR N N -6.317 0.531 2.079 . . . 1.0 . . . . . . . . . . . . A . 7 TYR N . . . . . . . . . c25200_2mu6 1 . 1 . 112 . 1 1 7 TYR O O -3.126 -0.662 2.630 . . . 1.0 . . . . . . . . . . . . A . 7 TYR O . . . . . . . . . c25200_2mu6 1 . 1 . 113 . 1 1 7 TYR OH O -10.738 -0.350 7.125 . . . 1.0 . . . . . . . . . . . . A . 7 TYR OH . . . . . . . . . c25200_2mu6 1 . 1 . 114 . 1 1 8 LEU C C -2.465 -1.283 -0.457 . . . 1.0 . . . . . . . . . . . . A . 8 LEU C . . . . . . . . . c25200_2mu6 1 . 1 . 115 . 1 1 8 LEU CA C -3.397 -2.276 0.292 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CA . . . . . . . . . c25200_2mu6 1 . 1 . 116 . 1 1 8 LEU CB C -3.981 -3.348 -0.672 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CB . . . . . . . . . c25200_2mu6 1 . 1 . 117 . 1 1 8 LEU CD1 C -5.396 -5.455 -0.937 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 118 . 1 1 8 LEU CD2 C -3.283 -5.569 0.441 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CD2 . . . . . . . . . c25200_2mu6 1 . 1 . 119 . 1 1 8 LEU CG C -4.457 -4.669 -0.002 . . . 1.0 . . . . . . . . . . . . A . 8 LEU CG . . . . . . . . . c25200_2mu6 1 . 1 . 120 . 1 1 8 LEU H H -5.466 -1.902 0.972 . . . 1.0 . . . . . . . . . . . . A . 8 LEU H . . . . . . . . . c25200_2mu6 1 . 1 . 121 . 1 1 8 LEU HA H -2.714 -2.768 1.003 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HA . . . . . . . . . c25200_2mu6 1 . 1 . 122 . 1 1 8 LEU HB2 H -4.814 -2.887 -1.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 123 . 1 1 8 LEU HB3 H -3.239 -3.610 -1.452 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 124 . 1 1 8 LEU HD11 H -4.886 -5.780 -1.863 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD11 . . . . . . . . . c25200_2mu6 1 . 1 . 125 . 1 1 8 LEU HD12 H -5.797 -6.362 -0.446 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD12 . . . . . . . . . c25200_2mu6 1 . 1 . 126 . 1 1 8 LEU HD13 H -6.268 -4.849 -1.241 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD13 . . . . . . . . . c25200_2mu6 1 . 1 . 127 . 1 1 8 LEU HD21 H -2.617 -5.059 1.160 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD21 . . . . . . . . . c25200_2mu6 1 . 1 . 128 . 1 1 8 LEU HD22 H -3.641 -6.488 0.942 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD22 . . . . . . . . . c25200_2mu6 1 . 1 . 129 . 1 1 8 LEU HD23 H -2.657 -5.885 -0.415 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HD23 . . . . . . . . . c25200_2mu6 1 . 1 . 130 . 1 1 8 LEU HG H -5.034 -4.406 0.903 . . . 1.0 . . . . . . . . . . . . A . 8 LEU HG . . . . . . . . . c25200_2mu6 1 . 1 . 131 . 1 1 8 LEU N N -4.481 -1.688 1.128 . . . 1.0 . . . . . . . . . . . . A . 8 LEU N . . . . . . . . . c25200_2mu6 1 . 1 . 132 . 1 1 8 LEU O O -1.363 -1.702 -0.828 . . . 1.0 . . . . . . . . . . . . A . 8 LEU O . . . . . . . . . c25200_2mu6 1 . 1 . 133 . 1 1 9 ASP C C -0.696 1.196 -0.501 . . . 1.0 . . . . . . . . . . . . A . 9 ASP C . . . . . . . . . c25200_2mu6 1 . 1 . 134 . 1 1 9 ASP CA C -2.008 1.022 -1.333 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CA . . . . . . . . . c25200_2mu6 1 . 1 . 135 . 1 1 9 ASP CB C -2.825 2.332 -1.515 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CB . . . . . . . . . c25200_2mu6 1 . 1 . 136 . 1 1 9 ASP CG C -2.133 3.405 -2.366 . . . 1.0 . . . . . . . . . . . . A . 9 ASP CG . . . . . . . . . c25200_2mu6 1 . 1 . 137 . 1 1 9 ASP H H -3.826 0.206 -0.407 . . . 1.0 . . . . . . . . . . . . A . 9 ASP H . . . . . . . . . c25200_2mu6 1 . 1 . 138 . 1 1 9 ASP HA H -1.752 0.639 -2.332 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HA . . . . . . . . . c25200_2mu6 1 . 1 . 139 . 1 1 9 ASP HB2 H -3.802 2.104 -1.972 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 140 . 1 1 9 ASP HB3 H -3.083 2.767 -0.530 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 141 . 1 1 9 ASP HD2 H -2.712 2.334 -3.885 . . . 1.0 . . . . . . . . . . . . A . 9 ASP HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 142 . 1 1 9 ASP N N -2.864 -0.006 -0.681 . . . 1.0 . . . . . . . . . . . . A . 9 ASP N . . . . . . . . . c25200_2mu6 1 . 1 . 143 . 1 1 9 ASP O O 0.389 0.885 -0.992 . . . 1.0 . . . . . . . . . . . . A . 9 ASP O . . . . . . . . . c25200_2mu6 1 . 1 . 144 . 1 1 9 ASP OD1 O -1.558 4.383 -1.888 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD1 . . . . . . . . . c25200_2mu6 1 . 1 . 145 . 1 1 9 ASP OD2 O -2.227 3.144 -3.709 . . . 1.0 . . . . . . . . . . . . A . 9 ASP OD2 . . . . . . . . . c25200_2mu6 1 . 1 . 146 . 1 1 10 LYS C C 0.899 0.426 2.240 . . . 1.0 . . . . . . . . . . . . A . 10 LYS C . . . . . . . . . c25200_2mu6 1 . 1 . 147 . 1 1 10 LYS CA C 0.280 1.764 1.724 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CA . . . . . . . . . c25200_2mu6 1 . 1 . 148 . 1 1 10 LYS CB C -0.128 2.698 2.900 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CB . . . . . . . . . c25200_2mu6 1 . 1 . 149 . 1 1 10 LYS CD C -1.536 4.637 1.830 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CD . . . . . . . . . c25200_2mu6 1 . 1 . 150 . 1 1 10 LYS CE C -1.651 6.161 1.659 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CE . . . . . . . . . c25200_2mu6 1 . 1 . 151 . 1 1 10 LYS CG C -0.263 4.211 2.592 . . . 1.0 . . . . . . . . . . . . A . 10 LYS CG . . . . . . . . . c25200_2mu6 1 . 1 . 152 . 1 1 10 LYS H H -1.777 1.969 0.958 . . . 1.0 . . . . . . . . . . . . A . 10 LYS H . . . . . . . . . c25200_2mu6 1 . 1 . 153 . 1 1 10 LYS HA H 1.099 2.240 1.164 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HA . . . . . . . . . c25200_2mu6 1 . 1 . 154 . 1 1 10 LYS HB2 H -1.047 2.326 3.392 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 155 . 1 1 10 LYS HB3 H 0.645 2.623 3.687 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 156 . 1 1 10 LYS HD2 H -1.544 4.166 0.831 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 157 . 1 1 10 LYS HD3 H -2.429 4.249 2.358 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HD3 . . . . . . . . . c25200_2mu6 1 . 1 . 158 . 1 1 10 LYS HE2 H -1.680 6.661 2.645 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 159 . 1 1 10 LYS HE3 H -0.762 6.559 1.135 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HE3 . . . . . . . . . c25200_2mu6 1 . 1 . 160 . 1 1 10 LYS HG2 H -0.241 4.751 3.557 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 161 . 1 1 10 LYS HG3 H 0.636 4.557 2.048 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 162 . 1 1 10 LYS HZ1 H -2.814 6.127 -0.046 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ1 . . . . . . . . . c25200_2mu6 1 . 1 . 163 . 1 1 10 LYS HZ2 H -2.898 7.543 0.766 . . . 1.0 . . . . . . . . . . . . A . 10 LYS HZ2 . . . . . . . . . c25200_2mu6 1 . 1 . 164 . 1 1 10 LYS N N -0.843 1.600 0.773 . . . 1.0 . . . . . . . . . . . . A . 10 LYS N . . . . . . . . . c25200_2mu6 1 . 1 . 165 . 1 1 10 LYS NZ N -2.859 6.526 0.898 . . . 1.0 . . . . . . . . . . . . A . 10 LYS NZ . . . . . . . . . c25200_2mu6 1 . 1 . 166 . 1 1 10 LYS O O 2.062 0.475 2.651 . . . 1.0 . . . . . . . . . . . . A . 10 LYS O . . . . . . . . . c25200_2mu6 1 . 1 . 167 . 1 1 11 LEU C C 1.950 -2.470 1.722 . . . 1.0 . . . . . . . . . . . . A . 11 LEU C . . . . . . . . . c25200_2mu6 1 . 1 . 168 . 1 1 11 LEU CA C 0.798 -2.035 2.676 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CA . . . . . . . . . c25200_2mu6 1 . 1 . 169 . 1 1 11 LEU CB C -0.260 -3.154 2.895 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CB . . . . . . . . . c25200_2mu6 1 . 1 . 170 . 1 1 11 LEU CD1 C -2.411 -3.900 4.059 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 171 . 1 1 11 LEU CD2 C -0.409 -3.298 5.468 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CD2 . . . . . . . . . c25200_2mu6 1 . 1 . 172 . 1 1 11 LEU CG C -1.162 -3.001 4.153 . . . 1.0 . . . . . . . . . . . . A . 11 LEU CG . . . . . . . . . c25200_2mu6 1 . 1 . 173 . 1 1 11 LEU H H -0.750 -0.727 1.850 . . . 1.0 . . . . . . . . . . . . A . 11 LEU H . . . . . . . . . c25200_2mu6 1 . 1 . 174 . 1 1 11 LEU HA H 1.251 -1.834 3.650 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HA . . . . . . . . . c25200_2mu6 1 . 1 . 175 . 1 1 11 LEU HB2 H -0.879 -3.230 1.982 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 176 . 1 1 11 LEU HB3 H 0.247 -4.137 2.953 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 177 . 1 1 11 LEU HD11 H -2.149 -4.973 3.993 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD11 . . . . . . . . . c25200_2mu6 1 . 1 . 178 . 1 1 11 LEU HD12 H -3.023 -3.658 3.172 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD12 . . . . . . . . . c25200_2mu6 1 . 1 . 179 . 1 1 11 LEU HD13 H -3.073 -3.775 4.937 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD13 . . . . . . . . . c25200_2mu6 1 . 1 . 180 . 1 1 11 LEU HD21 H -1.065 -3.174 6.351 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD21 . . . . . . . . . c25200_2mu6 1 . 1 . 181 . 1 1 11 LEU HD22 H -0.013 -4.330 5.497 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD22 . . . . . . . . . c25200_2mu6 1 . 1 . 182 . 1 1 11 LEU HD23 H 0.447 -2.616 5.619 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HD23 . . . . . . . . . c25200_2mu6 1 . 1 . 183 . 1 1 11 LEU HG H -1.513 -1.955 4.204 . . . 1.0 . . . . . . . . . . . . A . 11 LEU HG . . . . . . . . . c25200_2mu6 1 . 1 . 184 . 1 1 11 LEU N N 0.199 -0.744 2.236 . . . 1.0 . . . . . . . . . . . . A . 11 LEU N . . . . . . . . . c25200_2mu6 1 . 1 . 185 . 1 1 11 LEU O O 3.076 -2.653 2.190 . . . 1.0 . . . . . . . . . . . . A . 11 LEU O . . . . . . . . . c25200_2mu6 1 . 1 . 186 . 1 1 12 ASP C C 3.711 -1.801 -0.912 . . . 1.0 . . . . . . . . . . . . A . 12 ASP C . . . . . . . . . c25200_2mu6 1 . 1 . 187 . 1 1 12 ASP CA C 2.701 -2.940 -0.611 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CA . . . . . . . . . c25200_2mu6 1 . 1 . 188 . 1 1 12 ASP CB C 2.014 -3.539 -1.866 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CB . . . . . . . . . c25200_2mu6 1 . 1 . 189 . 1 1 12 ASP CG C 2.967 -4.264 -2.829 . . . 1.0 . . . . . . . . . . . . A . 12 ASP CG . . . . . . . . . c25200_2mu6 1 . 1 . 190 . 1 1 12 ASP H H 0.699 -2.448 0.170 . . . 1.0 . . . . . . . . . . . . A . 12 ASP H . . . . . . . . . c25200_2mu6 1 . 1 . 191 . 1 1 12 ASP HA H 3.321 -3.705 -0.130 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HA . . . . . . . . . c25200_2mu6 1 . 1 . 192 . 1 1 12 ASP HB2 H 1.243 -4.272 -1.560 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 193 . 1 1 12 ASP HB3 H 1.458 -2.751 -2.410 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 194 . 1 1 12 ASP HD2 H 3.985 -3.910 -4.450 . . . 1.0 . . . . . . . . . . . . A . 12 ASP HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 195 . 1 1 12 ASP N N 1.680 -2.585 0.405 . . . 1.0 . . . . . . . . . . . . A . 12 ASP N . . . . . . . . . c25200_2mu6 1 . 1 . 196 . 1 1 12 ASP O O 4.894 -2.114 -1.078 . . . 1.0 . . . . . . . . . . . . A . 12 ASP O . . . . . . . . . c25200_2mu6 1 . 1 . 197 . 1 1 12 ASP OD1 O 3.314 -5.436 -2.684 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD1 . . . . . . . . . c25200_2mu6 1 . 1 . 198 . 1 1 12 ASP OD2 O 3.387 -3.454 -3.853 . . . 1.0 . . . . . . . . . . . . A . 12 ASP OD2 . . . . . . . . . c25200_2mu6 1 . 1 . 199 . 1 1 13 LEU C C 5.352 0.709 -0.123 . . . 1.0 . . . . . . . . . . . . A . 13 LEU C . . . . . . . . . c25200_2mu6 1 . 1 . 200 . 1 1 13 LEU CA C 4.232 0.618 -1.210 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CA . . . . . . . . . c25200_2mu6 1 . 1 . 201 . 1 1 13 LEU CB C 3.500 1.971 -1.387 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CB . . . . . . . . . c25200_2mu6 1 . 1 . 202 . 1 1 13 LEU CD1 C 1.869 3.415 -2.669 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 203 . 1 1 13 LEU CD2 C 3.661 2.204 -3.961 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CD2 . . . . . . . . . c25200_2mu6 1 . 1 . 204 . 1 1 13 LEU CG C 2.735 2.149 -2.729 . . . 1.0 . . . . . . . . . . . . A . 13 LEU CG . . . . . . . . . c25200_2mu6 1 . 1 . 205 . 1 1 13 LEU H H 2.281 -0.375 -0.912 . . . 1.0 . . . . . . . . . . . . A . 13 LEU H . . . . . . . . . c25200_2mu6 1 . 1 . 206 . 1 1 13 LEU HA H 4.739 0.410 -2.155 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HA . . . . . . . . . c25200_2mu6 1 . 1 . 207 . 1 1 13 LEU HB2 H 2.813 2.118 -0.530 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 208 . 1 1 13 LEU HB3 H 4.228 2.802 -1.299 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 209 . 1 1 13 LEU HD11 H 1.259 3.526 -3.583 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD11 . . . . . . . . . c25200_2mu6 1 . 1 . 210 . 1 1 13 LEU HD12 H 2.486 4.326 -2.557 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD12 . . . . . . . . . c25200_2mu6 1 . 1 . 211 . 1 1 13 LEU HD13 H 1.169 3.380 -1.814 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD13 . . . . . . . . . c25200_2mu6 1 . 1 . 212 . 1 1 13 LEU HD21 H 4.418 3.005 -3.874 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD21 . . . . . . . . . c25200_2mu6 1 . 1 . 213 . 1 1 13 LEU HD22 H 4.202 1.252 -4.110 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD22 . . . . . . . . . c25200_2mu6 1 . 1 . 214 . 1 1 13 LEU HD23 H 3.089 2.381 -4.890 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HD23 . . . . . . . . . c25200_2mu6 1 . 1 . 215 . 1 1 13 LEU HG H 2.053 1.291 -2.869 . . . 1.0 . . . . . . . . . . . . A . 13 LEU HG . . . . . . . . . c25200_2mu6 1 . 1 . 216 . 1 1 13 LEU N N 3.290 -0.517 -0.987 . . . 1.0 . . . . . . . . . . . . A . 13 LEU N . . . . . . . . . c25200_2mu6 1 . 1 . 217 . 1 1 13 LEU O O 6.473 1.087 -0.454 . . . 1.0 . . . . . . . . . . . . A . 13 LEU O . . . . . . . . . c25200_2mu6 1 . 1 . 218 . 1 1 14 GLU C C 6.763 -1.021 2.460 . . . 1.0 . . . . . . . . . . . . A . 14 GLU C . . . . . . . . . c25200_2mu6 1 . 1 . 219 . 1 1 14 GLU CA C 6.016 0.330 2.250 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CA . . . . . . . . . c25200_2mu6 1 . 1 . 220 . 1 1 14 GLU CB C 5.326 0.814 3.536 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CB . . . . . . . . . c25200_2mu6 1 . 1 . 221 . 1 1 14 GLU CD C 4.219 2.687 4.888 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CD . . . . . . . . . c25200_2mu6 1 . 1 . 222 . 1 1 14 GLU CG C 4.872 2.293 3.562 . . . 1.0 . . . . . . . . . . . . A . 14 GLU CG . . . . . . . . . c25200_2mu6 1 . 1 . 223 . 1 1 14 GLU H H 4.061 0.263 1.348 . . . 1.0 . . . . . . . . . . . . A . 14 GLU H . . . . . . . . . c25200_2mu6 1 . 1 . 224 . 1 1 14 GLU HA H 6.786 1.049 2.017 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HA . . . . . . . . . c25200_2mu6 1 . 1 . 225 . 1 1 14 GLU HB2 H 4.475 0.153 3.714 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 226 . 1 1 14 GLU HB3 H 6.002 0.645 4.384 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 227 . 1 1 14 GLU HE2 H 2.507 2.530 5.801 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 228 . 1 1 14 GLU HG2 H 5.740 2.953 3.376 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 229 . 1 1 14 GLU HG3 H 4.165 2.496 2.736 . . . 1.0 . . . . . . . . . . . . A . 14 GLU HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 230 . 1 1 14 GLU N N 5.053 0.347 1.140 . . . 1.0 . . . . . . . . . . . . A . 14 GLU N . . . . . . . . . c25200_2mu6 1 . 1 . 231 . 1 1 14 GLU O O 7.858 -0.975 3.028 . . . 1.0 . . . . . . . . . . . . A . 14 GLU O . . . . . . . . . c25200_2mu6 1 . 1 . 232 . 1 1 14 GLU OE1 O 4.809 3.299 5.778 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE1 . . . . . . . . . c25200_2mu6 1 . 1 . 233 . 1 1 14 GLU OE2 O 2.912 2.280 4.967 . . . 1.0 . . . . . . . . . . . . A . 14 GLU OE2 . . . . . . . . . c25200_2mu6 1 . 1 . 234 . 1 1 15 THR C C 8.143 -3.600 1.189 . . . 1.0 . . . . . . . . . . . . A . 15 THR C . . . . . . . . . c25200_2mu6 1 . 1 . 235 . 1 1 15 THR CA C 6.970 -3.490 2.207 . . . 1.0 . . . . . . . . . . . . A . 15 THR CA . . . . . . . . . c25200_2mu6 1 . 1 . 236 . 1 1 15 THR CB C 6.017 -4.718 2.194 . . . 1.0 . . . . . . . . . . . . A . 15 THR CB . . . . . . . . . c25200_2mu6 1 . 1 . 237 . 1 1 15 THR CG2 C 5.192 -4.903 3.480 . . . 1.0 . . . . . . . . . . . . A . 15 THR CG2 . . . . . . . . . c25200_2mu6 1 . 1 . 238 . 1 1 15 THR H H 5.410 -2.217 1.460 . . . 1.0 . . . . . . . . . . . . A . 15 THR H . . . . . . . . . c25200_2mu6 1 . 1 . 239 . 1 1 15 THR HA H 7.425 -3.471 3.199 . . . 1.0 . . . . . . . . . . . . A . 15 THR HA . . . . . . . . . c25200_2mu6 1 . 1 . 240 . 1 1 15 THR HB H 6.645 -5.606 2.092 . . . 1.0 . . . . . . . . . . . . A . 15 THR HB . . . . . . . . . c25200_2mu6 1 . 1 . 241 . 1 1 15 THR HG1 H 4.646 -5.525 1.115 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG1 . . . . . . . . . c25200_2mu6 1 . 1 . 242 . 1 1 15 THR HG21 H 4.532 -5.787 3.412 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG21 . . . . . . . . . c25200_2mu6 1 . 1 . 243 . 1 1 15 THR HG22 H 5.846 -5.054 4.359 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG22 . . . . . . . . . c25200_2mu6 1 . 1 . 244 . 1 1 15 THR HG23 H 4.553 -4.030 3.699 . . . 1.0 . . . . . . . . . . . . A . 15 THR HG23 . . . . . . . . . c25200_2mu6 1 . 1 . 245 . 1 1 15 THR N N 6.243 -2.208 2.054 . . . 1.0 . . . . . . . . . . . . A . 15 THR N . . . . . . . . . c25200_2mu6 1 . 1 . 246 . 1 1 15 THR O O 9.304 -3.702 1.593 . . . 1.0 . . . . . . . . . . . . A . 15 THR O . . . . . . . . . c25200_2mu6 1 . 1 . 247 . 1 1 15 THR OG1 O 5.146 -4.707 1.070 . . . 1.0 . . . . . . . . . . . . A . 15 THR OG1 . . . . . . . . . c25200_2mu6 1 . 1 . 248 . 1 1 16 VAL C C 9.303 -2.188 -1.733 . . . 1.0 . . . . . . . . . . . . A . 16 VAL C . . . . . . . . . c25200_2mu6 1 . 1 . 249 . 1 1 16 VAL CA C 8.785 -3.579 -1.223 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CA . . . . . . . . . c25200_2mu6 1 . 1 . 250 . 1 1 16 VAL CB C 8.193 -4.460 -2.379 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CB . . . . . . . . . c25200_2mu6 1 . 1 . 251 . 1 1 16 VAL CG1 C 8.107 -5.965 -2.031 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG1 . . . . . . . . . c25200_2mu6 1 . 1 . 252 . 1 1 16 VAL CG2 C 6.856 -3.982 -2.996 . . . 1.0 . . . . . . . . . . . . A . 16 VAL CG2 . . . . . . . . . c25200_2mu6 1 . 1 . 253 . 1 1 16 VAL H H 6.831 -3.555 -0.331 . . . 1.0 . . . . . . . . . . . . A . 16 VAL H . . . . . . . . . c25200_2mu6 1 . 1 . 254 . 1 1 16 VAL HA H 9.674 -4.107 -0.856 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HA . . . . . . . . . c25200_2mu6 1 . 1 . 255 . 1 1 16 VAL HB H 8.922 -4.401 -3.194 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HB . . . . . . . . . c25200_2mu6 1 . 1 . 256 . 1 1 16 VAL HG11 H 9.080 -6.357 -1.680 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG11 . . . . . . . . . c25200_2mu6 1 . 1 . 257 . 1 1 16 VAL HG12 H 7.367 -6.166 -1.234 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG12 . . . . . . . . . c25200_2mu6 1 . 1 . 258 . 1 1 16 VAL HG13 H 7.817 -6.574 -2.908 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG13 . . . . . . . . . c25200_2mu6 1 . 1 . 259 . 1 1 16 VAL HG21 H 6.012 -4.105 -2.294 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG21 . . . . . . . . . c25200_2mu6 1 . 1 . 260 . 1 1 16 VAL HG22 H 6.601 -4.550 -3.911 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG22 . . . . . . . . . c25200_2mu6 1 . 1 . 261 . 1 1 16 VAL HG23 H 6.894 -2.915 -3.283 . . . 1.0 . . . . . . . . . . . . A . 16 VAL HG23 . . . . . . . . . c25200_2mu6 1 . 1 . 262 . 1 1 16 VAL N N 7.820 -3.538 -0.112 . . . 1.0 . . . . . . . . . . . . A . 16 VAL N . . . . . . . . . c25200_2mu6 1 . 1 . 263 . 1 1 16 VAL O O 10.180 -2.211 -2.604 . . . 1.0 . . . . . . . . . . . . A . 16 VAL O . . . . . . . . . c25200_2mu6 1 . 1 . 264 . 1 1 17 ARG C C 9.447 1.454 -0.654 . . . 1.0 . . . . . . . . . . . . A . 17 ARG C . . . . . . . . . c25200_2mu6 1 . 1 . 265 . 1 1 17 ARG CA C 9.349 0.295 -1.711 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CA . . . . . . . . . c25200_2mu6 1 . 1 . 266 . 1 1 17 ARG CB C 8.592 0.499 -3.065 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CB . . . . . . . . . c25200_2mu6 1 . 1 . 267 . 1 1 17 ARG CD C 8.351 2.925 -4.019 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CD . . . . . . . . . c25200_2mu6 1 . 1 . 268 . 1 1 17 ARG CG C 7.679 1.716 -3.327 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CG . . . . . . . . . c25200_2mu6 1 . 1 . 269 . 1 1 17 ARG CZ C 7.011 4.988 -3.486 . . . 1.0 . . . . . . . . . . . . A . 17 ARG CZ . . . . . . . . . c25200_2mu6 1 . 1 . 270 . 1 1 17 ARG H H 8.003 -1.021 -0.671 . . . 1.0 . . . . . . . . . . . . A . 17 ARG H . . . . . . . . . c25200_2mu6 1 . 1 . 271 . 1 1 17 ARG HA H 10.392 0.157 -1.990 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HA . . . . . . . . . c25200_2mu6 1 . 1 . 272 . 1 1 17 ARG HB2 H 9.373 0.444 -3.823 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 273 . 1 1 17 ARG HB3 H 7.988 -0.391 -3.336 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 274 . 1 1 17 ARG HD2 H 9.192 3.312 -3.416 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 275 . 1 1 17 ARG HD3 H 8.812 2.592 -4.967 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HD3 . . . . . . . . . c25200_2mu6 1 . 1 . 276 . 1 1 17 ARG HG2 H 6.852 1.367 -3.969 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 277 . 1 1 17 ARG HG3 H 7.199 2.021 -2.382 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 278 . 1 1 17 ARG HH11 H 8.157 4.417 -1.934 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH11 . . . . . . . . . c25200_2mu6 1 . 1 . 279 . 1 1 17 ARG HH12 H 7.113 5.907 -1.698 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH12 . . . . . . . . . c25200_2mu6 1 . 1 . 280 . 1 1 17 ARG HH21 H 5.785 5.754 -4.872 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH21 . . . . . . . . . c25200_2mu6 1 . 1 . 281 . 1 1 17 ARG HH22 H 5.861 6.611 -3.251 . . . 1.0 . . . . . . . . . . . . A . 17 ARG HH22 . . . . . . . . . c25200_2mu6 1 . 1 . 282 . 1 1 17 ARG N N 8.860 -1.011 -1.216 . . . 1.0 . . . . . . . . . . . . A . 17 ARG N . . . . . . . . . c25200_2mu6 1 . 1 . 283 . 1 1 17 ARG NE N 7.382 4.006 -4.332 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NE . . . . . . . . . c25200_2mu6 1 . 1 . 284 . 1 1 17 ARG NH1 N 7.475 5.117 -2.244 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH1 . . . . . . . . . c25200_2mu6 1 . 1 . 285 . 1 1 17 ARG NH2 N 6.130 5.874 -3.913 . . . 1.0 . . . . . . . . . . . . A . 17 ARG NH2 . . . . . . . . . c25200_2mu6 1 . 1 . 286 . 1 1 17 ARG O O 9.243 2.621 -0.996 . . . 1.0 . . . . . . . . . . . . A . 17 ARG O . . . . . . . . . c25200_2mu6 1 . 1 . 287 . 1 1 18 LYS C C 11.228 3.161 1.453 . . . 1.0 . . . . . . . . . . . . A . 18 LYS C . . . . . . . . . c25200_2mu6 1 . 1 . 288 . 1 1 18 LYS CA C 10.000 2.223 1.668 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CA . . . . . . . . . c25200_2mu6 1 . 1 . 289 . 1 1 18 LYS CB C 9.856 1.694 3.125 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CB . . . . . . . . . c25200_2mu6 1 . 1 . 290 . 1 1 18 LYS CD C 12.067 1.003 4.329 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CD . . . . . . . . . c25200_2mu6 1 . 1 . 291 . 1 1 18 LYS CE C 13.069 -0.127 4.636 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CE . . . . . . . . . c25200_2mu6 1 . 1 . 292 . 1 1 18 LYS CG C 10.786 0.555 3.590 . . . 1.0 . . . . . . . . . . . . A . 18 LYS CG . . . . . . . . . c25200_2mu6 1 . 1 . 293 . 1 1 18 LYS H H 9.975 0.187 0.832 . . . 1.0 . . . . . . . . . . . . A . 18 LYS H . . . . . . . . . c25200_2mu6 1 . 1 . 294 . 1 1 18 LYS HA H 9.120 2.851 1.563 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HA . . . . . . . . . c25200_2mu6 1 . 1 . 295 . 1 1 18 LYS HB2 H 9.907 2.539 3.838 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 296 . 1 1 18 LYS HB3 H 8.816 1.339 3.238 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 297 . 1 1 18 LYS HD2 H 12.593 1.761 3.727 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 298 . 1 1 18 LYS HD3 H 11.791 1.529 5.262 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HD3 . . . . . . . . . c25200_2mu6 1 . 1 . 299 . 1 1 18 LYS HE2 H 13.317 -0.684 3.713 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 300 . 1 1 18 LYS HE3 H 14.022 0.317 4.979 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HE3 . . . . . . . . . c25200_2mu6 1 . 1 . 301 . 1 1 18 LYS HG2 H 10.222 -0.115 4.270 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG2 . . . . . . . . . c25200_2mu6 1 . 1 . 302 . 1 1 18 LYS HG3 H 11.030 -0.045 2.699 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HG3 . . . . . . . . . c25200_2mu6 1 . 1 . 303 . 1 1 18 LYS HZ1 H 13.318 -1.768 5.865 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ1 . . . . . . . . . c25200_2mu6 1 . 1 . 304 . 1 1 18 LYS HZ2 H 12.443 -0.572 6.554 . . . 1.0 . . . . . . . . . . . . A . 18 LYS HZ2 . . . . . . . . . c25200_2mu6 1 . 1 . 305 . 1 1 18 LYS N N 9.835 1.174 0.615 . . . 1.0 . . . . . . . . . . . . A . 18 LYS N . . . . . . . . . c25200_2mu6 1 . 1 . 306 . 1 1 18 LYS NZ N 12.595 -1.068 5.669 . . . 1.0 . . . . . . . . . . . . A . 18 LYS NZ . . . . . . . . . c25200_2mu6 1 . 1 . 307 . 1 1 18 LYS O O 11.063 4.385 1.475 . . . 1.0 . . . . . . . . . . . . A . 18 LYS O . . . . . . . . . c25200_2mu6 1 . 1 . 308 . 1 1 19 ILE C C 13.770 3.766 -0.548 . . . 1.0 . . . . . . . . . . . . A . 19 ILE C . . . . . . . . . c25200_2mu6 1 . 1 . 309 . 1 1 19 ILE CA C 13.676 3.353 0.955 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CA . . . . . . . . . c25200_2mu6 1 . 1 . 310 . 1 1 19 ILE CB C 14.936 2.665 1.599 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CB . . . . . . . . . c25200_2mu6 1 . 1 . 311 . 1 1 19 ILE CD1 C 16.229 4.857 2.218 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CD1 . . . . . . . . . c25200_2mu6 1 . 1 . 312 . 1 1 19 ILE CG1 C 16.248 3.499 1.498 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG1 . . . . . . . . . c25200_2mu6 1 . 1 . 313 . 1 1 19 ILE CG2 C 15.214 1.229 1.097 . . . 1.0 . . . . . . . . . . . . A . 19 ILE CG2 . . . . . . . . . c25200_2mu6 1 . 1 . 314 . 1 1 19 ILE H H 12.432 1.579 1.289 . . . 1.0 . . . . . . . . . . . . A . 19 ILE H . . . . . . . . . c25200_2mu6 1 . 1 . 315 . 1 1 19 ILE HA H 13.576 4.278 1.519 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HA . . . . . . . . . c25200_2mu6 1 . 1 . 316 . 1 1 19 ILE HB H 14.718 2.562 2.680 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HB . . . . . . . . . c25200_2mu6 1 . 1 . 317 . 1 1 19 ILE HD11 H 15.493 5.551 1.772 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD11 . . . . . . . . . c25200_2mu6 1 . 1 . 318 . 1 1 19 ILE HD12 H 15.982 4.748 3.290 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD12 . . . . . . . . . c25200_2mu6 1 . 1 . 319 . 1 1 19 ILE HD13 H 17.216 5.351 2.157 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HD13 . . . . . . . . . c25200_2mu6 1 . 1 . 320 . 1 1 19 ILE HG12 H 17.089 2.919 1.923 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG12 . . . . . . . . . c25200_2mu6 1 . 1 . 321 . 1 1 19 ILE HG13 H 16.518 3.658 0.437 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG13 . . . . . . . . . c25200_2mu6 1 . 1 . 322 . 1 1 19 ILE HG21 H 15.529 1.213 0.038 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG21 . . . . . . . . . c25200_2mu6 1 . 1 . 323 . 1 1 19 ILE HG22 H 14.320 0.586 1.189 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG22 . . . . . . . . . c25200_2mu6 1 . 1 . 324 . 1 1 19 ILE HG23 H 16.014 0.747 1.687 . . . 1.0 . . . . . . . . . . . . A . 19 ILE HG23 . . . . . . . . . c25200_2mu6 1 . 1 . 325 . 1 1 19 ILE N N 12.427 2.594 1.222 . . . 1.0 . . . . . . . . . . . . A . 19 ILE N . . . . . . . . . c25200_2mu6 1 . 1 . 326 . 1 1 19 ILE O O 13.760 4.963 -0.849 . . . 1.0 . . . . . . . . . . . . A . 19 ILE O . . . . . . . . . c25200_2mu6 1 . 1 . 327 . 1 1 20 HIS C C 12.434 3.129 -3.495 . . . 1.0 . . . . . . . . . . . . A . 20 HIS C . . . . . . . . . c25200_2mu6 1 . 1 . 328 . 1 1 20 HIS CA C 13.877 3.018 -2.924 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CA . . . . . . . . . c25200_2mu6 1 . 1 . 329 . 1 1 20 HIS CB C 14.729 1.931 -3.600 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CB . . . . . . . . . c25200_2mu6 1 . 1 . 330 . 1 1 20 HIS CD2 C 14.769 1.441 -6.160 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CD2 . . . . . . . . . c25200_2mu6 1 . 1 . 331 . 1 1 20 HIS CE1 C 15.717 3.203 -6.808 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CE1 . . . . . . . . . c25200_2mu6 1 . 1 . 332 . 1 1 20 HIS CG C 15.068 2.254 -5.052 . . . 1.0 . . . . . . . . . . . . A . 20 HIS CG . . . . . . . . . c25200_2mu6 1 . 1 . 333 . 1 1 20 HIS H H 13.936 1.854 -1.070 . . . 1.0 . . . . . . . . . . . . A . 20 HIS H . . . . . . . . . c25200_2mu6 1 . 1 . 334 . 1 1 20 HIS HA H 14.451 3.922 -3.101 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HA . . . . . . . . . c25200_2mu6 1 . 1 . 335 . 1 1 20 HIS HB2 H 15.679 1.779 -3.052 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB2 . . . . . . . . . c25200_2mu6 1 . 1 . 336 . 1 1 20 HIS HB3 H 14.190 0.982 -3.523 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HB3 . . . . . . . . . c25200_2mu6 1 . 1 . 337 . 1 1 20 HIS HD2 H 14.271 0.483 -6.116 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HD2 . . . . . . . . . c25200_2mu6 1 . 1 . 338 . 1 1 20 HIS HE1 H 16.149 3.940 -7.469 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE1 . . . . . . . . . c25200_2mu6 1 . 1 . 339 . 1 1 20 HIS HE2 H 15.121 1.733 -8.299 . . . 1.0 . . . . . . . . . . . . A . 20 HIS HE2 . . . . . . . . . c25200_2mu6 1 . 1 . 340 . 1 1 20 HIS N N 13.828 2.785 -1.467 . . . 1.0 . . . . . . . . . . . . A . 20 HIS N . . . . . . . . . c25200_2mu6 1 . 1 . 341 . 1 1 20 HIS ND1 N 15.695 3.428 -5.453 . . . 1.0 . . . . . . . . . . . . A . 20 HIS ND1 . . . . . . . . . c25200_2mu6 1 . 1 . 342 . 1 1 20 HIS NE2 N 15.191 2.049 -7.325 . . . 1.0 . . . . . . . . . . . . A . 20 HIS NE2 . . . . . . . . . c25200_2mu6 1 . 1 . 343 . 1 1 20 HIS O O 11.654 2.175 -3.482 . . . 1.0 . . . . . . . . . . . . A . 20 HIS O . . . . . . . . . c25200_2mu6 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 c25200_2mu6 _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 2mu6.mr . . 'MR format' 1 comment 'Not applicable' 'Not applicable' 0 c25200_2mu6 1 1 2mu6.mr . . DISCOVER 2 stereochemistry prochirality 'Not applicable' 0 c25200_2mu6 1 1 2mu6.mr . . DISCOVER 3 stereochemistry prochirality 'Not applicable' 0 c25200_2mu6 1 1 2mu6.mr . . DISCOVER 4 distance NOE simple 184 c25200_2mu6 1 1 2mu6.mr . . DISCOVER 5 'dihedral angle' 'Not applicable' 'Not applicable' 19 c25200_2mu6 1 1 2mu6.mr . . 'MR format' 6 'nomenclature mapping' 'Not applicable' 'Not applicable' 0 c25200_2mu6 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 c25200_2mu6 _Gen_dist_constraint_list.ID 1 _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 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 . . . . c25200_2mu6 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 SER H H . . . 1 1 2 2 SER HA H . . . . . 2.8 1.8 2.8 . . . . . A . 2 SER H . . A . 2 SER HA . 1 . 2 SER HN . . . 1 . 2 SER HA . . c25200_2mu6 1 2 1 . . 1 1 3 3 MET H H . . . 1 1 3 3 MET HA H . . . . . 2.8 1.8 2.8 . . . . . A . 3 MET H . . A . 3 MET HA . 1 . 3 MET HN . . . 1 . 3 MET HA . . c25200_2mu6 1 3 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ILE H . . A . 4 ILE HA . 1 . 4 ILE HN . . . 1 . 4 ILE HA . . c25200_2mu6 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 . . c25200_2mu6 1 5 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA HA H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ALA H . . A . 6 ALA HA . 1 . 6 ALA HN . . . 1 . 6 ALA HA . . c25200_2mu6 1 6 1 . . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HA H . . . . . 3.5 2.8 3.5 . . . . . A . 7 TYR H . . A . 7 TYR HA . 1 . 7 TYR HN . . . 1 . 7 TYR HA . . c25200_2mu6 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 . . c25200_2mu6 1 8 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ASP H . . A . 9 ASP HA . 1 . 9 ASP HN . . . 1 . 9 ASP HA . . c25200_2mu6 1 9 1 . . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 10 LYS H . . A . 10 LYS HA . 1 . 10 LYS HN . . . 1 . 10 LYS HA . . c25200_2mu6 1 10 1 . . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 11 LEU H . . A . 11 LEU HA . 1 . 11 LEU HN . . . 1 . 11 LEU HA . . c25200_2mu6 1 11 1 . . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HA H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP H . . A . 12 ASP HA . 1 . 12 ASP HN . . . 1 . 12 ASP HA . . c25200_2mu6 1 12 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 13 LEU H . . A . 13 LEU HA . 1 . 13 LEU HN . . . 1 . 13 LEU HA . . c25200_2mu6 1 13 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HA H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLU H . . A . 14 GLU HA . 1 . 14 GLU HN . . . 1 . 14 GLU HA . . c25200_2mu6 1 14 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HA H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR H . . A . 15 THR HA . 1 . 15 THR HN . . . 1 . 15 THR HA . . c25200_2mu6 1 15 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HA H . . . . . 2.8 1.8 2.8 . . . . . A . 16 VAL H . . A . 16 VAL HA . 1 . 16 VAL HN . . . 1 . 16 VAL HA . . c25200_2mu6 1 16 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HA H . . . . . 2.8 1.8 2.8 . . . . . A . 17 ARG H . . A . 17 ARG HA . 1 . 17 ARG HN . . . 1 . 17 ARG HA . . c25200_2mu6 1 17 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HA . 1 . 18 LYS HN . . . 1 . 18 LYS HA . . c25200_2mu6 1 18 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HA H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ILE H . . A . 19 ILE HA . 1 . 19 ILE HN . . . 1 . 19 ILE HA . . c25200_2mu6 1 19 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HA H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS H . . A . 20 HIS HA . 1 . 20 HIS HN . . . 1 . 20 HIS HA . . c25200_2mu6 1 20 1 . . 1 1 1 1 LYS HA H . . . 1 1 2 2 SER H H . . . . . 2.8 1.8 2.8 . . . . . A . 1 LYS HA . . A . 2 SER H . 1 . 1 LYS HA . . . 1 . 2 SER HN . . c25200_2mu6 1 21 1 . . 1 1 2 2 SER HA H . . . 1 1 3 3 MET H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 SER HA . . A . 3 MET H . 1 . 2 SER HA . . . 1 . 3 MET HN . . c25200_2mu6 1 22 1 . . 1 1 3 3 MET HA H . . . 1 1 4 4 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 3 MET HA . . A . 4 ILE H . 1 . 3 MET HA . . . 1 . 4 ILE HN . . c25200_2mu6 1 23 1 . . 1 1 4 4 ILE HA H . . . 1 1 5 5 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ILE HA . . A . 5 ASN H . 1 . 4 ILE HA . . . 1 . 5 ASN HN . . c25200_2mu6 1 24 1 . . 1 1 5 5 ASN HA H . . . 1 1 6 6 ALA H H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ASN HA . . A . 6 ALA H . 1 . 5 ASN HA . . . 1 . 6 ALA HN . . c25200_2mu6 1 25 1 . . 1 1 6 6 ALA HA H . . . 1 1 7 7 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ALA HA . . A . 7 TYR H . 1 . 6 ALA HA . . . 1 . 7 TYR HN . . c25200_2mu6 1 26 1 . . 1 1 7 7 TYR HA H . . . 1 1 8 8 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 7 TYR HA . . A . 8 LEU H . 1 . 7 TYR HA . . . 1 . 8 LEU HN . . c25200_2mu6 1 27 1 . . 1 1 8 8 LEU HA H . . . 1 1 9 9 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU HA . . A . 9 ASP H . 1 . 8 LEU HA . . . 1 . 9 ASP HN . . c25200_2mu6 1 28 1 . . 1 1 9 9 ASP HA H . . . 1 1 10 10 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ASP HA . . A . 10 LYS H . 1 . 9 ASP HA . . . 1 . 10 LYS HN . . c25200_2mu6 1 29 1 . . 1 1 10 10 LYS HA H . . . 1 1 11 11 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 LYS HA . . A . 11 LEU H . 1 . 10 LYS HA . . . 1 . 11 LEU HN . . c25200_2mu6 1 30 1 . . 1 1 11 11 LEU HA H . . . 1 1 12 12 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 LEU HA . . A . 12 ASP H . 1 . 11 LEU HA . . . 1 . 12 ASP HN . . c25200_2mu6 1 31 1 . . 1 1 12 12 ASP HA H . . . 1 1 13 13 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASP HA . . A . 13 LEU H . 1 . 12 ASP HA . . . 1 . 13 LEU HN . . c25200_2mu6 1 32 1 . . 1 1 13 13 LEU HA H . . . 1 1 14 14 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LEU HA . . A . 14 GLU H . 1 . 13 LEU HA . . . 1 . 14 GLU HN . . c25200_2mu6 1 33 1 . . 1 1 14 14 GLU HA H . . . 1 1 15 15 THR H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLU HA . . A . 15 THR H . 1 . 14 GLU HA . . . 1 . 15 THR HN . . c25200_2mu6 1 34 1 . . 1 1 15 15 THR HA H . . . 1 1 16 16 VAL H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR HA . . A . 16 VAL H . 1 . 15 THR HA . . . 1 . 16 VAL HN . . c25200_2mu6 1 35 1 . . 1 1 16 16 VAL HA H . . . 1 1 17 17 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 16 VAL HA . . A . 17 ARG H . 1 . 16 VAL HA . . . 1 . 17 ARG HN . . c25200_2mu6 1 36 1 . . 1 1 17 17 ARG HA H . . . 1 1 18 18 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 ARG HA . . A . 18 LYS H . 1 . 17 ARG HA . . . 1 . 18 LYS HN . . c25200_2mu6 1 37 1 . . 1 1 18 18 LYS HA H . . . 1 1 19 19 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 LYS HA . . A . 19 ILE H . 1 . 18 LYS HA . . . 1 . 19 ILE HN . . c25200_2mu6 1 38 1 . . 1 1 19 19 ILE HA H . . . 1 1 20 20 HIS H H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ILE HA . . A . 20 HIS H . 1 . 19 ILE HA . . . 1 . 20 HIS HN . . c25200_2mu6 1 39 1 . . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 1 LYS HA . . A . 1 LYS HB2 . 1 . 1 LYS HA . . . 1 . 1 LYS HBR . . c25200_2mu6 1 40 1 . . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 1 LYS HA . . A . 1 LYS HB3 . 1 . 1 LYS HA . . . 1 . 1 LYS HBS . . c25200_2mu6 1 41 1 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HD2 . 1 . 1 LYS HA . . . 1 . 1 LYS HD* . . c25200_2mu6 1 41 2 OR . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 1 LYS HA . . A . 1 LYS HD3 . 1 . 1 LYS HA . . . 1 . 1 LYS HD* . . c25200_2mu6 1 42 1 . . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 1 LYS HA . . A . 1 LYS HG2 . 1 . 1 LYS HA . . . 1 . 1 LYS HGR . . c25200_2mu6 1 43 1 . . 1 1 1 1 LYS HA H . . . 1 1 1 1 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 1 LYS HA . . A . 1 LYS HG3 . 1 . 1 LYS HA . . . 1 . 1 LYS HGS . . c25200_2mu6 1 44 1 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 SER H . . A . 2 SER HB2 . 1 . 2 SER HN . . . 1 . 2 SER HB* . . c25200_2mu6 1 44 2 OR . 1 1 2 2 SER H H . . . 1 1 2 2 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 SER H . . A . 2 SER HB3 . 1 . 2 SER HN . . . 1 . 2 SER HB* . . c25200_2mu6 1 45 1 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 SER HA . . A . 2 SER HB2 . 1 . 2 SER HA . . . 1 . 2 SER HB* . . c25200_2mu6 1 45 2 OR . 1 1 2 2 SER HA H . . . 1 1 2 2 SER HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 2 SER HA . . A . 2 SER HB3 . 1 . 2 SER HA . . . 1 . 2 SER HB* . . c25200_2mu6 1 46 1 OR . 1 1 3 3 MET H H . . . 1 1 3 3 MET HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 MET H . . A . 3 MET HB2 . 1 . 3 MET HN . . . 1 . 3 MET HB* . . c25200_2mu6 1 46 2 OR . 1 1 3 3 MET H H . . . 1 1 3 3 MET HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 MET H . . A . 3 MET HB3 . 1 . 3 MET HN . . . 1 . 3 MET HB* . . c25200_2mu6 1 47 1 . . 1 1 3 3 MET H H . . . 1 1 3 3 MET HG2 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 MET H . . A . 3 MET HG2 . 1 . 3 MET HN . . . 1 . 3 MET HGS . . c25200_2mu6 1 48 1 . . 1 1 3 3 MET H H . . . 1 1 3 3 MET HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 MET H . . A . 3 MET HG3 . 1 . 3 MET HN . . . 1 . 3 MET HGR . . c25200_2mu6 1 49 1 OR . 1 1 3 3 MET HA H . . . 1 1 3 3 MET HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 MET HA . . A . 3 MET HB2 . 1 . 3 MET HA . . . 1 . 3 MET HB* . . c25200_2mu6 1 49 2 OR . 1 1 3 3 MET HA H . . . 1 1 3 3 MET HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 3 MET HA . . A . 3 MET HB3 . 1 . 3 MET HA . . . 1 . 3 MET HB* . . c25200_2mu6 1 50 1 . . 1 1 3 3 MET HA H . . . 1 1 3 3 MET HG2 H . . . . . 2.8 1.8 2.8 . . . . . A . 3 MET HA . . A . 3 MET HG2 . 1 . 3 MET HA . . . 1 . 3 MET HGS . . c25200_2mu6 1 51 1 . . 1 1 3 3 MET HA H . . . 1 1 3 3 MET HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 3 MET HA . . A . 3 MET HG3 . 1 . 3 MET HA . . . 1 . 3 MET HGR . . c25200_2mu6 1 52 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ILE H . . A . 4 ILE HB . 1 . 4 ILE HN . . . 1 . 4 ILE HB . . c25200_2mu6 1 53 1 . . 1 1 4 4 ILE H H . . . 1 1 4 4 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ILE H . . A . 4 ILE MG . 1 . 4 ILE HN . . . 1 . 4 ILE HG2* . . c25200_2mu6 1 54 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ILE HA . . A . 4 ILE HB . 1 . 4 ILE HA . . . 1 . 4 ILE HB . . c25200_2mu6 1 55 1 . . 1 1 4 4 ILE HA H . . . 1 1 4 4 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ILE HA . . A . 4 ILE MG . 1 . 4 ILE HA . . . 1 . 4 ILE HG2* . . c25200_2mu6 1 56 1 . . 1 1 5 5 ASN H H . . . 1 1 5 5 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 5 ASN H . . A . 5 ASN HB2 . 1 . 5 ASN HN . . . 1 . 5 ASN HBS . . c25200_2mu6 1 57 1 . . 1 1 5 5 ASN H H . . . 1 1 5 5 ASN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN H . . A . 5 ASN HB3 . 1 . 5 ASN HN . . . 1 . 5 ASN HBR . . c25200_2mu6 1 58 1 . . 1 1 5 5 ASN HA H . . . 1 1 5 5 ASN HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN HA . . A . 5 ASN HB2 . 1 . 5 ASN HA . . . 1 . 5 ASN HBS . . c25200_2mu6 1 59 1 . . 1 1 5 5 ASN HA H . . . 1 1 5 5 ASN HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN HA . . A . 5 ASN HB3 . 1 . 5 ASN HA . . . 1 . 5 ASN HBR . . c25200_2mu6 1 60 1 . . 1 1 6 6 ALA H H . . . 1 1 6 6 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ALA H . . A . 6 ALA MB . 1 . 6 ALA HN . . . 1 . 6 ALA HB* . . c25200_2mu6 1 61 1 . . 1 1 6 6 ALA HA H . . . 1 1 6 6 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 6 ALA HA . . A . 6 ALA MB . 1 . 6 ALA HA . . . 1 . 6 ALA HB* . . c25200_2mu6 1 62 1 OR . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 TYR H . . A . 7 TYR HB2 . 1 . 7 TYR HN . . . 1 . 7 TYR HB* . . c25200_2mu6 1 62 2 OR . 1 1 7 7 TYR H H . . . 1 1 7 7 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 TYR H . . A . 7 TYR HB3 . 1 . 7 TYR HN . . . 1 . 7 TYR HB* . . c25200_2mu6 1 63 1 OR . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 TYR HA . . A . 7 TYR HB2 . 1 . 7 TYR HA . . . 1 . 7 TYR HB* . . c25200_2mu6 1 63 2 OR . 1 1 7 7 TYR HA H . . . 1 1 7 7 TYR HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 7 TYR HA . . A . 7 TYR HB3 . 1 . 7 TYR HA . . . 1 . 7 TYR HB* . . c25200_2mu6 1 64 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* . . c25200_2mu6 1 64 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* . . c25200_2mu6 1 65 1 . . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 8 LEU H . . A . 8 LEU HG . 1 . 8 LEU HN . . . 1 . 8 LEU HG . . c25200_2mu6 1 66 1 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 2.8 5.9 . . . . . A . 8 LEU H . . A . 8 LEU MD1 . 1 . 8 LEU HN . . . 1 . 8 LEU HD* . . c25200_2mu6 1 66 2 OR . 1 1 8 8 LEU H H . . . 1 1 8 8 LEU MD2 H . . . . . 3.5 2.8 5.9 . . . . . A . 8 LEU H . . A . 8 LEU MD2 . 1 . 8 LEU HN . . . 1 . 8 LEU HD* . . c25200_2mu6 1 67 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* . . c25200_2mu6 1 67 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* . . c25200_2mu6 1 68 1 . . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 8 LEU HA . . A . 8 LEU HG . 1 . 8 LEU HA . . . 1 . 8 LEU HG . . c25200_2mu6 1 69 1 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD1 H . . . . . 3.5 2.8 5.9 . . . . . A . 8 LEU HA . . A . 8 LEU MD1 . 1 . 8 LEU HA . . . 1 . 8 LEU HD* . . c25200_2mu6 1 69 2 OR . 1 1 8 8 LEU HA H . . . 1 1 8 8 LEU MD2 H . . . . . 3.5 2.8 5.9 . . . . . A . 8 LEU HA . . A . 8 LEU MD2 . 1 . 8 LEU HA . . . 1 . 8 LEU HD* . . c25200_2mu6 1 70 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ASP H . . A . 9 ASP HB2 . 1 . 9 ASP HN . . . 1 . 9 ASP HBS . . c25200_2mu6 1 71 1 . . 1 1 9 9 ASP H H . . . 1 1 9 9 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ASP H . . A . 9 ASP HB3 . 1 . 9 ASP HN . . . 1 . 9 ASP HBR . . c25200_2mu6 1 72 1 . . 1 1 9 9 ASP HA H . . . 1 1 9 9 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 9 ASP HA . . A . 9 ASP HB2 . 1 . 9 ASP HA . . . 1 . 9 ASP HBS . . c25200_2mu6 1 73 1 . . 1 1 9 9 ASP HA H . . . 1 1 9 9 ASP HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ASP HA . . A . 9 ASP HB3 . 1 . 9 ASP HA . . . 1 . 9 ASP HBR . . c25200_2mu6 1 74 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HB2 . 1 . 10 LYS HN . . . 1 . 10 LYS HB* . . c25200_2mu6 1 74 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HB3 . 1 . 10 LYS HN . . . 1 . 10 LYS HB* . . c25200_2mu6 1 75 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG2 . 1 . 10 LYS HN . . . 1 . 10 LYS HG* . . c25200_2mu6 1 75 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HG3 . 1 . 10 LYS HN . . . 1 . 10 LYS HG* . . c25200_2mu6 1 76 1 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HD2 . 1 . 10 LYS HN . . . 1 . 10 LYS HD* . . c25200_2mu6 1 76 2 OR . 1 1 10 10 LYS H H . . . 1 1 10 10 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS H . . A . 10 LYS HD3 . 1 . 10 LYS HN . . . 1 . 10 LYS HD* . . c25200_2mu6 1 77 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HB2 . 1 . 10 LYS HA . . . 1 . 10 LYS HB* . . c25200_2mu6 1 77 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HB3 . 1 . 10 LYS HA . . . 1 . 10 LYS HB* . . c25200_2mu6 1 78 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HG2 . 1 . 10 LYS HA . . . 1 . 10 LYS HG* . . c25200_2mu6 1 78 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HG3 . 1 . 10 LYS HA . . . 1 . 10 LYS HG* . . c25200_2mu6 1 79 1 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HD2 . 1 . 10 LYS HA . . . 1 . 10 LYS HD* . . c25200_2mu6 1 79 2 OR . 1 1 10 10 LYS HA H . . . 1 1 10 10 LYS HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 10 LYS HA . . A . 10 LYS HD3 . 1 . 10 LYS HA . . . 1 . 10 LYS HD* . . c25200_2mu6 1 80 1 OR . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LEU H . . A . 11 LEU HB2 . 1 . 11 LEU HN . . . 1 . 11 LEU HB* . . c25200_2mu6 1 80 2 OR . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LEU H . . A . 11 LEU HB3 . 1 . 11 LEU HN . . . 1 . 11 LEU HB* . . c25200_2mu6 1 81 1 . . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 11 LEU H . . A . 11 LEU HG . 1 . 11 LEU HN . . . 1 . 11 LEU HG . . c25200_2mu6 1 82 1 OR . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU MD1 H . . . . . 3.5 2.8 5.9 . . . . . A . 11 LEU H . . A . 11 LEU MD1 . 1 . 11 LEU HN . . . 1 . 11 LEU HD* . . c25200_2mu6 1 82 2 OR . 1 1 11 11 LEU H H . . . 1 1 11 11 LEU MD2 H . . . . . 3.5 2.8 5.9 . . . . . A . 11 LEU H . . A . 11 LEU MD2 . 1 . 11 LEU HN . . . 1 . 11 LEU HD* . . c25200_2mu6 1 83 1 OR . 1 1 11 11 LEU HA H . . . 1 1 11 11 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LEU HA . . A . 11 LEU HB2 . 1 . 11 LEU HA . . . 1 . 11 LEU HB* . . c25200_2mu6 1 83 2 OR . 1 1 11 11 LEU HA H . . . 1 1 11 11 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 11 LEU HA . . A . 11 LEU HB3 . 1 . 11 LEU HA . . . 1 . 11 LEU HB* . . c25200_2mu6 1 84 1 . . 1 1 11 11 LEU HA H . . . 1 1 11 11 LEU HG H . . . . . 2.8 1.8 2.8 . . . . . A . 11 LEU HA . . A . 11 LEU HG . 1 . 11 LEU HA . . . 1 . 11 LEU HG . . c25200_2mu6 1 85 1 OR . 1 1 11 11 LEU HA H . . . 1 1 11 11 LEU MD1 H . . . . . 3.5 2.8 5.9 . . . . . A . 11 LEU HA . . A . 11 LEU MD1 . 1 . 11 LEU HA . . . 1 . 11 LEU HD* . . c25200_2mu6 1 85 2 OR . 1 1 11 11 LEU HA H . . . 1 1 11 11 LEU MD2 H . . . . . 3.5 2.8 5.9 . . . . . A . 11 LEU HA . . A . 11 LEU MD2 . 1 . 11 LEU HA . . . 1 . 11 LEU HD* . . c25200_2mu6 1 86 1 . . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP H . . A . 12 ASP HB2 . 1 . 12 ASP HN . . . 1 . 12 ASP HBS . . c25200_2mu6 1 87 1 . . 1 1 12 12 ASP H H . . . 1 1 12 12 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP H . . A . 12 ASP HB3 . 1 . 12 ASP HN . . . 1 . 12 ASP HBR . . c25200_2mu6 1 88 1 . . 1 1 12 12 ASP HA H . . . 1 1 12 12 ASP HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP HA . . A . 12 ASP HB2 . 1 . 12 ASP HA . . . 1 . 12 ASP HBS . . c25200_2mu6 1 89 1 . . 1 1 12 12 ASP HA H . . . 1 1 12 12 ASP HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASP HA . . A . 12 ASP HB3 . 1 . 12 ASP HA . . . 1 . 12 ASP HBR . . c25200_2mu6 1 90 1 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LEU H . . A . 13 LEU HB2 . 1 . 13 LEU HN . . . 1 . 13 LEU HB* . . c25200_2mu6 1 90 2 OR . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LEU H . . A . 13 LEU HB3 . 1 . 13 LEU HN . . . 1 . 13 LEU HB* . . c25200_2mu6 1 91 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 LEU H . . A . 13 LEU MD1 . 1 . 13 LEU HN . . . 1 . 13 LEU HDR* . . c25200_2mu6 1 92 1 . . 1 1 13 13 LEU H H . . . 1 1 13 13 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 LEU H . . A . 13 LEU MD2 . 1 . 13 LEU HN . . . 1 . 13 LEU HDS* . . c25200_2mu6 1 93 1 OR . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LEU HA . . A . 13 LEU HB2 . 1 . 13 LEU HA . . . 1 . 13 LEU HB* . . c25200_2mu6 1 93 2 OR . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 13 LEU HA . . A . 13 LEU HB3 . 1 . 13 LEU HA . . . 1 . 13 LEU HB* . . c25200_2mu6 1 94 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU MD1 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 LEU HA . . A . 13 LEU MD1 . 1 . 13 LEU HA . . . 1 . 13 LEU HDR* . . c25200_2mu6 1 95 1 . . 1 1 13 13 LEU HA H . . . 1 1 13 13 LEU MD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 13 LEU HA . . A . 13 LEU MD2 . 1 . 13 LEU HA . . . 1 . 13 LEU HDS* . . c25200_2mu6 1 96 1 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 GLU H . . A . 14 GLU HG2 . 1 . 14 GLU HN . . . 1 . 14 GLU HG* . . c25200_2mu6 1 96 2 OR . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 GLU H . . A . 14 GLU HG3 . 1 . 14 GLU HN . . . 1 . 14 GLU HG* . . c25200_2mu6 1 97 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLU H . . A . 14 GLU HB2 . 1 . 14 GLU HN . . . 1 . 14 GLU HBR . . c25200_2mu6 1 98 1 . . 1 1 14 14 GLU H H . . . 1 1 14 14 GLU HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLU H . . A . 14 GLU HB3 . 1 . 14 GLU HN . . . 1 . 14 GLU HBS . . c25200_2mu6 1 99 1 . . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLU HA . . A . 14 GLU HB2 . 1 . 14 GLU HA . . . 1 . 14 GLU HBR . . c25200_2mu6 1 100 1 . . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLU HA . . A . 14 GLU HB3 . 1 . 14 GLU HA . . . 1 . 14 GLU HBS . . c25200_2mu6 1 101 1 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 GLU HA . . A . 14 GLU HG2 . 1 . 14 GLU HA . . . 1 . 14 GLU HG* . . c25200_2mu6 1 101 2 OR . 1 1 14 14 GLU HA H . . . 1 1 14 14 GLU HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 14 GLU HA . . A . 14 GLU HG3 . 1 . 14 GLU HA . . . 1 . 14 GLU HG* . . c25200_2mu6 1 102 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR HB H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR H . . A . 15 THR HB . 1 . 15 THR HN . . . 1 . 15 THR HB . . c25200_2mu6 1 103 1 . . 1 1 15 15 THR H H . . . 1 1 15 15 THR MG H . . . . . 2.8 1.8 3.8 . . . . . A . 15 THR H . . A . 15 THR MG . 1 . 15 THR HN . . . 1 . 15 THR HG2* . . c25200_2mu6 1 104 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR HB H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR HA . . A . 15 THR HB . 1 . 15 THR HA . . . 1 . 15 THR HB . . c25200_2mu6 1 105 1 . . 1 1 15 15 THR HA H . . . 1 1 15 15 THR MG H . . . . . 2.8 1.8 3.8 . . . . . A . 15 THR HA . . A . 15 THR MG . 1 . 15 THR HA . . . 1 . 15 THR HG2* . . c25200_2mu6 1 106 1 . . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL HB H . . . . . 3.5 2.8 3.5 . . . . . A . 16 VAL H . . A . 16 VAL HB . 1 . 16 VAL HN . . . 1 . 16 VAL HB . . c25200_2mu6 1 107 1 OR . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG1 H . . . . . 2.8 1.8 5.2 . . . . . A . 16 VAL H . . A . 16 VAL MG1 . 1 . 16 VAL HN . . . 1 . 16 VAL HG* . . c25200_2mu6 1 107 2 OR . 1 1 16 16 VAL H H . . . 1 1 16 16 VAL MG2 H . . . . . 2.8 1.8 5.2 . . . . . A . 16 VAL H . . A . 16 VAL MG2 . 1 . 16 VAL HN . . . 1 . 16 VAL HG* . . c25200_2mu6 1 108 1 . . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL HB H . . . . . 2.8 1.8 2.8 . . . . . A . 16 VAL HA . . A . 16 VAL HB . 1 . 16 VAL HA . . . 1 . 16 VAL HB . . c25200_2mu6 1 109 1 OR . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG1 H . . . . . 3.5 2.8 5.9 . . . . . A . 16 VAL HA . . A . 16 VAL MG1 . 1 . 16 VAL HA . . . 1 . 16 VAL HG* . . c25200_2mu6 1 109 2 OR . 1 1 16 16 VAL HA H . . . 1 1 16 16 VAL MG2 H . . . . . 3.5 2.8 5.9 . . . . . A . 16 VAL HA . . A . 16 VAL MG2 . 1 . 16 VAL HA . . . 1 . 16 VAL HG* . . c25200_2mu6 1 110 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 ARG H . . A . 17 ARG HB2 . 1 . 17 ARG HN . . . 1 . 17 ARG HBR . . c25200_2mu6 1 111 1 . . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 17 ARG H . . A . 17 ARG HB3 . 1 . 17 ARG HN . . . 1 . 17 ARG HBS . . c25200_2mu6 1 112 1 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG H . . A . 17 ARG HG2 . 1 . 17 ARG HN . . . 1 . 17 ARG HG* . . c25200_2mu6 1 112 2 OR . 1 1 17 17 ARG H H . . . 1 1 17 17 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG H . . A . 17 ARG HG3 . 1 . 17 ARG HN . . . 1 . 17 ARG HG* . . c25200_2mu6 1 113 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 ARG HA . . A . 17 ARG HB2 . 1 . 17 ARG HA . . . 1 . 17 ARG HBR . . c25200_2mu6 1 114 1 . . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 17 ARG HA . . A . 17 ARG HB3 . 1 . 17 ARG HA . . . 1 . 17 ARG HBS . . c25200_2mu6 1 115 1 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HG2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG HA . . A . 17 ARG HG2 . 1 . 17 ARG HA . . . 1 . 17 ARG HG* . . c25200_2mu6 1 115 2 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HG3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG HA . . A . 17 ARG HG3 . 1 . 17 ARG HA . . . 1 . 17 ARG HG* . . c25200_2mu6 1 116 1 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HD2 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG HA . . A . 17 ARG HD2 . 1 . 17 ARG HA . . . 1 . 17 ARG HD* . . c25200_2mu6 1 116 2 OR . 1 1 17 17 ARG HA H . . . 1 1 17 17 ARG HD3 H . . . . . 2.8 1.8 3.8 . . . . . A . 17 ARG HA . . A . 17 ARG HD3 . 1 . 17 ARG HA . . . 1 . 17 ARG HD* . . c25200_2mu6 1 117 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 LYS H . . A . 18 LYS HB2 . 1 . 18 LYS HN . . . 1 . 18 LYS HB* . . c25200_2mu6 1 117 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 LYS H . . A . 18 LYS HB3 . 1 . 18 LYS HN . . . 1 . 18 LYS HB* . . c25200_2mu6 1 118 1 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 LYS H . . A . 18 LYS HD2 . 1 . 18 LYS HN . . . 1 . 18 LYS HD* . . c25200_2mu6 1 118 2 OR . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 LYS H . . A . 18 LYS HD3 . 1 . 18 LYS HN . . . 1 . 18 LYS HD* . . c25200_2mu6 1 119 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 18 LYS H . . A . 18 LYS HG2 . 1 . 18 LYS HN . . . 1 . 18 LYS HGR . . c25200_2mu6 1 120 1 . . 1 1 18 18 LYS H H . . . 1 1 18 18 LYS HG3 H . . . . . 2.8 1.8 2.8 . . . . . A . 18 LYS H . . A . 18 LYS HG3 . 1 . 18 LYS HN . . . 1 . 18 LYS HGS . . c25200_2mu6 1 121 1 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 LYS HA . . A . 18 LYS HB2 . 1 . 18 LYS HA . . . 1 . 18 LYS HB* . . c25200_2mu6 1 121 2 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 18 LYS HA . . A . 18 LYS HB3 . 1 . 18 LYS HA . . . 1 . 18 LYS HB* . . c25200_2mu6 1 122 1 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HD2 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 LYS HA . . A . 18 LYS HD2 . 1 . 18 LYS HA . . . 1 . 18 LYS HD* . . c25200_2mu6 1 122 2 OR . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HD3 H . . . . . 3.5 2.8 4.5 . . . . . A . 18 LYS HA . . A . 18 LYS HD3 . 1 . 18 LYS HA . . . 1 . 18 LYS HD* . . c25200_2mu6 1 123 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HG2 H . . . . . 5.0 3.5 5.0 . . . . . A . 18 LYS HA . . A . 18 LYS HG2 . 1 . 18 LYS HA . . . 1 . 18 LYS HGR . . c25200_2mu6 1 124 1 . . 1 1 18 18 LYS HA H . . . 1 1 18 18 LYS HG3 H . . . . . 3.5 2.8 3.5 . . . . . A . 18 LYS HA . . A . 18 LYS HG3 . 1 . 18 LYS HA . . . 1 . 18 LYS HGS . . c25200_2mu6 1 125 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE HB H . . . . . 3.5 2.8 3.5 . . . . . A . 19 ILE H . . A . 19 ILE HB . 1 . 19 ILE HN . . . 1 . 19 ILE HB . . c25200_2mu6 1 126 1 . . 1 1 19 19 ILE H H . . . 1 1 19 19 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ILE H . . A . 19 ILE MG . 1 . 19 ILE HN . . . 1 . 19 ILE HG2* . . c25200_2mu6 1 127 1 . . 1 1 19 19 ILE HA H . . . 1 1 19 19 ILE HB H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ILE HA . . A . 19 ILE HB . 1 . 19 ILE HA . . . 1 . 19 ILE HB . . c25200_2mu6 1 128 1 . . 1 1 19 19 ILE HA H . . . 1 1 19 19 ILE MG H . . . . . 2.8 1.8 3.8 . . . . . A . 19 ILE HA . . A . 19 ILE MG . 1 . 19 ILE HA . . . 1 . 19 ILE HG2* . . c25200_2mu6 1 129 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS H . . A . 20 HIS HB2 . 1 . 20 HIS HN . . . 1 . 20 HIS HBS . . c25200_2mu6 1 130 1 . . 1 1 20 20 HIS H H . . . 1 1 20 20 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS H . . A . 20 HIS HB3 . 1 . 20 HIS HN . . . 1 . 20 HIS HBR . . c25200_2mu6 1 131 1 . . 1 1 20 20 HIS HA H . . . 1 1 20 20 HIS HB2 H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS HA . . A . 20 HIS HB2 . 1 . 20 HIS HA . . . 1 . 20 HIS HBS . . c25200_2mu6 1 132 1 . . 1 1 20 20 HIS HA H . . . 1 1 20 20 HIS HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 20 HIS HA . . A . 20 HIS HB3 . 1 . 20 HIS HA . . . 1 . 20 HIS HBR . . c25200_2mu6 1 133 1 . . 1 1 2 2 SER H H . . . 1 1 3 3 MET H H . . . . . 2.8 1.8 2.8 . . . . . A . 2 SER H . . A . 3 MET H . 1 . 2 SER HN . . . 1 . 3 MET HN . . c25200_2mu6 1 134 1 . . 1 1 3 3 MET H H . . . 1 1 4 4 ILE H H . . . . . 2.8 1.8 2.8 . . . . . A . 3 MET H . . A . 4 ILE H . 1 . 3 MET HN . . . 1 . 4 ILE HN . . c25200_2mu6 1 135 1 . . 1 1 4 4 ILE H H . . . 1 1 5 5 ASN H H . . . . . 2.8 1.8 2.8 . . . . . A . 4 ILE H . . A . 5 ASN H . 1 . 4 ILE HN . . . 1 . 5 ASN HN . . c25200_2mu6 1 136 1 . . 1 1 5 5 ASN H H . . . 1 1 6 6 ALA H H . . . . . 2.8 1.8 2.8 . . . . . A . 5 ASN H . . A . 6 ALA H . 1 . 5 ASN HN . . . 1 . 6 ALA HN . . c25200_2mu6 1 137 1 . . 1 1 6 6 ALA H H . . . 1 1 7 7 TYR H H . . . . . 2.8 1.8 2.8 . . . . . A . 6 ALA H . . A . 7 TYR H . 1 . 6 ALA HN . . . 1 . 7 TYR HN . . c25200_2mu6 1 138 1 . . 1 1 7 7 TYR H H . . . 1 1 8 8 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 7 TYR H . . A . 8 LEU H . 1 . 7 TYR HN . . . 1 . 8 LEU HN . . c25200_2mu6 1 139 1 . . 1 1 8 8 LEU H H . . . 1 1 9 9 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU H . . A . 9 ASP H . 1 . 8 LEU HN . . . 1 . 9 ASP HN . . c25200_2mu6 1 140 1 . . 1 1 9 9 ASP H H . . . 1 1 10 10 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 9 ASP H . . A . 10 LYS H . 1 . 9 ASP HN . . . 1 . 10 LYS HN . . c25200_2mu6 1 141 1 . . 1 1 10 10 LYS H H . . . 1 1 11 11 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 LYS H . . A . 11 LEU H . 1 . 10 LYS HN . . . 1 . 11 LEU HN . . c25200_2mu6 1 142 1 . . 1 1 11 11 LEU H H . . . 1 1 12 12 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 11 LEU H . . A . 12 ASP H . 1 . 11 LEU HN . . . 1 . 12 ASP HN . . c25200_2mu6 1 143 1 . . 1 1 12 12 ASP H H . . . 1 1 13 13 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP H . . A . 13 LEU H . 1 . 12 ASP HN . . . 1 . 13 LEU HN . . c25200_2mu6 1 144 1 . . 1 1 13 13 LEU H H . . . 1 1 14 14 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 13 LEU H . . A . 14 GLU H . 1 . 13 LEU HN . . . 1 . 14 GLU HN . . c25200_2mu6 1 145 1 . . 1 1 14 14 GLU H H . . . 1 1 15 15 THR H H . . . . . 2.8 1.8 2.8 . . . . . A . 14 GLU H . . A . 15 THR H . 1 . 14 GLU HN . . . 1 . 15 THR HN . . c25200_2mu6 1 146 1 . . 1 1 15 15 THR H H . . . 1 1 16 16 VAL H H . . . . . 2.8 1.8 2.8 . . . . . A . 15 THR H . . A . 16 VAL H . 1 . 15 THR HN . . . 1 . 16 VAL HN . . c25200_2mu6 1 147 1 . . 1 1 16 16 VAL H H . . . 1 1 17 17 ARG H H . . . . . 2.8 1.8 2.8 . . . . . A . 16 VAL H . . A . 17 ARG H . 1 . 16 VAL HN . . . 1 . 17 ARG HN . . c25200_2mu6 1 148 1 . . 1 1 17 17 ARG H H . . . 1 1 18 18 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 17 ARG H . . A . 18 LYS H . 1 . 17 ARG HN . . . 1 . 18 LYS HN . . c25200_2mu6 1 149 1 . . 1 1 18 18 LYS H H . . . 1 1 19 19 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 18 LYS H . . A . 19 ILE H . 1 . 18 LYS HN . . . 1 . 19 ILE HN . . c25200_2mu6 1 150 1 . . 1 1 19 19 ILE H H . . . 1 1 20 20 HIS H H . . . . . 2.8 1.8 2.8 . . . . . A . 19 ILE H . . A . 20 HIS H . 1 . 19 ILE HN . . . 1 . 20 HIS HN . . c25200_2mu6 1 151 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 ASN HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ALA H . . A . 5 ASN HB2 . 1 . 6 ALA HN . . . 1 . 5 ASN HBS . . c25200_2mu6 1 152 1 . . 1 1 6 6 ALA H H . . . 1 1 5 5 ASN HB3 H . . . . . 3.5 2.8 3.5 . . . . . A . 6 ALA H . . A . 5 ASN HB3 . 1 . 6 ALA HN . . . 1 . 5 ASN HBR . . c25200_2mu6 1 153 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP HB2 H . . . . . 3.5 2.8 3.5 . . . . . A . 10 LYS H . . A . 9 ASP HB2 . 1 . 10 LYS HN . . . 1 . 9 ASP HBS . . c25200_2mu6 1 154 1 . . 1 1 10 10 LYS H H . . . 1 1 9 9 ASP HB3 H . . . . . 2.8 1.8 2.8 . . . . . A . 10 LYS H . . A . 9 ASP HB3 . 1 . 10 LYS HN . . . 1 . 9 ASP HBR . . c25200_2mu6 1 155 1 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 MET HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ILE H . . A . 3 MET HB2 . 1 . 4 ILE HN . . . 1 . 3 MET HB* . . c25200_2mu6 1 155 2 OR . 1 1 4 4 ILE H H . . . 1 1 3 3 MET HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 4 ILE H . . A . 3 MET HB3 . 1 . 4 ILE HN . . . 1 . 3 MET HB* . . c25200_2mu6 1 156 1 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 LEU HB2 H . . . . . 2.8 1.8 3.8 . . . . . A . 9 ASP H . . A . 8 LEU HB2 . 1 . 9 ASP HN . . . 1 . 8 LEU HB* . . c25200_2mu6 1 156 2 OR . 1 1 9 9 ASP H H . . . 1 1 8 8 LEU HB3 H . . . . . 2.8 1.8 3.8 . . . . . A . 9 ASP H . . A . 8 LEU HB3 . 1 . 9 ASP HN . . . 1 . 8 LEU HB* . . c25200_2mu6 1 157 1 . . 1 1 7 7 TYR H H . . . 1 1 6 6 ALA MB H . . . . . 2.8 1.8 3.8 . . . . . A . 7 TYR H . . A . 6 ALA MB . 1 . 7 TYR HN . . . 1 . 6 ALA HB* . . c25200_2mu6 1 158 1 . . 1 1 1 1 LYS HA H . . . 1 1 4 4 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 1 LYS HA . . A . 4 ILE H . 1 . 1 LYS HA . . . 1 . 4 ILE HN . . c25200_2mu6 1 159 1 . . 1 1 2 2 SER HA H . . . 1 1 5 5 ASN H H . . . . . 5.0 3.5 5.0 . . . . . A . 2 SER HA . . A . 5 ASN H . 1 . 2 SER HA . . . 1 . 5 ASN HN . . c25200_2mu6 1 160 1 . . 1 1 3 3 MET HA H . . . 1 1 6 6 ALA H H . . . . . 5.0 3.5 5.0 . . . . . A . 3 MET HA . . A . 6 ALA H . 1 . 3 MET HA . . . 1 . 6 ALA HN . . c25200_2mu6 1 161 1 . . 1 1 4 4 ILE HA H . . . 1 1 7 7 TYR H H . . . . . 3.5 2.8 3.5 . . . . . A . 4 ILE HA . . A . 7 TYR H . 1 . 4 ILE HA . . . 1 . 7 TYR HN . . c25200_2mu6 1 162 1 . . 1 1 8 8 LEU HA H . . . 1 1 11 11 LEU H H . . . . . 2.8 1.8 2.8 . . . . . A . 8 LEU HA . . A . 11 LEU H . 1 . 8 LEU HA . . . 1 . 11 LEU HN . . c25200_2mu6 1 163 1 . . 1 1 8 8 LEU HA H . . . 1 1 12 12 ASP H H . . . . . 3.5 2.8 3.5 . . . . . A . 8 LEU HA . . A . 12 ASP H . 1 . 8 LEU HA . . . 1 . 12 ASP HN . . c25200_2mu6 1 164 1 . . 1 1 10 10 LYS HA H . . . 1 1 13 13 LEU H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 LYS HA . . A . 13 LEU H . 1 . 10 LYS HA . . . 1 . 13 LEU HN . . c25200_2mu6 1 165 1 . . 1 1 12 12 ASP HA H . . . 1 1 15 15 THR H H . . . . . 2.8 1.8 2.8 . . . . . A . 12 ASP HA . . A . 15 THR H . 1 . 12 ASP HA . . . 1 . 15 THR HN . . c25200_2mu6 1 166 1 . . 1 1 14 14 GLU HA H . . . 1 1 17 17 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLU HA . . A . 17 ARG H . 1 . 14 GLU HA . . . 1 . 17 ARG HN . . c25200_2mu6 1 167 1 . . 1 1 1 1 LYS HA H . . . 1 1 5 5 ASN H H . . . . . 3.5 2.8 3.5 . . . . . A . 1 LYS HA . . A . 5 ASN H . 1 . 1 LYS HA . . . 1 . 5 ASN HN . . c25200_2mu6 1 168 1 . . 1 1 7 7 TYR HA H . . . 1 1 11 11 LEU H H . . . . . 5.0 3.5 5.0 . . . . . A . 7 TYR HA . . A . 11 LEU H . 1 . 7 TYR HA . . . 1 . 11 LEU HN . . c25200_2mu6 1 169 1 . . 1 1 10 10 LYS HA H . . . 1 1 14 14 GLU H H . . . . . 3.5 2.8 3.5 . . . . . A . 10 LYS HA . . A . 14 GLU H . 1 . 10 LYS HA . . . 1 . 14 GLU HN . . c25200_2mu6 1 170 1 . . 1 1 11 11 LEU HA H . . . 1 1 15 15 THR H H . . . . . 5.0 3.5 5.0 . . . . . A . 11 LEU HA . . A . 15 THR H . 1 . 11 LEU HA . . . 1 . 15 THR HN . . c25200_2mu6 1 171 1 . . 1 1 12 12 ASP HA H . . . 1 1 16 16 VAL H H . . . . . 3.5 2.8 3.5 . . . . . A . 12 ASP HA . . A . 16 VAL H . 1 . 12 ASP HA . . . 1 . 16 VAL HN . . c25200_2mu6 1 172 1 . . 1 1 13 13 LEU HA H . . . 1 1 17 17 ARG H H . . . . . 5.0 3.5 5.0 . . . . . A . 13 LEU HA . . A . 17 ARG H . 1 . 13 LEU HA . . . 1 . 17 ARG HN . . c25200_2mu6 1 173 1 . . 1 1 14 14 GLU HA H . . . 1 1 18 18 LYS H H . . . . . 3.5 2.8 3.5 . . . . . A . 14 GLU HA . . A . 18 LYS H . 1 . 14 GLU HA . . . 1 . 18 LYS HN . . c25200_2mu6 1 174 1 . . 1 1 2 2 SER H H . . . 1 1 4 4 ILE H H . . . . . 3.5 2.8 3.5 . . . . . A . 2 SER H . . A . 4 ILE H . 1 . 2 SER HN . . . 1 . 4 ILE HN . . c25200_2mu6 1 175 1 . . 1 1 14 14 GLU H H . . . 1 1 16 16 VAL H H . . . . . 5.0 3.5 5.0 . . . . . A . 14 GLU H . . A . 16 VAL H . 1 . 14 GLU HN . . . 1 . 16 VAL HN . . c25200_2mu6 1 176 1 . . 1 1 15 15 THR H H . . . 1 1 17 17 ARG H H . . . . . 3.5 2.8 3.5 . . . . . A . 15 THR H . . A . 17 ARG H . 1 . 15 THR HN . . . 1 . 17 ARG HN . . c25200_2mu6 1 177 1 . . 1 1 16 16 VAL H H . . . 1 1 18 18 LYS H H . . . . . 5.0 3.5 5.0 . . . . . A . 16 VAL H . . A . 18 LYS H . 1 . 16 VAL HN . . . 1 . 18 LYS HN . . c25200_2mu6 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 4.000000E+02 188 1 188 12 c25200_2mu6 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 c25200_2mu6 1 2 strong: 2 87 2 101 c25200_2mu6 1 3 strong: 3 87 3 102 c25200_2mu6 1 4 strong: 4 87 4 107 c25200_2mu6 1 5 strong: 5 87 5 108 c25200_2mu6 1 6 strong: 6 87 6 95 c25200_2mu6 1 7 strong: 7 87 7 100 c25200_2mu6 1 8 medium: 8 87 8 107 c25200_2mu6 1 9 strong: 9 87 9 111 c25200_2mu6 1 10 strong: 10 87 10 94 c25200_2mu6 1 11 strong: 11 87 11 94 c25200_2mu6 1 12 strong: 12 87 12 94 c25200_2mu6 1 13 strong: 13 87 13 94 c25200_2mu6 1 14 strong: 14 87 14 94 c25200_2mu6 1 15 strong: 15 87 15 94 c25200_2mu6 1 16 strong: 16 87 16 94 c25200_2mu6 1 17 strong: 17 87 17 94 c25200_2mu6 1 18 strong: 18 87 18 94 c25200_2mu6 1 19 strong: 19 87 19 94 c25200_2mu6 1 20 strong: 20 87 20 94 c25200_2mu6 1 21 strong: 21 87 21 94 c25200_2mu6 1 22 strong: 22 87 22 95 c25200_2mu6 1 23 medium: 23 87 23 95 c25200_2mu6 1 24 medium: 24 87 24 95 c25200_2mu6 1 25 medium: 25 87 25 95 c25200_2mu6 1 26 medium: 26 87 26 101 c25200_2mu6 1 27 medium: 27 87 27 99 c25200_2mu6 1 28 medium: 28 87 28 99 c25200_2mu6 1 29 medium: 29 87 29 95 c25200_2mu6 1 30 medium: 30 87 30 105 c25200_2mu6 1 31 medium: 31 87 31 110 c25200_2mu6 1 32 medium: 32 87 32 95 c25200_2mu6 1 33 medium: 33 87 33 103 c25200_2mu6 1 34 medium: 34 87 34 95 c25200_2mu6 1 35 medium: 35 87 35 96 c25200_2mu6 1 36 medium: 36 87 36 95 c25200_2mu6 1 37 medium: 37 87 37 95 c25200_2mu6 1 38 medium: 38 87 38 95 c25200_2mu6 1 39 medium: 39 87 39 95 c25200_2mu6 1 40 medium: 40 87 40 95 c25200_2mu6 1 41 strong: 41 87 41 94 c25200_2mu6 1 42 strong: 42 87 42 94 c25200_2mu6 1 43 strong: 43 87 43 94 c25200_2mu6 1 44 medium: 44 87 44 95 c25200_2mu6 1 45 medium: 45 87 45 95 c25200_2mu6 1 46 medium: 46 87 46 94 c25200_2mu6 1 47 medium: 47 87 47 94 c25200_2mu6 1 48 medium: 48 87 48 94 c25200_2mu6 1 49 strong: 49 87 49 95 c25200_2mu6 1 50 strong: 50 87 50 95 c25200_2mu6 1 51 strong: 51 87 51 95 c25200_2mu6 1 52 strong: 52 87 52 99 c25200_2mu6 1 53 strong: 53 87 53 95 c25200_2mu6 1 54 medium: 54 87 54 95 c25200_2mu6 1 55 strong: 55 87 55 97 c25200_2mu6 1 56 strong: 56 87 56 95 c25200_2mu6 1 57 strong: 57 87 57 94 c25200_2mu6 1 58 medium: 58 87 58 95 c25200_2mu6 1 59 medium: 59 87 59 95 c25200_2mu6 1 60 strong: 60 87 60 94 c25200_2mu6 1 61 strong: 61 87 61 94 c25200_2mu6 1 62 strong: 62 87 62 94 c25200_2mu6 1 63 medium: 63 87 63 95 c25200_2mu6 1 64 strong: 64 87 64 94 c25200_2mu6 1 65 strong: 65 87 65 94 c25200_2mu6 1 66 strong: 66 87 66 94 c25200_2mu6 1 67 strong: 67 87 67 94 c25200_2mu6 1 68 strong: 68 87 68 94 c25200_2mu6 1 69 strong: 69 87 69 94 c25200_2mu6 1 70 strong: 70 87 70 94 c25200_2mu6 1 71 strong: 71 87 71 94 c25200_2mu6 1 72 strong: 72 87 72 94 c25200_2mu6 1 73 medium: 73 87 73 94 c25200_2mu6 1 74 strong: 74 87 74 94 c25200_2mu6 1 75 strong: 75 87 75 94 c25200_2mu6 1 76 medium: 76 87 76 94 c25200_2mu6 1 77 strong: 77 87 77 94 c25200_2mu6 1 78 strong: 78 87 78 94 c25200_2mu6 1 79 strong: 79 87 79 94 c25200_2mu6 1 80 medium: 80 87 80 95 c25200_2mu6 1 81 strong: 81 87 81 94 c25200_2mu6 1 82 strong: 82 87 82 94 c25200_2mu6 1 83 strong: 83 87 83 94 c25200_2mu6 1 84 strong: 84 87 84 94 c25200_2mu6 1 85 strong: 85 87 85 94 c25200_2mu6 1 86 strong: 86 87 86 94 c25200_2mu6 1 87 strong: 87 87 87 94 c25200_2mu6 1 88 strong: 88 87 88 94 c25200_2mu6 1 89 medium: 89 87 89 94 c25200_2mu6 1 90 strong: 90 87 90 94 c25200_2mu6 1 91 strong: 91 87 91 94 c25200_2mu6 1 92 medium: 92 87 92 94 c25200_2mu6 1 93 strong: 93 87 93 94 c25200_2mu6 1 94 strong: 94 87 94 94 c25200_2mu6 1 95 strong: 95 87 95 94 c25200_2mu6 1 96 medium: 96 87 96 95 c25200_2mu6 1 97 strong: 97 87 97 94 c25200_2mu6 1 98 medium: 98 87 98 94 c25200_2mu6 1 99 medium: 99 87 99 94 c25200_2mu6 1 100 strong: 100 87 100 94 c25200_2mu6 1 101 medium: 101 87 101 95 c25200_2mu6 1 102 medium: 102 87 102 94 c25200_2mu6 1 103 strong: 103 87 103 94 c25200_2mu6 1 104 strong: 104 87 104 94 c25200_2mu6 1 105 medium: 105 87 105 95 c25200_2mu6 1 106 strong: 106 87 106 94 c25200_2mu6 1 107 strong: 107 87 107 94 c25200_2mu6 1 108 strong: 108 87 108 94 c25200_2mu6 1 109 medium: 109 87 109 95 c25200_2mu6 1 110 strong: 110 87 110 95 c25200_2mu6 1 111 strong: 111 87 111 95 c25200_2mu6 1 112 strong: 112 87 112 95 c25200_2mu6 1 113 medium: 113 87 113 94 c25200_2mu6 1 114 strong: 114 87 114 94 c25200_2mu6 1 115 strong: 115 87 115 94 c25200_2mu6 1 116 medium: 116 87 116 94 c25200_2mu6 1 117 medium: 117 87 117 94 c25200_2mu6 1 118 medium: 118 87 118 94 c25200_2mu6 1 119 strong: 119 87 119 94 c25200_2mu6 1 120 strong: 120 87 120 94 c25200_2mu6 1 121 strong: 121 87 121 94 c25200_2mu6 1 122 strong: 122 87 122 94 c25200_2mu6 1 123 strong: 123 87 123 94 c25200_2mu6 1 124 strong: 124 87 124 94 c25200_2mu6 1 125 medium: 125 87 125 94 c25200_2mu6 1 126 weak: 126 87 126 92 c25200_2mu6 1 127 strong: 127 87 127 94 c25200_2mu6 1 128 strong: 128 87 128 94 c25200_2mu6 1 129 medium: 129 87 129 95 c25200_2mu6 1 130 weak: 130 87 130 92 c25200_2mu6 1 131 medium: 131 87 131 94 c25200_2mu6 1 132 medium: 132 87 132 94 c25200_2mu6 1 133 strong: 133 87 133 94 c25200_2mu6 1 134 strong: 134 87 134 94 c25200_2mu6 1 135 strong: 135 87 135 94 c25200_2mu6 1 136 strong: 136 87 136 96 c25200_2mu6 1 137 strong: 137 87 137 96 c25200_2mu6 1 138 strong: 138 87 138 94 c25200_2mu6 1 139 strong: 139 87 139 94 c25200_2mu6 1 140 medium: 140 87 140 95 c25200_2mu6 1 141 strong: 141 87 141 94 c25200_2mu6 1 142 strong: 142 87 142 94 c25200_2mu6 1 143 strong: 143 87 143 94 c25200_2mu6 1 144 strong: 144 87 144 94 c25200_2mu6 1 145 strong: 145 87 145 107 c25200_2mu6 1 146 medium: 146 87 146 94 c25200_2mu6 1 147 medium: 147 87 147 96 c25200_2mu6 1 148 medium: 148 87 148 116 c25200_2mu6 1 149 medium: 149 87 149 95 c25200_2mu6 1 150 medium: 150 87 150 94 c25200_2mu6 1 151 strong: 151 87 151 94 c25200_2mu6 1 152 medium: 152 87 152 96 c25200_2mu6 1 153 strong: 153 87 153 94 c25200_2mu6 1 154 strong: 154 87 154 94 c25200_2mu6 1 155 strong: 155 87 155 94 c25200_2mu6 1 156 medium: 156 87 156 94 c25200_2mu6 1 157 medium: 157 87 157 94 c25200_2mu6 1 158 strong: 158 87 158 94 c25200_2mu6 1 159 medium: 159 87 159 95 c25200_2mu6 1 160 medium: 160 87 160 94 c25200_2mu6 1 161 medium: 161 87 161 94 c25200_2mu6 1 162 strong: 162 87 162 94 c25200_2mu6 1 163 strong: 163 87 163 94 c25200_2mu6 1 164 strong: 164 87 164 94 c25200_2mu6 1 165 strong: 165 87 165 95 c25200_2mu6 1 166 medium: 166 87 166 95 c25200_2mu6 1 167 weak: 167 87 167 92 c25200_2mu6 1 168 weak: 168 87 168 92 c25200_2mu6 1 169 medium: 169 87 169 94 c25200_2mu6 1 170 strong: 170 87 170 94 c25200_2mu6 1 171 medium: 171 87 171 94 c25200_2mu6 1 172 medium: 172 87 172 94 c25200_2mu6 1 173 strong: 173 87 173 94 c25200_2mu6 1 174 medium: 174 87 174 95 c25200_2mu6 1 175 medium: 175 87 175 94 c25200_2mu6 1 176 weak: 176 87 176 92 c25200_2mu6 1 177 medium: 177 87 177 94 c25200_2mu6 1 178 weak: 178 87 178 92 c25200_2mu6 1 179 medium: 179 87 179 94 c25200_2mu6 1 180 weak: 180 87 180 92 c25200_2mu6 1 181 medium: 181 87 181 94 c25200_2mu6 1 182 medium: 182 87 182 94 c25200_2mu6 1 183 weak: 183 87 183 92 c25200_2mu6 1 184 medium: 184 87 184 94 c25200_2mu6 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 4 1 1 "Not handling restraint 1, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 2 4 40 1 "Not handling restraint 40, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 3 4 41 1 "Not handling restraint 41, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 4 4 42 1 "Not handling restraint 42, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 5 4 42 1 "Not handling restraint 42, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 6 4 43 1 "Not handling restraint 43, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 7 4 44 1 "Not handling restraint 44, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 8 4 139 1 "Not handling restraint 139, item 1, resonance(s) '1.1.HN' (nmrStar names) not linked" c25200_2mu6 1 stop_ save_ save_Discover_dihedral_5 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Sf_framecode Discover_dihedral_5 _Torsion_angle_constraint_list.Entry_ID c25200_2mu6 _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 5 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 . . . . c25200_2mu6 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 1 1 LYS CA C . . 1 1 1 1 LYS C C . . 1 1 2 2 SER N N . . 1 1 2 2 SER CA C . 178.0 180.0 . . . A . 1 LYS CA . . A . 1 LYS C . . A . 2 SER N . . A . 2 SER CA . 1 . 1 LYS CA . . . 1 . 1 LYS C . . . 1 . 2 SER N . . . 1 . 2 SER CA . . c25200_2mu6 1 2 . . 1 1 2 2 SER CA C . . 1 1 2 2 SER C C . . 1 1 3 3 MET N N . . 1 1 3 3 MET CA C . 178.0 180.0 . . . A . 2 SER CA . . A . 2 SER C . . A . 3 MET N . . A . 3 MET CA . 1 . 2 SER CA . . . 1 . 2 SER C . . . 1 . 3 MET N . . . 1 . 3 MET CA . . c25200_2mu6 1 3 . . 1 1 3 3 MET CA C . . 1 1 3 3 MET C C . . 1 1 4 4 ILE N N . . 1 1 4 4 ILE CA C . 178.0 180.0 . . . A . 3 MET CA . . A . 3 MET C . . A . 4 ILE N . . A . 4 ILE CA . 1 . 3 MET CA . . . 1 . 3 MET C . . . 1 . 4 ILE N . . . 1 . 4 ILE CA . . c25200_2mu6 1 4 . . 1 1 4 4 ILE CA C . . 1 1 4 4 ILE C C . . 1 1 5 5 ASN N N . . 1 1 5 5 ASN CA C . 178.0 180.0 . . . A . 4 ILE CA . . A . 4 ILE C . . A . 5 ASN N . . A . 5 ASN CA . 1 . 4 ILE CA . . . 1 . 4 ILE C . . . 1 . 5 ASN N . . . 1 . 5 ASN CA . . c25200_2mu6 1 5 . . 1 1 5 5 ASN CA C . . 1 1 5 5 ASN C C . . 1 1 6 6 ALA N N . . 1 1 6 6 ALA CA C . 178.0 180.0 . . . A . 5 ASN CA . . A . 5 ASN C . . A . 6 ALA N . . A . 6 ALA CA . 1 . 5 ASN CA . . . 1 . 5 ASN C . . . 1 . 6 ALA N . . . 1 . 6 ALA CA . . c25200_2mu6 1 6 . . 1 1 6 6 ALA CA C . . 1 1 6 6 ALA C C . . 1 1 7 7 TYR N N . . 1 1 7 7 TYR CA C . 178.0 180.0 . . . A . 6 ALA CA . . A . 6 ALA C . . A . 7 TYR N . . A . 7 TYR CA . 1 . 6 ALA CA . . . 1 . 6 ALA C . . . 1 . 7 TYR N . . . 1 . 7 TYR CA . . c25200_2mu6 1 7 . . 1 1 7 7 TYR CA C . . 1 1 7 7 TYR C C . . 1 1 8 8 LEU N N . . 1 1 8 8 LEU CA C . 178.0 180.0 . . . A . 7 TYR CA . . A . 7 TYR C . . A . 8 LEU N . . A . 8 LEU CA . 1 . 7 TYR CA . . . 1 . 7 TYR C . . . 1 . 8 LEU N . . . 1 . 8 LEU CA . . c25200_2mu6 1 8 . . 1 1 8 8 LEU CA C . . 1 1 8 8 LEU C C . . 1 1 9 9 ASP N N . . 1 1 9 9 ASP CA C . 178.0 180.0 . . . A . 8 LEU CA . . A . 8 LEU C . . A . 9 ASP N . . A . 9 ASP CA . 1 . 8 LEU CA . . . 1 . 8 LEU C . . . 1 . 9 ASP N . . . 1 . 9 ASP CA . . c25200_2mu6 1 9 . . 1 1 9 9 ASP CA C . . 1 1 9 9 ASP C C . . 1 1 10 10 LYS N N . . 1 1 10 10 LYS CA C . 178.0 180.0 . . . A . 9 ASP CA . . A . 9 ASP C . . A . 10 LYS N . . A . 10 LYS CA . 1 . 9 ASP CA . . . 1 . 9 ASP C . . . 1 . 10 LYS N . . . 1 . 10 LYS CA . . c25200_2mu6 1 10 . . 1 1 10 10 LYS CA C . . 1 1 10 10 LYS C C . . 1 1 11 11 LEU N N . . 1 1 11 11 LEU CA C . 178.0 180.0 . . . A . 10 LYS CA . . A . 10 LYS C . . A . 11 LEU N . . A . 11 LEU CA . 1 . 10 LYS CA . . . 1 . 10 LYS C . . . 1 . 11 LEU N . . . 1 . 11 LEU CA . . c25200_2mu6 1 11 . . 1 1 11 11 LEU CA C . . 1 1 11 11 LEU C C . . 1 1 12 12 ASP N N . . 1 1 12 12 ASP CA C . 178.0 180.0 . . . A . 11 LEU CA . . A . 11 LEU C . . A . 12 ASP N . . A . 12 ASP CA . 1 . 11 LEU CA . . . 1 . 11 LEU C . . . 1 . 12 ASP N . . . 1 . 12 ASP CA . . c25200_2mu6 1 12 . . 1 1 12 12 ASP CA C . . 1 1 12 12 ASP C C . . 1 1 13 13 LEU N N . . 1 1 13 13 LEU CA C . 178.0 180.0 . . . A . 12 ASP CA . . A . 12 ASP C . . A . 13 LEU N . . A . 13 LEU CA . 1 . 12 ASP CA . . . 1 . 12 ASP C . . . 1 . 13 LEU N . . . 1 . 13 LEU CA . . c25200_2mu6 1 13 . . 1 1 13 13 LEU CA C . . 1 1 13 13 LEU C C . . 1 1 14 14 GLU N N . . 1 1 14 14 GLU CA C . 178.0 180.0 . . . A . 13 LEU CA . . A . 13 LEU C . . A . 14 GLU N . . A . 14 GLU CA . 1 . 13 LEU CA . . . 1 . 13 LEU C . . . 1 . 14 GLU N . . . 1 . 14 GLU CA . . c25200_2mu6 1 14 . . 1 1 14 14 GLU CA C . . 1 1 14 14 GLU C C . . 1 1 15 15 THR N N . . 1 1 15 15 THR CA C . 178.0 180.0 . . . A . 14 GLU CA . . A . 14 GLU C . . A . 15 THR N . . A . 15 THR CA . 1 . 14 GLU CA . . . 1 . 14 GLU C . . . 1 . 15 THR N . . . 1 . 15 THR CA . . c25200_2mu6 1 15 . . 1 1 15 15 THR CA C . . 1 1 15 15 THR C C . . 1 1 16 16 VAL N N . . 1 1 16 16 VAL CA C . 178.0 180.0 . . . A . 15 THR CA . . A . 15 THR C . . A . 16 VAL N . . A . 16 VAL CA . 1 . 15 THR CA . . . 1 . 15 THR C . . . 1 . 16 VAL N . . . 1 . 16 VAL CA . . c25200_2mu6 1 16 . . 1 1 16 16 VAL CA C . . 1 1 16 16 VAL C C . . 1 1 17 17 ARG N N . . 1 1 17 17 ARG CA C . 178.0 180.0 . . . A . 16 VAL CA . . A . 16 VAL C . . A . 17 ARG N . . A . 17 ARG CA . 1 . 16 VAL CA . . . 1 . 16 VAL C . . . 1 . 17 ARG N . . . 1 . 17 ARG CA . . c25200_2mu6 1 17 . . 1 1 17 17 ARG CA C . . 1 1 17 17 ARG C C . . 1 1 18 18 LYS N N . . 1 1 18 18 LYS CA C . 178.0 180.0 . . . A . 17 ARG CA . . A . 17 ARG C . . A . 18 LYS N . . A . 18 LYS CA . 1 . 17 ARG CA . . . 1 . 17 ARG C . . . 1 . 18 LYS N . . . 1 . 18 LYS CA . . c25200_2mu6 1 18 . . 1 1 18 18 LYS CA C . . 1 1 18 18 LYS C C . . 1 1 19 19 ILE N N . . 1 1 19 19 ILE CA C . 178.0 180.0 . . . A . 18 LYS CA . . A . 18 LYS C . . A . 19 ILE N . . A . 19 ILE CA . 1 . 18 LYS CA . . . 1 . 18 LYS C . . . 1 . 19 ILE N . . . 1 . 19 ILE CA . . c25200_2mu6 1 19 . . 1 1 19 19 ILE CA C . . 1 1 19 19 ILE C C . . 1 1 20 20 HIS N N . . 1 1 20 20 HIS CA C . 178.0 180.0 . . . A . 19 ILE CA . . A . 19 ILE C . . A . 20 HIS N . . A . 20 HIS CA . 1 . 19 ILE CA . . . 1 . 19 ILE C . . . 1 . 20 HIS N . . . 1 . 20 HIS CA . . c25200_2mu6 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 c25200_2mu6 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 c25200_2mu6 _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 04-SEP-14 2MU6 *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 476-495; *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 2MU6 0' save_